*HEADER    HYDROLASE                               02-SEP-06   2I8L              
*TITLE     SOLUTION STRUCTURE OF AN ENDOPEPTIDASE HYCI FROM                      
*TITLE    2 ESCHERICHIA COLI                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYDROGENASE 3 MATURATION PROTEASE;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ENDOPEPTIDASE HYCI;                                         
*COMPND   5 EC: 3.4.-.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET21A(+)                                 
*KEYWDS    ALPHA-BETA SANDWICH                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    F.YANG, W.HU, C.JIN                                                   
*REVDAT   1   05-DEC-06 2I8L    0                                                


# # 110 PHE HA 111 LEU HN 2.80 (# 1:10 Unique 2.24, 2.28 A) &rst ixpk= 1, nxpk= 10, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 61 VAL HA 111 LEU HN 3.50 (# 2:10 Unique 2.65, 2.75 A) &rst ixpk= 2, nxpk= 10, iat= 880,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 111 LEU HB+ 111 LEU HN 3.50 (# 3:10 Unique 2.42, 2.78 A) &rst ixpk= 3, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1660,1661, &end # # 0 AMB 10-2:4 111 LEU HN 4.50 (# 4:10 Single Ambig) &rst ixpk= 4, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 863, 869, 870, &end # # 111 LEU HB- 111 LEU HN 3.50 (# 5:10 Unique 2.42, 2.78 A) &rst ixpk= 5, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1660,1661, &end # # 0 AMB 10-2:6 111 LEU HN 3.50 (# 6:10 Single Ambig) &rst ixpk= 6, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669, 1670,1671, 865, 866, 867, &end # # 19 GLY HA+ 19 GLY HN 3.50 (# 7:10 Unique 2.29, 2.57 A) &rst ixpk= 7, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 244, 245, &end # # 19 GLY HA- 19 GLY HN 3.50 (# 8:10 Unique 2.29, 2.57 A) &rst ixpk= 8, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 244, 245, &end # # 20 PRO HD+ 19 GLY HN 4.50 (# 9:10 Unique 2.43, 2.82 A) &rst ixpk= 9, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 250, 251, &end # # 18 ALA MB 19 GLY HN 3.50 (# 10:10 Unique 2.40, 3.30 A) &rst ixpk= 10, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 236, 237, 238, &end # # 4 VAL HA 5 LEU HN 2.80 (# 11:10 Unique 2.13, 2.21 A) &rst ixpk= 11, nxpk= 10, iat= 49, 63, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 36 VAL HA 5 LEU HN 4.50 (# 12:10 Unique 2.58, 3.16 A) &rst ixpk= 12, nxpk= 10, iat= 488, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:13 5 LEU HN 2.80 (# 13:10 Single Ambig) &rst ixpk= 13, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 67, 68, 53, 54, 55, 57, 58, 59, &end # # 5 LEU HB+ 5 LEU HN 3.50 (# 15:10 Unique 2.28, 2.84 A) &rst ixpk= 15, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 67, 68, &end # # 62 ASP HA 63 ALA HN 2.80 (# 16:10 Unique 2.52, 2.56 A) &rst ixpk= 16, nxpk= 10, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 3 ASP HA 3 ASP HN 3.50 (# 17:10 Unique 2.96, 2.98 A) &rst ixpk= 17, nxpk= 10, iat= 37, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:18 0 AMB 10-1:18 2.80 (# 18:10 Double Ambig) &rst ixpk= 18, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 39, 40, 910, 911, 912, igr2= 35, 906, &end # # 2 THR HA 3 ASP HN 2.80 (# 19:10 Unique 2.22, 2.27 A) &rst ixpk= 19, nxpk= 10, iat= 23, 35, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 3 ASP HB+ 3 ASP HN 3.50 (# 20:10 Unique 2.20, 2.93 A) &rst ixpk= 20, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 2 THR MG2 3 ASP HN 3.50 (# 21:10 Unique 2.58, 3.89 A) &rst ixpk= 21, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 27, 28, 29, &end # # 58 LEU HA 59 LEU HN 2.80 (# 23:10 Unique 2.14, 2.24 A) &rst ixpk= 23, nxpk= 10, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 5 LEU HA 59 LEU HN 3.50 (# 24:10 Unique 2.59, 2.80 A) &rst ixpk= 24, nxpk= 10, iat= 65, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LEU HA 59 LEU HN 3.50 (# 25:10 Unique 2.93, 2.95 A) &rst ixpk= 25, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 LEU HB+ 59 LEU HN 3.50 (# 26:10 Unique 2.41, 2.92 A) &rst ixpk= 26, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 844, 845, &end # # 58 LEU MDY 59 LEU HN 3.50 (# 27:10 Unique 1.86, 4.20 A) &rst ixpk= 27, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 830, 831, 832, 834, 835, 836, &end # # 59 LEU HB- 59 LEU HN 3.50 (# 28:10 Unique 2.41, 2.92 A) &rst ixpk= 28, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 844, 845, &end # # 142 TRP HN 143 GLU HN 4.50 (# 29:10 Unique 2.62, 4.27 A) &rst ixpk= 29, nxpk= 10, iat=2151,2175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:30 143 GLU HN 4.50 (# 30:10 Single Ambig) &rst ixpk= 30, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2159, 459, &end # # 143 GLU HA 143 GLU HN 3.50 (# 31:10 Unique 2.29, 2.81 A) &rst ixpk= 31, nxpk= 10, iat=2177,2175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:32 143 GLU HN 3.50 (# 32:10 Single Ambig) &rst ixpk= 32, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2153,2146,2147, &end # # 0 AMB 10-2:33 143 GLU HN 4.50 (# 33:10 Single Ambig) &rst ixpk= 33, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2155,2156,2192,2193, &end # # 146 GLY HA+ 143 GLU HN 5.50 (# 34:10 Unique 1.80, 3.14 A) &rst ixpk= 34, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2213,2214, &end # # 143 GLU HG- 143 GLU HN 4.50 (# 35:10 Unique 2.22, 4.15 A) &rst ixpk= 35, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2182,2183, &end # # 0 AMB 10-2:36 143 GLU HN 3.50 (# 36:10 Single Ambig) &rst ixpk= 36, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2213,2214,2179,2180, &end # # 143 GLU HB- 143 GLU HN 3.50 (# 37:10 Unique 2.77, 3.31 A) &rst ixpk= 37, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2179,2180, &end # # 16 ASP HN 15 ASP HN 4.50 (# 38:10 Unique 2.56, 2.62 A) &rst ixpk= 38, nxpk= 10, iat= 213, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 ASP HA 15 ASP HN 3.50 (# 39:10 Unique 2.84, 2.88 A) &rst ixpk= 39, nxpk= 10, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 118 VAL HA 15 ASP HN 3.50 (# 40:10 Unique 2.45, 2.73 A) &rst ixpk= 40, nxpk= 10, iat=1765, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 GLY HA+ 15 ASP HN 3.50 (# 41:10 Unique 2.13, 2.71 A) &rst ixpk= 41, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 196, 197, &end # # 14 GLY HA- 15 ASP HN 3.50 (# 42:10 Unique 2.13, 2.71 A) &rst ixpk= 42, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 196, 197, &end # # 15 ASP HB- 15 ASP HN 3.50 (# 43:10 Unique 2.11, 2.94 A) &rst ixpk= 43, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 205, 206, &end # # 0 AMB 10-2:44 37 ILE HN 3.50 (# 44:10 Single Ambig) &rst ixpk= 44, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 101, 521, &end # # 6 LEU HA 37 ILE HN 3.50 (# 45:10 Unique 2.99, 3.19 A) &rst ixpk= 45, nxpk= 10, iat= 84, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 VAL HA 37 ILE HN 2.80 (# 46:10 Unique 2.07, 2.15 A) &rst ixpk= 46, nxpk= 10, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 37 ILE HA 37 ILE HN 3.50 (# 47:10 Unique 2.96, 2.97 A) &rst ixpk= 47, nxpk= 10, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:48 37 ILE HN 3.50 (# 48:10 Single Ambig) &rst ixpk= 48, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 506, 67, 68, &end # # 37 ILE HG1+ 37 ILE HN 3.50 (# 49:10 Unique 3.05, 3.55 A) &rst ixpk= 49, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 0 AMB 10-2:50 37 ILE HN 3.50 (# 50:10 Single Ambig) &rst ixpk= 50, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 512, 513, 476, 477, 478, 480, 481, 482, &end # # 36 VAL MGY 37 ILE HN 3.50 (# 51:10 Unique 2.74, 4.41 A) &rst ixpk= 51, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 492, 493, 494, 496, 497, 498, &end # # 36 VAL MGX 37 ILE HN 3.50 (# 52:10 Unique 2.74, 4.41 A) &rst ixpk= 52, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 10-2:53 37 ILE HN 3.50 (# 53:10 Single Ambig) &rst ixpk= 53, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 508, 509, 510, 91, 92, 93, 95, 96, 97, 515, 516, 517, &end # # 59 LEU HA 109 ILE HN 3.50 (# 54:10 Unique 2.67, 2.79 A) &rst ixpk= 54, nxpk= 10, iat= 842,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 VAL HA 109 ILE HN 2.80 (# 55:10 Unique 2.04, 2.10 A) &rst ixpk= 55, nxpk= 10, iat=1603,1617, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:56 109 ILE HN 3.50 (# 56:10 Single Ambig) &rst ixpk= 56, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 825, 826,1605,1590,1591, 801, 802, &end # # 109 ILE HB 109 ILE HN 3.50 (# 57:10 Unique 2.40, 2.71 A) &rst ixpk= 57, nxpk= 10, iat=1621,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:58 109 ILE HN 3.50 (# 58:10 Single Ambig) &rst ixpk= 58, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1627,1628, 804, 805, &end # # 109 ILE HG1- 109 ILE HN 3.50 (# 59:10 Unique 2.58, 3.66 A) &rst ixpk= 59, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1627,1628, &end # # 0 AMB 10-2:60 109 ILE HN 2.80 (# 60:10 Single Ambig) &rst ixpk= 60, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 830, 831, 832, 834, 835, 836, &end # # 59 LEU MDY 109 ILE HN 4.50 (# 61:10 Unique 4.25, 6.33 A) &rst ixpk= 61, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 10-2:62 109 ILE HN 4.50 (# 62:10 Single Ambig) &rst ixpk= 62, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 872, 873, 874, 847, &end # # 114 GLN HA 114 GLN HN 3.50 (# 63:10 Unique 2.77, 2.78 A) &rst ixpk= 63, nxpk= 10, iat=1703,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 ILE HA 114 GLN HN 2.80 (# 64:10 Unique 2.22, 2.23 A) &rst ixpk= 64, nxpk= 10, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:65 114 GLN HN 2.80 (# 65:10 Single Ambig) &rst ixpk= 65, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1705,1706,1705,1706, &end # # 66 MET ME 114 GLN HN 2.80 (# 66:10 Unique 2.11, 2.80 A) &rst ixpk= 66, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 953, 954, 955, &end # # 113 ILE QG2 114 GLN HN 3.50 (# 67:10 Unique 3.03, 3.68 A) &rst ixpk= 67, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1688,1689,1690, &end # # 139 LEU HA 34 TRP HE1 3.50 (# 68:10 Unique 2.93, 3.11 A) &rst ixpk= 68, nxpk= 10, iat=2112, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:69 34 TRP HE1 3.50 (# 69:10 Single Ambig) &rst ixpk= 69, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 427, 428, 427, 428,2131, &end # # 142 TRP HB+ 34 TRP HE1 4.50 (# 70:10 Unique 2.96, 4.06 A) &rst ixpk= 70, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 139 LEU HB+ 34 TRP HE1 3.50 (# 71:10 Unique 2.21, 3.88 A) &rst ixpk= 71, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 139 LEU MDX 34 TRP HE1 4.50 (# 72:10 Unique 3.18, 5.06 A) &rst ixpk= 72, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDY 34 TRP HE1 3.50 (# 73:10 Unique 3.18, 5.06 A) &rst ixpk= 73, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2119,2120,2121,2123,2124,2125, &end # # 34 TRP HD1 34 TRP HE1 2.80 (# 74:10 Unique 2.49, 2.53 A) &rst ixpk= 74, nxpk= 10, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:75 34 TRP HE1 3.50 (# 75:10 Single Ambig) &rst ixpk= 75, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 459,2159, &end # # 142 TRP HB- 34 TRP HE1 4.50 (# 76:10 Unique 2.96, 4.06 A) &rst ixpk= 76, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 139 LEU HB- 34 TRP HE1 3.50 (# 77:10 Unique 2.21, 3.88 A) &rst ixpk= 77, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 109 ILE HA 110 PHE HN 2.80 (# 78:10 Unique 2.19, 2.27 A) &rst ixpk= 78, nxpk= 10, iat=1619,1636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 110 PHE HB+ 110 PHE HN 3.50 (# 79:10 Unique 2.63, 2.86 A) &rst ixpk= 79, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1640,1641, &end # # 110 PHE HB- 110 PHE HN 3.50 (# 80:10 Unique 2.63, 2.86 A) &rst ixpk= 80, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1640,1641, &end # # 0 AMB 10-2:81 110 PHE HN 2.80 (# 81:10 Single Ambig) &rst ixpk= 81, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1623,1624,1625,1084,1085,1086, &end # # 77 ASP HA 77 ASP HN 3.50 (# 82:10 Unique 2.93, 2.97 A) &rst ixpk= 82, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 ILE HA 77 ASP HN 2.80 (# 83:10 Unique 2.12, 2.23 A) &rst ixpk= 83, nxpk= 10, iat=1099,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 77 ASP HB+ 77 ASP HN 2.80 (# 84:10 Unique 2.29, 2.67 A) &rst ixpk= 84, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1120,1121, &end # # 80 ASP HB+ 77 ASP HN 4.50 (# 85:10 Unique 2.59, 3.58 A) &rst ixpk= 85, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1158,1159, &end # # 77 ASP HB- 77 ASP HN 2.80 (# 86:10 Unique 2.29, 2.67 A) &rst ixpk= 86, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1120,1121, &end # # 76 ILE QG2 77 ASP HN 2.80 (# 87:10 Unique 1.95, 3.23 A) &rst ixpk= 87, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1103,1104,1105, &end # # 152 ALA HA 152 ALA HN 3.50 (# 88:10 Unique 2.83, 2.89 A) &rst ixpk= 88, nxpk= 10, iat=2293,2291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 151 LEU HA 152 ALA HN 2.80 (# 89:10 Unique 2.11, 2.17 A) &rst ixpk= 89, nxpk= 10, iat=2274,2291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 151 LEU HB+ 152 ALA HN 4.50 (# 90:10 Unique 3.79, 4.12 A) &rst ixpk= 90, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2276,2277, &end # # 151 LEU HG 152 ALA HN 4.50 (# 91:10 Unique 2.52, 3.19 A) &rst ixpk= 91, nxpk= 10, iat=2279,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 152 ALA MB 152 ALA HN 2.80 (# 92:10 Unique 2.83, 3.46 A) &rst ixpk= 92, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=2295,2296,2297, &end # # 151 LEU HB- 152 ALA HN 4.50 (# 93:10 Unique 3.79, 4.12 A) &rst ixpk= 93, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2276,2277, &end # # 151 LEU MDY 152 ALA HN 2.80 (# 94:10 Unique 1.80, 4.08 A) &rst ixpk= 94, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2281,2282,2283,2285,2286,2287, &end # # 151 LEU MDX 152 ALA HN 4.50 (# 95:10 Unique 1.80, 4.08 A) &rst ixpk= 95, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:96 0 AMB 10-1:96 3.50 (# 96:10 Double Ambig) &rst ixpk= 96, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 84, 842, igr2= 82,2161, &end # # 6 LEU HB+ 6 LEU HN 3.50 (# 97:10 Unique 2.42, 2.84 A) &rst ixpk= 97, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 86, 87, &end # # 0 AMB 10-2:98 0 AMB 10-1:98 4.50 (# 98:10 Double Ambig) &rst ixpk= 98, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1627,1628, 70, igr2=2161, 82, &end # # 0 AMB 10-2:99 0 AMB 10-1:99 3.50 (# 99:10 Double Ambig) &rst ixpk= 99, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 86, 87, 53, 54, 55, 57, 58, 59,1091,1092, 1093, igr2= 82,2161, &end # # 0 AMB 10-2:100 6 LEU HN 3.50 (# 100:10 Single Ambig) &rst ixpk= 100, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 830, 831, 832, 834, 835, 836, 53, 54, 55, 57, 58, 59, &end # # 0 AMB 10-2:101 6 LEU HN 3.50 (# 101:10 Single Ambig) &rst ixpk= 101, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 872, 873, 874, 884, 885, 886, 888, 889, 890, 91, 92, 93, 95, 96, 97, &end # # 0 AMB 10-2:102 0 AMB 10-1:102 4.50 (# 102:10 Double Ambig) &rst ixpk= 102, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 844, 845, 865, 866, 867, igr2=2161, 82, &end # # 5 LEU MDY 6 LEU HN 3.50 (# 103:10 Unique 2.13, 4.53 A) &rst ixpk= 103, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 72, 73, 74, 76, 77, 78, &end # # 36 VAL HA 36 VAL HN 3.50 (# 104:10 Unique 2.81, 2.87 A) &rst ixpk= 104, nxpk= 10, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 35 VAL HA 36 VAL HN 2.80 (# 105:10 Unique 2.11, 2.14 A) &rst ixpk= 105, nxpk= 10, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 36 VAL HB 36 VAL HN 2.80 (# 106:10 Unique 2.50, 2.58 A) &rst ixpk= 106, nxpk= 10, iat= 490, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:107 36 VAL HN 3.50 (# 107:10 Single Ambig) &rst ixpk= 107, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 476, 477, 478, 480, 481, 482, 512, 513, &end # # 36 VAL MGY 36 VAL HN 3.50 (# 108:10 Unique 1.85, 3.70 A) &rst ixpk= 108, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 492, 493, 494, 496, 497, 498, &end # # 36 VAL MGX 36 VAL HN 3.50 (# 109:10 Unique 1.85, 3.70 A) &rst ixpk= 109, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 10-2:111 142 TRP HE1 2.80 (# 111:10 Single Ambig) &rst ixpk= 111, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2159, 459, &end # # 0 AMB 10-2:112 0 AMB 10-1:112 3.50 (# 112:10 Double Ambig) &rst ixpk= 112, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 861,2199, igr2= 82,2161, &end # # 109 ILE QD1 142 TRP HE1 3.50 (# 113:10 Unique 2.16, 3.63 A) &rst ixpk= 113, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1630,1631,1632, &end # # 76 ILE QG2 76 ILE HN 4.50 (# 114:10 Unique 4.55, 4.82 A) &rst ixpk= 114, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1103,1104,1105, &end # # 114 GLN HE2- 66 MET HN 4.50 (# 116:10 Unique 1.95, 2.82 A) &rst ixpk= 116, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1713,1714, &end # # 68 LEU HN 66 MET HN 4.50 (# 117:10 Unique 3.24, 3.29 A) &rst ixpk= 117, nxpk= 10, iat= 966, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 ASP HA 66 MET HN 2.80 (# 118:10 Unique 2.10, 2.16 A) &rst ixpk= 118, nxpk= 10, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 66 MET HA 66 MET HN 3.50 (# 119:10 Unique 2.98, 2.99 A) &rst ixpk= 119, nxpk= 10, iat= 944, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 MET HG+ 66 MET HN 4.50 (# 120:10 Unique 2.76, 3.51 A) &rst ixpk= 120, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 949, 950, &end # # 66 MET HB+ 66 MET HN 3.50 (# 121:10 Unique 2.53, 3.14 A) &rst ixpk= 121, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 946, 947, &end # # 0 AMB 10-2:122 66 MET HN 3.50 (# 122:10 Single Ambig) &rst ixpk= 122, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 949, 950,1705,1706,1705,1706,1708,1709, &end # # 66 MET ME 66 MET HN 3.50 (# 123:10 Unique 2.55, 3.87 A) &rst ixpk= 123, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 953, 954, 955, &end # # 66 MET HB- 66 MET HN 3.50 (# 124:10 Unique 2.53, 3.14 A) &rst ixpk= 124, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 946, 947, &end # # 75 ILE HA 76 ILE HN 2.80 (# 125:10 Unique 2.13, 2.17 A) &rst ixpk= 125, nxpk= 10, iat=1080,1097, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:126 76 ILE HN 2.80 (# 126:10 Single Ambig) &rst ixpk= 126, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1107,1108,1101, &end # # 0 AMB 10-2:127 76 ILE HN 2.80 (# 127:10 Single Ambig) &rst ixpk= 127, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1084,1085,1086,1623,1624,1625, &end # # 75 ILE QD1 76 ILE HN 4.50 (# 128:10 Unique 3.86, 4.59 A) &rst ixpk= 128, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1091,1092,1093, &end # # 0 AMB 10-2:129 76 ILE HN 4.50 (# 129:10 Single Ambig) &rst ixpk= 129, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1110,1111,1112,1457,1458,1459, &end # # 4 VAL HA 35 VAL HN 3.50 (# 130:10 Unique 2.38, 2.64 A) &rst ixpk= 130, nxpk= 10, iat= 49, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 35 VAL HA 35 VAL HN 3.50 (# 131:10 Unique 2.78, 2.84 A) &rst ixpk= 131, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HA 35 VAL HN 2.80 (# 132:10 Unique 2.10, 2.18 A) &rst ixpk= 132, nxpk= 10, iat= 448, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 34 TRP HB+ 35 VAL HN 3.50 (# 133:10 Unique 2.88, 3.85 A) &rst ixpk= 133, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 450, 451, &end # # 35 VAL HB 35 VAL HN 2.80 (# 134:10 Unique 2.44, 2.60 A) &rst ixpk= 134, nxpk= 10, iat= 474, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 35 VAL MGX 35 VAL HN 2.80 (# 135:10 Unique 1.99, 3.77 A) &rst ixpk= 135, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 476, 477, 478, 480, 481, 482, &end # # 0 AMB 10-2:136 35 VAL HN 4.50 (# 136:10 Single Ambig) &rst ixpk= 136, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 53, 54, 55, 57, 58, 59, 67, 68, 735, 736, 737, 739, 740, 741, &end # # 59 LEU HA 60 ILE HN 2.80 (# 137:10 Unique 2.17, 2.25 A) &rst ixpk= 137, nxpk= 10, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:138 60 ILE HN 3.50 (# 138:10 Single Ambig) &rst ixpk= 138, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1638, 861, &end # # 0 AMB 10-2:139 60 ILE HN 4.50 (# 139:10 Single Ambig) &rst ixpk= 139, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1621,1660,1661, &end # # 0 AMB 10-2:140 60 ILE HN 2.80 (# 140:10 Single Ambig) &rst ixpk= 140, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 863, 869, 870, &end # # 0 AMB 10-2:141 60 ILE HN 4.50 (# 141:10 Single Ambig) &rst ixpk= 141, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1623,1624,1625,1660,1661,1630,1631,1632, &end # # 60 ILE HG1- 60 ILE HN 3.50 (# 142:10 Unique 2.62, 3.54 A) &rst ixpk= 142, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 869, 870, &end # # 0 AMB 10-2:143 60 ILE HN 3.50 (# 143:10 Single Ambig) &rst ixpk= 143, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 872, 873, 874, 847, &end # # 59 LEU MDY 60 ILE HN 3.50 (# 144:10 Unique 1.94, 4.29 A) &rst ixpk= 144, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 849, 850, 851, 853, 854, 855, &end # # 155 GLU HN 156 GLU HN 4.50 (# 145:10 Unique 2.19, 4.02 A) &rst ixpk= 145, nxpk= 10, iat=2332,2347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 155 GLU HA 156 GLU HN 3.50 (# 146:10 Unique 2.34, 2.49 A) &rst ixpk= 146, nxpk= 10, iat=2334,2347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:147 156 GLU HN 4.50 (# 147:10 Single Ambig) &rst ixpk= 147, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2336,2337,2321,2322, &end # # 0 AMB 10-2:148 156 GLU HN 3.50 (# 148:10 Single Ambig) &rst ixpk= 148, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2336,2337,2351,2352,2321,2322, &end # # 58 LEU HA 58 LEU HN 3.50 (# 149:10 Unique 2.97, 2.98 A) &rst ixpk= 149, nxpk= 10, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:150 58 LEU HN 2.80 (# 150:10 Single Ambig) &rst ixpk= 150, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 801, 802, 825, 826, &end # # 0 AMB 10-2:151 58 LEU HN 3.50 (# 151:10 Single Ambig) &rst ixpk= 151, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 804, 805, 804, 805, &end # # 0 AMB 10-2:152 58 LEU HN 3.50 (# 152:10 Single Ambig) &rst ixpk= 152, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 53, 54, 55, 57, 58, 59, 830, 831, 832, 834, 835, 836, &end # # 57 ARG HA 58 LEU HN 2.80 (# 153:10 Unique 2.09, 2.24 A) &rst ixpk= 153, nxpk= 10, iat= 799, 821, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 105 ILE QG2 58 LEU HN 3.50 (# 154:10 Unique 2.82, 3.49 A) &rst ixpk= 154, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1566,1567,1568, &end # # 38 ASP HA 38 ASP HN 3.50 (# 155:10 Unique 2.98, 2.99 A) &rst ixpk= 155, nxpk= 10, iat= 523, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HA 38 ASP HN 2.80 (# 156:10 Unique 2.31, 2.35 A) &rst ixpk= 156, nxpk= 10, iat= 504, 521, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 38 ASP HB+ 38 ASP HN 2.80 (# 157:10 Unique 2.58, 3.02 A) &rst ixpk= 157, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 525, 526, &end # # 38 ASP HB- 38 ASP HN 3.50 (# 158:10 Unique 2.58, 3.02 A) &rst ixpk= 158, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 525, 526, &end # # 0 AMB 10-2:159 38 ASP HN 3.50 (# 159:10 Single Ambig) &rst ixpk= 159, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 508, 509, 510, 91, 92, 93, 95, 96, 97, &end # # 147 GLY HN 145 ASN HN 5.50 (# 160:10 Unique 2.95, 3.66 A) &rst ixpk= 160, nxpk= 10, iat=2218,2197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 ILE HN 151 LEU HN 3.50 (# 161:10 Unique 3.13, 3.25 A) &rst ixpk= 161, nxpk= 10, iat=1078,2272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 76 ILE HA 151 LEU HN 4.50 (# 162:10 Unique 3.53, 3.66 A) &rst ixpk= 162, nxpk= 10, iat=1099,2272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LEU HA 151 LEU HN 3.50 (# 163:10 Unique 2.77, 2.82 A) &rst ixpk= 163, nxpk= 10, iat=2274,2272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:164 151 LEU HN 3.50 (# 164:10 Single Ambig) &rst ixpk= 164, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2262,2263, 949, 950, &end # # 151 LEU HB+ 151 LEU HN 2.80 (# 165:10 Unique 2.26, 2.41 A) &rst ixpk= 165, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2276,2277, &end # # 74 ARG HB- 0 AMB 10-1:166 3.50 (# 166:10 Single Ambig) &rst ixpk= 166, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1058,1059, igr2=2272,1054, &end # # 0 AMB 10-2:167 151 LEU HN 3.50 (# 167:10 Single Ambig) &rst ixpk= 167, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1107,1108,2279,1088,1089, &end # # 58 LEU HB- 58 LEU HN 3.50 (# 168:10 Unique 2.53, 2.99 A) &rst ixpk= 168, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 825, 826, &end # # 0 AMB 10-2:169 151 LEU HN 3.50 (# 169:10 Single Ambig) &rst ixpk= 169, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287, &end # # 74 ARG HA 74 ARG HN 3.50 (# 170:10 Unique 2.94, 2.97 A) &rst ixpk= 170, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:171 0 AMB 10-1:171 2.80 (# 171:10 Double Ambig) &rst ixpk= 171, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2257,1037, igr2=2272,1054, &end # # 0 AMB 10-2:172 74 ARG HN 3.50 (# 172:10 Single Ambig) &rst ixpk= 172, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 953, 954, 955,1045,1046, &end # # 73 ILE HB 74 ARG HN 4.50 (# 173:10 Unique 4.12, 4.19 A) &rst ixpk= 173, nxpk= 10, iat=1039,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:174 74 ARG HN 3.50 (# 174:10 Single Ambig) &rst ixpk= 174, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1061,1062,1692,1693, &end # # 112 GLY HN 74 ARG HN 3.50 (# 175:10 Unique 3.24, 3.33 A) &rst ixpk= 175, nxpk= 10, iat=1675,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:176 74 ARG HN 4.50 (# 176:10 Single Ambig) &rst ixpk= 176, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1665,1666,1667,1669,1670,1671,1045,1046,1695,1696, 1697, &end # # 73 ILE QG2 74 ARG HN 3.50 (# 177:10 Unique 2.67, 3.54 A) &rst ixpk= 177, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1041,1042,1043, &end # # 107 GLU HA 108 VAL HN 2.80 (# 178:10 Unique 2.11, 2.16 A) &rst ixpk= 178, nxpk= 10, iat=1588,1601, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 107 GLU HG+ 108 VAL HN 3.50 (# 179:10 Unique 2.59, 3.41 A) &rst ixpk= 179, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1593,1594, &end # # 0 AMB 10-2:180 108 VAL HN 3.50 (# 180:10 Single Ambig) &rst ixpk= 180, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1593,1594,1590,1591, &end # # 0 AMB 10-2:181 108 VAL HN 3.50 (# 181:10 Single Ambig) &rst ixpk= 181, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1605,1590,1591, &end # # 0 AMB 10-2:182 108 VAL HN 2.80 (# 182:10 Single Ambig) &rst ixpk= 182, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, &end # # 108 VAL HA 108 VAL HN 3.50 (# 183:10 Unique 2.91, 2.97 A) &rst ixpk= 183, nxpk= 10, iat=1603,1601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 145 ASN HA 145 ASN HN 3.50 (# 184:10 Unique 2.26, 2.93 A) &rst ixpk= 184, nxpk= 10, iat=2199,2197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 146 GLY HN 145 ASN HN 3.50 (# 185:10 Unique 1.95, 2.30 A) &rst ixpk= 185, nxpk= 10, iat=2211,2197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:186 145 ASN HN 2.80 (# 186:10 Single Ambig) &rst ixpk= 186, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2192,2193,2192,2193, &end # # 145 ASN HB+ 145 ASN HN 3.50 (# 187:10 Unique 2.18, 3.04 A) &rst ixpk= 187, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2201,2202, &end # # 145 ASN HB- 145 ASN HN 3.50 (# 188:10 Unique 2.18, 3.04 A) &rst ixpk= 188, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2201,2202, &end # # 118 VAL HA 118 VAL HN 3.50 (# 189:10 Unique 2.71, 2.92 A) &rst ixpk= 189, nxpk= 10, iat=1765,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 ILE HA 118 VAL HN 3.50 (# 190:10 Unique 2.19, 2.28 A) &rst ixpk= 190, nxpk= 10, iat=1746,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 118 VAL HB 118 VAL HN 2.80 (# 191:10 Unique 1.95, 2.74 A) &rst ixpk= 191, nxpk= 10, iat=1767,1763, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 117 ILE HB 118 VAL HN 5.50 (# 192:10 Unique 3.06, 3.46 A) &rst ixpk= 192, nxpk= 10, iat=1748,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 VAL MGY 118 VAL HN 3.50 (# 193:10 Unique 2.10, 4.37 A) &rst ixpk= 193, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1769,1770,1771,1773,1774,1775, &end # # 118 VAL MGX 118 VAL HN 3.50 (# 194:10 Unique 2.10, 4.37 A) &rst ixpk= 194, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1769,1770,1771,1773,1774,1775, &end # # 117 ILE QD1 118 VAL HN 3.50 (# 195:10 Unique 2.79, 4.27 A) &rst ixpk= 195, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1757,1758,1759, &end # # 124 MET ME 18 ALA HN 3.50 (# 196:10 Unique 3.25, 4.11 A) &rst ixpk= 196, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1873,1874,1875, &end # # 17 GLY HN 18 ALA HN 3.50 (# 197:10 Unique 2.84, 3.11 A) &rst ixpk= 197, nxpk= 10, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:198 18 ALA HN 2.80 (# 198:10 Single Ambig) &rst ixpk= 198, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 234, 227, 228, 227, 228, &end # # 0 AMB 10-2:199 18 ALA HN 3.50 (# 199:10 Single Ambig) &rst ixpk= 199, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 910, 911, 912, 267, 268, &end # # 18 ALA MB 18 ALA HN 2.80 (# 200:10 Unique 2.41, 2.84 A) &rst ixpk= 200, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 236, 237, 238, &end # # 0 AMB 10-2:201 18 ALA HN 4.50 (# 201:10 Single Ambig) &rst ixpk= 201, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1993,1994,1995,1997,1998,1999,1934,1935, &end # # 130 ASP HN 131 ALA HN 3.50 (# 202:10 Unique 2.65, 2.69 A) &rst ixpk= 202, nxpk= 10, iat=1965,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 VAL HN 131 ALA HN 3.50 (# 203:10 Unique 2.79, 2.82 A) &rst ixpk= 203, nxpk= 10, iat=1987,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 130 ASP HA 131 ALA HN 3.50 (# 204:10 Unique 3.54, 3.55 A) &rst ixpk= 204, nxpk= 10, iat=1967,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 ALA HA 131 ALA HN 3.50 (# 205:10 Unique 2.82, 2.83 A) &rst ixpk= 205, nxpk= 10, iat=1979,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 ILE HA 131 ALA HN 3.50 (# 206:10 Unique 3.13, 3.19 A) &rst ixpk= 206, nxpk= 10, iat=1926,1977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:207 131 ALA HN 2.80 (# 207:10 Single Ambig) &rst ixpk= 207, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1969,1970,1969,1970, &end # # 131 ALA MB 131 ALA HN 2.80 (# 208:10 Unique 2.34, 2.86 A) &rst ixpk= 208, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1981,1982,1983, &end # # 0 AMB 10-2:209 131 ALA HN 4.50 (# 209:10 Single Ambig) &rst ixpk= 209, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1993,1994,1995,1997,1998,1999,1934,1935, &end # # 0 AMB 10-2:210 131 ALA HN 4.50 (# 210:10 Single Ambig) &rst ixpk= 210, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1048,1049,1050,1937,1938,1939, &end # # 6 LEU HA 7 CYS HN 2.80 (# 211:10 Unique 2.13, 2.16 A) &rst ixpk= 211, nxpk= 10, iat= 84, 101, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 7 CYS HA 7 CYS HN 3.50 (# 212:10 Unique 2.91, 2.93 A) &rst ixpk= 212, nxpk= 10, iat= 103, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 ASP HA 7 CYS HN 3.50 (# 213:10 Unique 2.41, 2.59 A) &rst ixpk= 213, nxpk= 10, iat= 523, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 CYS HB+ 7 CYS HN 3.50 (# 214:10 Unique 2.17, 3.01 A) &rst ixpk= 214, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 105, 106, &end # # 7 CYS HB- 7 CYS HN 3.50 (# 215:10 Unique 2.17, 3.01 A) &rst ixpk= 215, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 105, 106, &end # # 0 AMB 10-2:216 7 CYS HN 4.50 (# 216:10 Single Ambig) &rst ixpk= 216, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 506, 67, 68, &end # # 6 LEU MDY 7 CYS HN 3.50 (# 218:10 Unique 2.57, 4.92 A) &rst ixpk= 218, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 10-2:219 7 CYS HN 3.50 (# 219:10 Single Ambig) &rst ixpk= 219, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510, &end # # 154 GLU HA 154 GLU HN 3.50 (# 220:10 Unique 2.78, 2.85 A) &rst ixpk= 220, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 153 VAL HA 154 GLU HN 3.50 (# 221:10 Unique 2.44, 2.58 A) &rst ixpk= 221, nxpk= 10, iat=2303,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:222 154 GLU HN 3.50 (# 222:10 Single Ambig) &rst ixpk= 222, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2324,2325,2324,2325, &end # # 0 AMB 10-2:223 154 GLU HN 3.50 (# 223:10 Single Ambig) &rst ixpk= 223, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2321,2322,2305, &end # # 154 GLU HB- 154 GLU HN 3.50 (# 224:10 Unique 2.27, 2.89 A) &rst ixpk= 224, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2321,2322, &end # # 152 ALA MB 154 GLU HN 5.50 (# 225:10 Unique 3.23, 4.61 A) &rst ixpk= 225, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2295,2296,2297, &end # # 0 AMB 10-2:226 154 GLU HN 3.50 (# 226:10 Single Ambig) &rst ixpk= 226, nxpk= 10, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 64 THR MG2 65 ASP HN 3.50 (# 227:10 Unique 2.42, 3.28 A) &rst ixpk= 227, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 922, 923, 924, &end # # 60 ILE HA 61 VAL HN 2.80 (# 228:10 Unique 2.29, 2.39 A) &rst ixpk= 228, nxpk= 10, iat= 861, 878, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 61 VAL HA 61 VAL HN 3.50 (# 229:10 Unique 2.97, 2.97 A) &rst ixpk= 229, nxpk= 10, iat= 880, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 CYS HA 61 VAL HN 3.50 (# 230:10 Unique 2.89, 3.05 A) &rst ixpk= 230, nxpk= 10, iat= 103, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 61 VAL HB 61 VAL HN 3.50 (# 231:10 Unique 2.81, 2.86 A) &rst ixpk= 231, nxpk= 10, iat= 882, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:232 61 VAL HN 4.50 (# 232:10 Single Ambig) &rst ixpk= 232, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 869, 870, 830, 831, 832, 834, 835, 836,2038,2039, 2040,2042,2043,2044, &end # # 61 VAL MGY 61 VAL HN 3.50 (# 233:10 Unique 3.00, 4.30 A) &rst ixpk= 233, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 884, 885, 886, 888, 889, 890, &end # # 65 ASP HA 65 ASP HN 3.50 (# 234:10 Unique 2.90, 2.91 A) &rst ixpk= 234, nxpk= 10, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:235 65 ASP HN 2.80 (# 235:10 Single Ambig) &rst ixpk= 235, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 918,1285, &end # # 0 AMB 10-2:236 65 ASP HN 4.50 (# 236:10 Single Ambig) &rst ixpk= 236, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 920,1719,1720, &end # # 65 ASP HB+ 65 ASP HN 2.80 (# 237:10 Unique 2.42, 2.55 A) &rst ixpk= 237, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 934, 935, &end # # 65 ASP HB- 65 ASP HN 3.50 (# 238:10 Unique 2.42, 2.55 A) &rst ixpk= 238, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 934, 935, &end # # 41 SER HN 42 ALA HN 2.80 (# 239:10 Unique 1.64, 2.70 A) &rst ixpk= 239, nxpk= 10, iat= 547, 558, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 42 ALA HA 42 ALA HN 3.50 (# 240:10 Unique 2.86, 2.94 A) &rst ixpk= 240, nxpk= 10, iat= 560, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:241 42 ALA HN 3.50 (# 241:10 Single Ambig) &rst ixpk= 241, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 549, 578, &end # # 41 SER HB+ 42 ALA HN 4.50 (# 242:10 Unique 3.91, 4.53 A) &rst ixpk= 242, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 551, 552, &end # # 40 GLY HA- 42 ALA HN 3.50 (# 243:10 Unique 3.37, 3.96 A) &rst ixpk= 243, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 542, 543, &end # # 0 AMB 10-2:244 42 ALA HN 3.50 (# 244:10 Single Ambig) &rst ixpk= 244, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 569, 570, 551, 552, &end # # 0 AMB 10-2:245 42 ALA HN 3.50 (# 245:10 Single Ambig) &rst ixpk= 245, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 569, 570, 535, 536, &end # # 42 ALA MB 42 ALA HN 2.80 (# 246:10 Unique 2.65, 3.38 A) &rst ixpk= 246, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 562, 563, 564, &end # # 148 PHE HD 149 ALA HN 3.50 (# 247:10 Unique 3.29, 4.59 A) &rst ixpk= 247, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2233,2241, &end # # 148 PHE HA 149 ALA HN 2.80 (# 248:10 Unique 2.14, 2.26 A) &rst ixpk= 248, nxpk= 10, iat=2227,2245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 149 ALA HA 149 ALA HN 3.50 (# 249:10 Unique 2.89, 2.94 A) &rst ixpk= 249, nxpk= 10, iat=2247,2245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 148 PHE HB+ 149 ALA HN 3.50 (# 250:10 Unique 2.19, 3.25 A) &rst ixpk= 250, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2229,2230, &end # # 148 PHE HB- 149 ALA HN 3.50 (# 251:10 Unique 2.19, 3.25 A) &rst ixpk= 251, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2229,2230, &end # # 0 AMB 10-2:252 149 ALA HN 2.80 (# 252:10 Single Ambig) &rst ixpk= 252, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=2249,2250,2251,1088,1089, &end # # 58 LEU HA 4 VAL HN 3.50 (# 254:10 Unique 2.49, 2.70 A) &rst ixpk= 254, nxpk= 10, iat= 823, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 ASP HA 4 VAL HN 2.80 (# 255:10 Unique 2.17, 2.27 A) &rst ixpk= 255, nxpk= 10, iat= 37, 47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 4 VAL HB 4 VAL HN 3.50 (# 256:10 Unique 2.53, 2.73 A) &rst ixpk= 256, nxpk= 10, iat= 51, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:257 4 VAL HN 3.50 (# 257:10 Single Ambig) &rst ixpk= 257, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 776, 777, 801, 802, &end # # 3 ASP HB- 4 VAL HN 4.50 (# 258:10 Unique 2.96, 3.77 A) &rst ixpk= 258, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 39, 40, &end # # 4 VAL MGY 4 VAL HN 3.50 (# 259:10 Unique 2.18, 4.18 A) &rst ixpk= 259, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 53, 54, 55, 57, 58, 59, &end # # 4 VAL MGX 4 VAL HN 3.50 (# 260:10 Unique 2.18, 4.18 A) &rst ixpk= 260, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 53, 54, 55, 57, 58, 59, &end # # 154 GLU HA 155 GLU HN 2.80 (# 261:10 Unique 2.22, 2.44 A) &rst ixpk= 261, nxpk= 10, iat=2319,2332, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:262 155 GLU HN 3.50 (# 262:10 Single Ambig) &rst ixpk= 262, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2324,2325,2324,2325,2339,2340,2339,2340, &end # # 0 AMB 10-2:263 155 GLU HN 3.50 (# 263:10 Single Ambig) &rst ixpk= 263, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2321,2322,2336,2337, &end # # 0 AMB 10-2:264 155 GLU HN 3.50 (# 264:10 Single Ambig) &rst ixpk= 264, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2321,2322,2336,2337, &end # # 156 GLU HN 155 GLU HN 4.50 (# 265:10 Unique 2.19, 4.02 A) &rst ixpk= 265, nxpk= 10, iat=2347,2332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 THR HB 126 GLN HN 2.80 (# 266:10 Unique 2.69, 2.84 A) &rst ixpk= 266, nxpk= 10, iat=1883,1893, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 125 THR HA 126 GLN HN 2.80 (# 267:10 Unique 2.21, 2.32 A) &rst ixpk= 267, nxpk= 10, iat=1881,1893, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:268 126 GLN HN 2.80 (# 268:10 Single Ambig) &rst ixpk= 268, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1911,1912,1895, &end # # 127 PRO HD- 126 GLN HN 3.50 (# 269:10 Unique 2.35, 3.00 A) &rst ixpk= 269, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1911,1912, &end # # 0 AMB 10-2:270 126 GLN HN 3.50 (# 270:10 Single Ambig) &rst ixpk= 270, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1900,1901,1900,1901, &end # # 126 GLN HB+ 126 GLN HN 2.80 (# 271:10 Unique 2.13, 2.40 A) &rst ixpk= 271, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1897,1898, &end # # 125 THR MG2 126 GLN HN 4.50 (# 272:10 Unique 2.38, 4.40 A) &rst ixpk= 272, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1885,1886,1887, &end # # 0 AMB 10-2:273 8 VAL HN 4.50 (# 273:10 Single Ambig) &rst ixpk= 273, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 896, 861, &end # # 7 CYS HA 8 VAL HN 2.80 (# 274:10 Unique 2.19, 2.26 A) &rst ixpk= 274, nxpk= 10, iat= 103, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 VAL HA 8 VAL HN 3.50 (# 275:10 Unique 2.95, 2.97 A) &rst ixpk= 275, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 GLY HA+ 8 VAL HN 4.50 (# 276:10 Unique 1.83, 2.55 A) &rst ixpk= 276, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 244, 245, &end # # 0 AMB 10-2:277 8 VAL HN 3.50 (# 277:10 Single Ambig) &rst ixpk= 277, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 105, 106, 898, 899, &end # # 8 VAL HB 8 VAL HN 2.80 (# 278:10 Unique 2.70, 2.77 A) &rst ixpk= 278, nxpk= 10, iat= 116, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 VAL MGY 8 VAL HN 3.50 (# 279:10 Unique 2.98, 4.30 A) &rst ixpk= 279, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGX 8 VAL HN 3.50 (# 280:10 Unique 2.98, 4.30 A) &rst ixpk= 280, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 10-2:281 125 THR HN 2.80 (# 281:10 Single Ambig) &rst ixpk= 281, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1864,1881, &end # # 124 MET HG- 125 THR HN 3.50 (# 282:10 Unique 2.64, 2.94 A) &rst ixpk= 282, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1869,1870, &end # # 124 MET HG+ 125 THR HN 3.50 (# 283:10 Unique 2.64, 2.94 A) &rst ixpk= 283, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1869,1870, &end # # 125 THR MG2 125 THR HN 3.50 (# 284:10 Unique 2.31, 3.54 A) &rst ixpk= 284, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1885,1886,1887, &end # # 83 GLU HN 82 ALA HN 3.50 (# 285:10 Unique 2.94, 3.00 A) &rst ixpk= 285, nxpk= 10, iat=1195,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HN 82 ALA HN 3.50 (# 286:10 Unique 2.66, 2.72 A) &rst ixpk= 286, nxpk= 10, iat=1166,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 ALA HA 82 ALA HN 3.50 (# 287:10 Unique 2.73, 2.74 A) &rst ixpk= 287, nxpk= 10, iat=1187,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HA 82 ALA HN 3.50 (# 288:10 Unique 3.52, 3.53 A) &rst ixpk= 288, nxpk= 10, iat=1168,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HB 82 ALA HN 3.50 (# 289:10 Unique 2.47, 2.60 A) &rst ixpk= 289, nxpk= 10, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 ALA MB 82 ALA HN 2.80 (# 290:10 Unique 2.36, 2.83 A) &rst ixpk= 290, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1189,1190,1191, &end # # 81 ILE HG1- 82 ALA HN 4.50 (# 291:10 Unique 4.22, 4.66 A) &rst ixpk= 291, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 81 ILE QG2 82 ALA HN 3.50 (# 292:10 Unique 3.32, 4.20 A) &rst ixpk= 292, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1172,1173,1174, &end # # 0 AMB 10-2:293 25 LYS HN 2.80 (# 293:10 Single Ambig) &rst ixpk= 293, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 328, 284, 303, &end # # 0 AMB 10-2:294 25 LYS HN 3.50 (# 294:10 Single Ambig) &rst ixpk= 294, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 315, 316, 315, 316, &end # # 0 AMB 10-2:295 25 LYS HN 2.80 (# 295:10 Single Ambig) &rst ixpk= 295, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 333, 334, 330, 331, &end # # 25 LYS HG+ 25 LYS HN 3.50 (# 296:10 Unique 2.22, 2.87 A) &rst ixpk= 296, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 333, 334, &end # # 25 LYS HD- 25 LYS HN 4.50 (# 297:10 Unique 3.83, 4.44 A) &rst ixpk= 297, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 336, 337, &end # # 25 LYS HB+ 25 LYS HN 3.50 (# 298:10 Unique 2.48, 3.08 A) &rst ixpk= 298, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 330, 331, &end # # 130 ASP HN 129 LYS HN 3.50 (# 299:10 Unique 2.73, 2.80 A) &rst ixpk= 299, nxpk= 10, iat=1965,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 128 ILE HN 129 LYS HN 3.50 (# 300:10 Unique 2.56, 2.63 A) &rst ixpk= 300, nxpk= 10, iat=1924,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:301 129 LYS HN 3.50 (# 301:10 Single Ambig) &rst ixpk= 301, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1895,1911,1912, &end # # 128 ILE HA 129 LYS HN 3.50 (# 302:10 Unique 3.59, 3.61 A) &rst ixpk= 302, nxpk= 10, iat=1926,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:303 129 LYS HN 3.50 (# 303:10 Single Ambig) &rst ixpk= 303, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1945,1911,1912, &end # # 0 AMB 10-2:304 129 LYS HN 3.50 (# 304:10 Single Ambig) &rst ixpk= 304, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1869,1870,1969,1970, &end # # 128 ILE HB 129 LYS HN 3.50 (# 305:10 Unique 2.74, 2.90 A) &rst ixpk= 305, nxpk= 10, iat=1928,1943, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HB+ 129 LYS HN 3.50 (# 306:10 Unique 2.08, 3.02 A) &rst ixpk= 306, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1947,1948, &end # # 129 LYS HB- 129 LYS HN 3.50 (# 307:10 Unique 2.08, 3.02 A) &rst ixpk= 307, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1947,1948, &end # # 0 AMB 10-2:308 129 LYS HN 3.50 (# 308:10 Single Ambig) &rst ixpk= 308, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1953,1954,1866,1867,1981,1982,1983,1934,1935, &end # # 0 AMB 10-2:309 129 LYS HN 2.80 (# 309:10 Single Ambig) &rst ixpk= 309, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1950,1951,1950,1951, &end # # 128 ILE QG2 129 LYS HN 3.50 (# 310:10 Unique 3.50, 4.36 A) &rst ixpk= 310, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1930,1931,1932, &end # # 128 ILE QD1 129 LYS HN 4.50 (# 311:10 Unique 4.43, 5.20 A) &rst ixpk= 311, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1937,1938,1939, &end # # 121 TYR HN 122 TYR HN 3.50 (# 312:10 Unique 1.78, 2.66 A) &rst ixpk= 312, nxpk= 10, iat=1806,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 TYR HD 122 TYR HN 4.50 (# 313:10 Unique 2.54, 3.93 A) &rst ixpk= 313, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1835,1844, &end # # 0 AMB 10-2:314 122 TYR HN 3.50 (# 314:10 Single Ambig) &rst ixpk= 314, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1829,1788, &end # # 121 TYR HA 122 TYR HN 3.50 (# 315:10 Unique 2.55, 3.13 A) &rst ixpk= 315, nxpk= 10, iat=1808,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 122 TYR HB+ 122 TYR HN 3.50 (# 316:10 Unique 2.20, 2.95 A) &rst ixpk= 316, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1831,1832, &end # # 122 TYR HB- 122 TYR HN 2.80 (# 317:10 Unique 2.20, 2.95 A) &rst ixpk= 317, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1831,1832, &end # # 24 GLU HN 25 LYS HN 3.50 (# 318:10 Unique 2.65, 2.70 A) &rst ixpk= 318, nxpk= 10, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:319 25 LYS HN 3.50 (# 319:10 Single Ambig) &rst ixpk= 319, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 348, 359, &end # # 0 AMB 10-2:320 62 ASP HN 4.50 (# 320:10 Single Ambig) &rst ixpk= 320, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1677,1678, 908, &end # # 62 ASP HA 62 ASP HN 3.50 (# 321:10 Unique 2.85, 2.87 A) &rst ixpk= 321, nxpk= 10, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 62 ASP HB- 62 ASP HN 3.50 (# 322:10 Unique 3.01, 3.27 A) &rst ixpk= 322, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 898, 899, &end # # 61 VAL MGX 62 ASP HN 3.50 (# 323:10 Unique 2.58, 4.23 A) &rst ixpk= 323, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 10-2:324 62 ASP HN 3.50 (# 324:10 Single Ambig) &rst ixpk= 324, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669, 1670,1671, &end # # 0 AMB 10-2:325 60 ILE HN 3.50 (# 325:10 Single Ambig) &rst ixpk= 325, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 844, 845, 865, 866, 867, &end # # 50 ILE HN 49 ALA HN 3.50 (# 326:10 Unique 2.59, 2.66 A) &rst ixpk= 326, nxpk= 10, iat= 668, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 48 VAL HN 49 ALA HN 3.50 (# 327:10 Unique 2.76, 2.80 A) &rst ixpk= 327, nxpk= 10, iat= 642, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 46 ASP HA 49 ALA HN 3.50 (# 328:10 Unique 2.73, 2.87 A) &rst ixpk= 328, nxpk= 10, iat= 613, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 ALA HA 49 ALA HN 2.80 (# 329:10 Unique 2.83, 2.85 A) &rst ixpk= 329, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:330 49 ALA HN 3.50 (# 330:10 Single Ambig) &rst ixpk= 330, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 644, 625, 670, &end # # 48 VAL HB 49 ALA HN 2.80 (# 331:10 Unique 2.69, 2.76 A) &rst ixpk= 331, nxpk= 10, iat= 646, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:332 49 ALA HN 4.50 (# 332:10 Single Ambig) &rst ixpk= 332, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 672, 627, 733, &end # # 49 ALA MB 49 ALA HN 2.80 (# 333:10 Unique 2.47, 2.89 A) &rst ixpk= 333, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 662, 663, 664, &end # # 48 VAL MGY 49 ALA HN 3.50 (# 334:10 Unique 3.86, 4.71 A) &rst ixpk= 334, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 648, 649, 650, 652, 653, 654, &end # # 48 VAL MGX 49 ALA HN 3.50 (# 335:10 Unique 3.86, 4.71 A) &rst ixpk= 335, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 648, 649, 650, 652, 653, 654, &end # # 123 PRO HA 124 MET HN 2.80 (# 336:10 Unique 2.23, 2.33 A) &rst ixpk= 336, nxpk= 10, iat=1858,1862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 124 MET HA 124 MET HN 3.50 (# 337:10 Unique 2.83, 2.91 A) &rst ixpk= 337, nxpk= 10, iat=1864,1862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 123 PRO HB+ 124 MET HN 3.50 (# 338:10 Unique 2.92, 3.49 A) &rst ixpk= 338, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1855,1856, &end # # 124 MET HB+ 124 MET HN 2.80 (# 339:10 Unique 2.26, 2.53 A) &rst ixpk= 339, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1866,1867, &end # # 123 PRO HB- 124 MET HN 3.50 (# 340:10 Unique 2.92, 3.49 A) &rst ixpk= 340, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1855,1856, &end # # 124 MET HB- 124 MET HN 2.80 (# 341:10 Unique 2.26, 2.53 A) &rst ixpk= 341, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1866,1867, &end # # 61 VAL HA 62 ASP HN 2.80 (# 342:10 Unique 2.20, 2.24 A) &rst ixpk= 342, nxpk= 10, iat= 880, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 62 ASP HB+ 62 ASP HN 3.50 (# 343:10 Unique 3.01, 3.27 A) &rst ixpk= 343, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 898, 899, &end # # 21 LEU HA 22 LEU HN 4.50 (# 344:10 Unique 3.61, 3.67 A) &rst ixpk= 344, nxpk= 10, iat= 265, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 LEU HA 22 LEU HN 3.50 (# 345:10 Unique 2.89, 2.90 A) &rst ixpk= 345, nxpk= 10, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 LEU HB+ 22 LEU HN 2.80 (# 346:10 Unique 2.00, 2.68 A) &rst ixpk= 346, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 286, 287, &end # # 21 LEU HB+ 22 LEU HN 3.50 (# 347:10 Unique 2.83, 3.52 A) &rst ixpk= 347, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 267, 268, &end # # 22 LEU HG 22 LEU HN 4.50 (# 348:10 Unique 3.20, 3.52 A) &rst ixpk= 348, nxpk= 10, iat= 289, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:349 22 LEU HN 2.80 (# 349:10 Single Ambig) &rst ixpk= 349, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 267, 268, 270, &end # # 22 LEU HB- 22 LEU HN 2.80 (# 350:10 Unique 2.00, 2.68 A) &rst ixpk= 350, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 286, 287, &end # # 0 AMB 10-2:351 22 LEU HN 3.50 (# 351:10 Single Ambig) &rst ixpk= 351, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, &end # # 21 LEU MDY 22 LEU HN 4.50 (# 352:10 Unique 3.91, 5.43 A) &rst ixpk= 352, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 10-2:353 22 LEU HN 3.50 (# 353:10 Single Ambig) &rst ixpk= 353, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, &end # # 30 PRO HB- 31 LYS HN 3.50 (# 354:10 Unique 2.78, 3.52 A) &rst ixpk= 354, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 396, 397, &end # # 0 AMB 10-2:355 31 LYS HN 2.80 (# 355:10 Single Ambig) &rst ixpk= 355, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 399, 405, &end # # 26 CYS HA 31 LYS HN 4.50 (# 356:10 Unique 3.20, 3.91 A) &rst ixpk= 356, nxpk= 10, iat= 350, 403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 PRO HB+ 31 LYS HN 3.50 (# 357:10 Unique 2.78, 3.52 A) &rst ixpk= 357, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 396, 397, &end # # 0 AMB 10-2:358 31 LYS HN 3.50 (# 358:10 Single Ambig) &rst ixpk= 358, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 407, 408, 413, 414, &end # # 31 LYS HB- 31 LYS HN 3.50 (# 359:10 Unique 2.24, 3.07 A) &rst ixpk= 359, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 407, 408, &end # # 31 LYS HG+ 31 LYS HN 3.50 (# 360:10 Unique 1.79, 2.96 A) &rst ixpk= 360, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 410, 411, &end # # 0 AMB 10-2:361 120 PHE HN 5.50 (# 361:10 Single Ambig) &rst ixpk= 361, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 188, 189, 190, 181, 182, &end # # 120 PHE HA 120 PHE HN 3.50 (# 362:10 Unique 2.83, 2.87 A) &rst ixpk= 362, nxpk= 10, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 119 GLY HA+ 120 PHE HN 2.80 (# 363:10 Unique 2.33, 2.69 A) &rst ixpk= 363, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1781,1782, &end # # 119 GLY HA- 120 PHE HN 3.50 (# 364:10 Unique 2.33, 2.69 A) &rst ixpk= 364, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1781,1782, &end # # 120 PHE HB- 120 PHE HN 2.80 (# 365:10 Unique 2.39, 3.03 A) &rst ixpk= 365, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1790,1791, &end # # 120 PHE HB+ 120 PHE HN 3.50 (# 366:10 Unique 2.39, 3.03 A) &rst ixpk= 366, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1790,1791, &end # # 73 ILE HA 73 ILE HN 3.50 (# 367:10 Unique 2.93, 2.95 A) &rst ixpk= 367, nxpk= 10, iat=1037,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 72 GLU HA 73 ILE HN 2.80 (# 368:10 Unique 2.16, 2.21 A) &rst ixpk= 368, nxpk= 10, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:369 0 AMB 10-1:369 4.50 (# 369:10 Double Ambig) &rst ixpk= 369, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2324,2325,2324,2325,1027,1028,2339,2340,2339,2340, 1364,1365, igr2=2301,1035,1340, &end # # 73 ILE HG1+ 73 ILE HN 2.80 (# 370:10 Unique 2.79, 3.45 A) &rst ixpk= 370, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1045,1046, &end # # 0 AMB 10-2:371 0 AMB 10-1:371 2.80 (# 371:10 Double Ambig) &rst ixpk= 371, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2295,2296,2297,1039, igr2=2301,1035, &end # # 73 ILE HG1- 73 ILE HN 3.50 (# 372:10 Unique 2.79, 3.45 A) &rst ixpk= 372, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1045,1046, &end # # 73 ILE QG2 73 ILE HN 4.50 (# 373:10 Unique 4.25, 4.48 A) &rst ixpk= 373, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 136 TYR HN 135 VAL HN 3.50 (# 374:10 Unique 2.41, 2.62 A) &rst ixpk= 374, nxpk= 10, iat=2048,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:375 0 AMB 10-1:375 2.80 (# 375:10 Double Ambig) &rst ixpk= 375, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2018, 326, igr2=2032, 311, &end # # 134 THR HB 135 VAL HN 3.50 (# 376:10 Unique 2.76, 2.94 A) &rst ixpk= 376, nxpk= 10, iat=2022,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 135 VAL HA 135 VAL HN 3.50 (# 377:10 Unique 2.86, 2.88 A) &rst ixpk= 377, nxpk= 10, iat=2034,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 VAL HA 135 VAL HN 3.50 (# 378:10 Unique 3.11, 3.22 A) &rst ixpk= 378, nxpk= 10, iat=1989,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 135 VAL HB 135 VAL HN 2.80 (# 379:10 Unique 2.17, 2.46 A) &rst ixpk= 379, nxpk= 10, iat=2036,2032, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:380 0 AMB 10-1:380 4.50 (# 380:10 Double Ambig) &rst ixpk= 380, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, igr2=2032, 311, &end # # 135 VAL MGY 135 VAL HN 2.80 (# 381:10 Unique 1.98, 3.76 A) &rst ixpk= 381, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2038,2039,2040,2042,2043,2044, &end # # 135 VAL MGX 135 VAL HN 3.50 (# 382:10 Unique 1.98, 3.76 A) &rst ixpk= 382, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2038,2039,2040,2042,2043,2044, &end # # 28 ALA HN 27 ALA HN 2.80 (# 383:10 Unique 2.74, 2.77 A) &rst ixpk= 383, nxpk= 10, iat= 369, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 26 CYS HA 27 ALA HN 4.50 (# 384:10 Unique 3.59, 3.61 A) &rst ixpk= 384, nxpk= 10, iat= 350, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 ALA HA 27 ALA HN 2.80 (# 385:10 Unique 2.81, 2.82 A) &rst ixpk= 385, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 24 GLU HA 27 ALA HN 4.50 (# 386:10 Unique 3.25, 3.48 A) &rst ixpk= 386, nxpk= 10, iat= 313, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:387 27 ALA HN 3.50 (# 387:10 Single Ambig) &rst ixpk= 387, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 303, 328, 390, 391, &end # # 26 CYS HB- 27 ALA HN 3.50 (# 388:10 Unique 2.65, 3.27 A) &rst ixpk= 388, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 352, 353, &end # # 26 CYS HB+ 27 ALA HN 3.50 (# 389:10 Unique 2.65, 3.27 A) &rst ixpk= 389, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 352, 353, &end # # 27 ALA MB 27 ALA HN 2.80 (# 390:10 Unique 2.49, 2.90 A) &rst ixpk= 390, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 363, 364, 365, &end # # 56 THR HN 57 ARG HN 2.80 (# 391:10 Unique 2.18, 2.28 A) &rst ixpk= 391, nxpk= 10, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:392 57 ARG HN 4.50 (# 392:10 Single Ambig) &rst ixpk= 392, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 47, 35, &end # # 0 AMB 10-2:393 57 ARG HN 3.50 (# 393:10 Single Ambig) &rst ixpk= 393, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 37, 799, &end # # 56 THR HA 57 ARG HN 3.50 (# 394:10 Unique 3.54, 3.56 A) &rst ixpk= 394, nxpk= 10, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 PRO HA 57 ARG HN 4.50 (# 395:10 Unique 3.57, 3.71 A) &rst ixpk= 395, nxpk= 10, iat= 779, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 THR HB 57 ARG HN 3.50 (# 396:10 Unique 2.40, 2.50 A) &rst ixpk= 396, nxpk= 10, iat= 787, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 PRO HB+ 57 ARG HN 4.50 (# 397:10 Unique 2.84, 3.12 A) &rst ixpk= 397, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 776, 777, &end # # 57 ARG HB+ 57 ARG HN 3.50 (# 398:10 Unique 2.71, 3.29 A) &rst ixpk= 398, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 801, 802, &end # # 0 AMB 10-2:399 57 ARG HN 3.50 (# 399:10 Single Ambig) &rst ixpk= 399, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 801, 802, 776, 777, &end # # 56 THR MG2 57 ARG HN 4.50 (# 400:10 Unique 3.21, 4.24 A) &rst ixpk= 400, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 789, 790, 791, &end # # 12 MET HN 11 SER HN 3.50 (# 401:10 Unique 3.10, 3.15 A) &rst ixpk= 401, nxpk= 10, iat= 160, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:402 11 SER HN 3.50 (# 402:10 Single Ambig) &rst ixpk= 402, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 151, 153, 154, &end # # 11 SER HB- 11 SER HN 3.50 (# 403:10 Unique 2.79, 3.11 A) &rst ixpk= 403, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 153, 154, &end # # 0 AMB 10-2:404 11 SER HN 3.50 (# 404:10 Single Ambig) &rst ixpk= 404, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 253, 254, 256, 257, &end # # 0 AMB 10-2:405 75 ILE HN 3.50 (# 405:10 Single Ambig) &rst ixpk= 405, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2272,1054, &end # # 74 ARG HA 75 ILE HN 2.80 (# 406:10 Unique 2.16, 2.24 A) &rst ixpk= 406, nxpk= 10, iat=1056,1078, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:407 75 ILE HN 2.80 (# 407:10 Single Ambig) &rst ixpk= 407, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2257,1080, &end # # 75 ILE HB 75 ILE HN 2.80 (# 408:10 Unique 2.23, 2.26 A) &rst ixpk= 408, nxpk= 10, iat=1082,1078, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 74 ARG HB- 75 ILE HN 3.50 (# 409:10 Unique 2.68, 3.40 A) &rst ixpk= 409, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1058,1059, &end # # 75 ILE HG1- 75 ILE HN 3.50 (# 410:10 Unique 2.25, 3.10 A) &rst ixpk= 410, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1088,1089, &end # # 75 ILE HG1+ 75 ILE HN 3.50 (# 411:10 Unique 2.25, 3.10 A) &rst ixpk= 411, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1088,1089, &end # # 0 AMB 10-2:412 75 ILE HN 4.50 (# 412:10 Single Ambig) &rst ixpk= 412, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1=1084,1085,1086,1660,1661,1623,1624,1625,2281,2282, 2283,2285,2286,2287, &end # # 75 ILE QD1 75 ILE HN 3.50 (# 413:10 Unique 3.20, 4.08 A) &rst ixpk= 413, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1091,1092,1093, &end # # 154 GLU HN 153 VAL HN 3.50 (# 414:10 Unique 2.74, 3.27 A) &rst ixpk= 414, nxpk= 10, iat=2317,2301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 91 ASN HA 92 MET HN 3.50 (# 415:10 Unique 2.48, 2.81 A) &rst ixpk= 415, nxpk= 10, iat=1328,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 86 MET HB- 92 MET HN 5.50 (# 416:10 Unique 3.45, 5.04 A) &rst ixpk= 416, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1251,1252, &end # # 0 AMB 10-2:417 0 AMB 10-1:417 3.50 (# 417:10 Double Ambig) &rst ixpk= 417, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2305,1024,1025, igr2=2301,1035, &end # # 0 AMB 10-2:418 153 VAL HN 2.80 (# 418:10 Single Ambig) &rst ixpk= 418, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 0 AMB 10-2:419 24 GLU HN 2.80 (# 419:10 Single Ambig) &rst ixpk= 419, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 301, 282, 263, &end # # 0 AMB 10-2:420 0 AMB 10-1:420 3.50 (# 420:10 Double Ambig) &rst ixpk= 420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 265,1979, igr2= 311,2032, &end # # 0 AMB 10-2:421 24 GLU HN 2.80 (# 421:10 Single Ambig) &rst ixpk= 421, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 313, 259, &end # # 0 AMB 10-2:422 24 GLU HN 3.50 (# 422:10 Single Ambig) &rst ixpk= 422, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 303, 284, 328, &end # # 0 AMB 10-2:423 0 AMB 10-1:423 4.50 (# 423:10 Double Ambig) &rst ixpk= 423, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 318, 319, 105, 106,2073,2074,2010,2011, igr2= 311,2032, &end # # 0 AMB 10-2:424 24 GLU HN 2.80 (# 424:10 Single Ambig) &rst ixpk= 424, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 315, 316, 315, 316, &end # # 0 AMB 10-2:425 0 AMB 10-1:425 2.80 (# 425:10 Double Ambig) &rst ixpk= 425, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 305, 306, 307,2024,2025,2026, igr2= 311,2032, &end # # 108 VAL HN 107 GLU HN 4.50 (# 426:10 Unique 3.89, 4.35 A) &rst ixpk= 426, nxpk= 10, iat=1601,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 GLY HN 107 GLU HN 3.50 (# 427:10 Unique 2.61, 2.78 A) &rst ixpk= 427, nxpk= 10, iat=1579,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 ARG HA 107 GLU HN 3.50 (# 428:10 Unique 2.06, 2.15 A) &rst ixpk= 428, nxpk= 10, iat= 799,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 107 GLU HA 107 GLU HN 3.50 (# 429:10 Unique 2.95, 2.99 A) &rst ixpk= 429, nxpk= 10, iat=1588,1586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:430 107 GLU HN 4.50 (# 430:10 Single Ambig) &rst ixpk= 430, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1562, 787, &end # # 106 GLY HA+ 107 GLU HN 3.50 (# 431:10 Unique 2.78, 3.27 A) &rst ixpk= 431, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1581,1582, &end # # 106 GLY HA- 107 GLU HN 3.50 (# 432:10 Unique 2.78, 3.27 A) &rst ixpk= 432, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1581,1582, &end # # 107 GLU HG+ 107 GLU HN 4.50 (# 433:10 Unique 4.28, 4.73 A) &rst ixpk= 433, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1593,1594, &end # # 107 GLU HB+ 107 GLU HN 3.50 (# 434:10 Unique 2.49, 2.99 A) &rst ixpk= 434, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1590,1591, &end # # 0 AMB 10-2:435 107 GLU HN 3.50 (# 435:10 Single Ambig) &rst ixpk= 435, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1590,1591, 801, 802, &end # # 0 AMB 10-2:436 107 GLU HN 3.50 (# 436:10 Single Ambig) &rst ixpk= 436, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 804, 805, 804, 805, &end # # 0 AMB 10-2:437 107 GLU HN 3.50 (# 437:10 Single Ambig) &rst ixpk= 437, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, &end # # 105 ILE QG2 107 GLU HN 2.80 (# 438:10 Unique 1.99, 3.06 A) &rst ixpk= 438, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1566,1567,1568, &end # # 141 GLY HN 142 TRP HN 3.50 (# 439:10 Unique 1.82, 2.02 A) &rst ixpk= 439, nxpk= 10, iat=2144,2151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:440 142 TRP HN 4.50 (# 440:10 Single Ambig) &rst ixpk= 440, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2175,2129, &end # # 0 AMB 10-2:441 0 AMB 10-1:441 4.50 (# 441:10 Double Ambig) &rst ixpk= 441, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 459,2159, igr2=2151,2225, &end # # 139 LEU HA 142 TRP HN 4.50 (# 442:10 Unique 2.76, 3.23 A) &rst ixpk= 442, nxpk= 10, iat=2112,2151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:443 142 TRP HN 4.50 (# 443:10 Single Ambig) &rst ixpk= 443, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2131, 427, 428, 427, 428, &end # # 0 AMB 10-2:444 142 TRP HN 2.80 (# 444:10 Single Ambig) &rst ixpk= 444, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=2153,2146,2147,2146,2147, &end # # 142 TRP HB+ 142 TRP HN 2.80 (# 445:10 Unique 2.10, 2.60 A) &rst ixpk= 445, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2155,2156, &end # # 0 AMB 10-2:446 0 AMB 10-1:446 2.80 (# 446:10 Double Ambig) &rst ixpk= 446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2155,2156,2220,2221, igr2=2151,2225, &end # # 129 LYS HN 128 ILE HN 3.50 (# 447:10 Unique 2.56, 2.63 A) &rst ixpk= 447, nxpk= 10, iat=1943,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:448 128 ILE HN 4.50 (# 448:10 Single Ambig) &rst ixpk= 448, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1883,1920, &end # # 0 AMB 10-2:449 128 ILE HN 4.50 (# 449:10 Single Ambig) &rst ixpk= 449, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1911,1912,1895, &end # # 128 ILE HA 128 ILE HN 3.50 (# 450:10 Unique 2.79, 2.83 A) &rst ixpk= 450, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:451 128 ILE HN 2.80 (# 451:10 Single Ambig) &rst ixpk= 451, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1928,1914,1915, &end # # 0 AMB 10-2:452 128 ILE HN 3.50 (# 452:10 Single Ambig) &rst ixpk= 452, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1934,1935,1981,1982,1983,1885,1886,1887, &end # # 0 AMB 10-2:453 128 ILE HN 3.50 (# 453:10 Single Ambig) &rst ixpk= 453, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1917,1918,1950,1951, &end # # 0 AMB 10-2:454 128 ILE HN 4.50 (# 454:10 Single Ambig) &rst ixpk= 454, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1930,1931,1932,1754,1755, &end # # 128 ILE QD1 128 ILE HN 3.50 (# 455:10 Unique 2.09, 2.82 A) &rst ixpk= 455, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1937,1938,1939, &end # # 149 ALA HN 148 PHE HN 4.50 (# 457:10 Unique 4.47, 4.54 A) &rst ixpk= 457, nxpk= 10, iat=2245,2225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 147 GLY HN 148 PHE HN 3.50 (# 458:10 Unique 1.79, 2.86 A) &rst ixpk= 458, nxpk= 10, iat=2218,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 148 PHE HD 148 PHE HN 2.80 (# 459:10 Unique 2.56, 3.68 A) &rst ixpk= 459, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2233,2241, &end # # 148 PHE HA 148 PHE HN 3.50 (# 460:10 Unique 2.82, 2.88 A) &rst ixpk= 460, nxpk= 10, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 147 GLY HA+ 148 PHE HN 3.50 (# 461:10 Unique 3.20, 3.42 A) &rst ixpk= 461, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2220,2221, &end # # 0 AMB 10-2:462 148 PHE HN 3.50 (# 462:10 Single Ambig) &rst ixpk= 462, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2229,2230,2201,2202, &end # # 148 PHE HB- 148 PHE HN 2.80 (# 463:10 Unique 2.24, 2.91 A) &rst ixpk= 463, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2229,2230, &end # # 44 GLU HB+ 44 GLU HN 3.50 (# 464:10 Unique 2.44, 3.18 A) &rst ixpk= 464, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 586, 587, &end # # 45 ASN HN 44 GLU HN 3.50 (# 465:10 Unique 2.54, 2.69 A) &rst ixpk= 465, nxpk= 10, iat= 597, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 44 GLU HA 44 GLU HN 3.50 (# 466:10 Unique 2.82, 2.85 A) &rst ixpk= 466, nxpk= 10, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 44 GLU HB- 44 GLU HN 3.50 (# 467:10 Unique 2.44, 3.18 A) &rst ixpk= 467, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 586, 587, &end # # 0 AMB 10-2:468 44 GLU HN 3.50 (# 468:10 Single Ambig) &rst ixpk= 468, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 572, 573, 572, 573, 575, 576, 575, 576, &end # # 24 GLU HN 23 ALA HN 3.50 (# 469:10 Unique 2.71, 2.85 A) &rst ixpk= 469, nxpk= 10, iat= 311, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 PRO HA 23 ALA HN 3.50 (# 470:10 Unique 3.12, 3.42 A) &rst ixpk= 470, nxpk= 10, iat= 259, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:471 23 ALA HN 3.50 (# 471:10 Single Ambig) &rst ixpk= 471, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 303, 284, &end # # 0 AMB 10-2:472 23 ALA HN 3.50 (# 472:10 Single Ambig) &rst ixpk= 472, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 286, 287, 339, 340, &end # # 22 LEU HG 23 ALA HN 3.50 (# 473:10 Unique 2.53, 2.78 A) &rst ixpk= 473, nxpk= 10, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 23 ALA MB 23 ALA HN 2.80 (# 474:10 Unique 2.36, 2.95 A) &rst ixpk= 474, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 305, 306, 307, &end # # 22 LEU HB- 23 ALA HN 3.50 (# 475:10 Unique 3.36, 3.89 A) &rst ixpk= 475, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 286, 287, &end # # 22 LEU MDX 23 ALA HN 4.50 (# 476:10 Unique 3.65, 4.91 A) &rst ixpk= 476, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 291, 292, 293, 295, 296, 297, &end # # 64 THR HN 113 ILE HN 3.50 (# 477:10 Unique 2.13, 2.25 A) &rst ixpk= 477, nxpk= 10, iat= 916,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:478 113 ILE HN 2.80 (# 478:10 Single Ambig) &rst ixpk= 478, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 908,1677,1678, &end # # 112 GLY HA- 113 ILE HN 3.50 (# 479:10 Unique 2.27, 2.64 A) &rst ixpk= 479, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1677,1678, &end # # 113 ILE HG1- 113 ILE HN 3.50 (# 480:10 Unique 3.04, 3.67 A) &rst ixpk= 480, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1692,1693, &end # # 113 ILE HB 113 ILE HN 3.50 (# 481:10 Unique 2.51, 2.58 A) &rst ixpk= 481, nxpk= 10, iat=1686,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:482 113 ILE HN 4.50 (# 482:10 Single Ambig) &rst ixpk= 482, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1692,1693, 884, 885, 886, 888, 889, 890,1110,1111, 1112, &end # # 0 AMB 10-2:483 113 ILE HN 4.50 (# 483:10 Single Ambig) &rst ixpk= 483, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1688,1689,1690,1665,1666,1667,1669,1670,1671, &end # # 0 AMB 10-2:484 113 ILE HN 3.50 (# 484:10 Single Ambig) &rst ixpk= 484, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1695,1696,1697,1665,1666,1667,1669,1670,1671,1045, 1046, &end # # 98 ILE HN 97 LEU HN 3.50 (# 485:10 Unique 2.30, 2.50 A) &rst ixpk= 485, nxpk= 10, iat=1444,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 94 LEU HA 97 LEU HN 4.50 (# 486:10 Unique 2.86, 3.30 A) &rst ixpk= 486, nxpk= 10, iat=1373,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 LEU HA 97 LEU HN 3.50 (# 487:10 Unique 2.83, 2.89 A) &rst ixpk= 487, nxpk= 10, iat=1427,1425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:488 97 LEU HN 3.50 (# 488:10 Single Ambig) &rst ixpk= 488, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1408,1409,1408,1409, &end # # 97 LEU HB- 97 LEU HN 2.80 (# 489:10 Unique 1.86, 2.37 A) &rst ixpk= 489, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1429,1430, &end # # 97 LEU HB+ 97 LEU HN 2.80 (# 490:10 Unique 1.86, 2.37 A) &rst ixpk= 490, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1429,1430, &end # # 0 AMB 10-2:491 97 LEU HN 4.50 (# 491:10 Single Ambig) &rst ixpk= 491, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1432,1375,1376, &end # # 0 AMB 10-2:492 97 LEU HN 3.50 (# 492:10 Single Ambig) &rst ixpk= 492, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1380,1381,1382,1384,1385,1386,1434,1435,1436,1438, 1439,1440, &end # # 0 AMB 10-2:493 97 LEU HN 4.50 (# 493:10 Single Ambig) &rst ixpk= 493, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1434,1435,1436,1438,1439,1440,1457,1458,1459,1172, 1173,1174, &end # # 117 ILE HN 116 ASP HN 3.50 (# 494:10 Unique 1.81, 1.93 A) &rst ixpk= 494, nxpk= 10, iat=1744,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 ASP HA 116 ASP HN 3.50 (# 495:10 Unique 2.93, 2.97 A) &rst ixpk= 495, nxpk= 10, iat=1734,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 PRO HA 116 ASP HN 3.50 (# 496:10 Unique 2.33, 2.40 A) &rst ixpk= 496, nxpk= 10, iat=1728,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 ASP HB+ 116 ASP HN 3.50 (# 497:10 Unique 2.66, 3.02 A) &rst ixpk= 497, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1736,1737, &end # # 15 ASP HB+ 116 ASP HN 3.50 (# 498:10 Unique 2.76, 3.33 A) &rst ixpk= 498, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 205, 206, &end # # 15 ASP HB- 116 ASP HN 3.50 (# 499:10 Unique 2.76, 3.33 A) &rst ixpk= 499, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 205, 206, &end # # 116 ASP HB- 116 ASP HN 3.50 (# 500:10 Unique 2.66, 3.02 A) &rst ixpk= 500, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1736,1737, &end # # 115 PRO HB+ 116 ASP HN 3.50 (# 501:10 Unique 2.51, 3.14 A) &rst ixpk= 501, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1725,1726, &end # # 0 AMB 10-2:502 116 ASP HN 3.50 (# 502:10 Single Ambig) &rst ixpk= 502, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1934,1935,1885,1886,1887, &end # # 128 ILE QD1 116 ASP HN 3.50 (# 503:10 Unique 2.87, 3.99 A) &rst ixpk= 503, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1937,1938,1939, &end # # 122 TYR HN 121 TYR HN 3.50 (# 504:10 Unique 1.78, 2.66 A) &rst ixpk= 504, nxpk= 10, iat=1827,1806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 120 PHE HA 121 TYR HN 2.80 (# 505:10 Unique 2.04, 2.11 A) &rst ixpk= 505, nxpk= 10, iat=1788,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 121 TYR HA 121 TYR HN 2.80 (# 506:10 Unique 2.16, 2.22 A) &rst ixpk= 506, nxpk= 10, iat=1808,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:507 121 TYR HN 3.50 (# 507:10 Single Ambig) &rst ixpk= 507, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1810,1811,1831,1832, &end # # 0 AMB 10-2:508 97 LEU HN 4.50 (# 508:10 Single Ambig) &rst ixpk= 508, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1399,1400,1475,1492, &end # # 150 GLN HA 150 GLN HN 3.50 (# 509:10 Unique 2.91, 2.93 A) &rst ixpk= 509, nxpk= 10, iat=2257,2255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 149 ALA HA 150 GLN HN 2.80 (# 510:10 Unique 2.25, 2.31 A) &rst ixpk= 510, nxpk= 10, iat=2247,2255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 150 GLN HG+ 150 GLN HN 4.50 (# 511:10 Unique 2.75, 4.32 A) &rst ixpk= 511, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2262,2263, &end # # 0 AMB 10-2:512 150 GLN HN 2.80 (# 512:10 Single Ambig) &rst ixpk= 512, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2259,2260,2259,2260, &end # # 149 ALA MB 150 GLN HN 2.80 (# 513:10 Unique 2.49, 3.55 A) &rst ixpk= 513, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=2249,2250,2251, &end # # 113 ILE HN 64 THR HN 3.50 (# 514:10 Unique 2.13, 2.25 A) &rst ixpk= 514, nxpk= 10, iat=1682, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 63 ALA HA 64 THR HN 2.80 (# 515:10 Unique 2.26, 2.29 A) &rst ixpk= 515, nxpk= 10, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 64 THR HA 64 THR HN 3.50 (# 516:10 Unique 2.93, 2.95 A) &rst ixpk= 516, nxpk= 10, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 115 PRO HD+ 64 THR HN 3.50 (# 517:10 Unique 2.49, 3.22 A) &rst ixpk= 517, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1719,1720, &end # # 0 AMB 10-2:518 64 THR HN 3.50 (# 518:10 Single Ambig) &rst ixpk= 518, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1719,1720, 920, &end # # 0 AMB 10-2:519 64 THR HN 4.50 (# 519:10 Single Ambig) &rst ixpk= 519, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 953, 954, 955,1725,1726, &end # # 63 ALA MB 64 THR HN 3.50 (# 520:10 Unique 3.00, 3.78 A) &rst ixpk= 520, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 910, 911, 912, &end # # 0 AMB 10-2:521 64 THR HN 4.50 (# 521:10 Single Ambig) &rst ixpk= 521, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 922, 923, 924,1930,1931,1932, &end # # 44 GLU HN 45 ASN HN 3.50 (# 522:10 Unique 2.54, 2.69 A) &rst ixpk= 522, nxpk= 10, iat= 582, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 ASN HA 45 ASN HN 3.50 (# 523:10 Unique 2.80, 2.83 A) &rst ixpk= 523, nxpk= 10, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:524 45 ASN HN 2.80 (# 524:10 Single Ambig) &rst ixpk= 524, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 601, 602, 601, 602, &end # # 44 GLU HG- 45 ASN HN 3.50 (# 525:10 Unique 2.26, 3.63 A) &rst ixpk= 525, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 589, 590, &end # # 42 ALA MB 45 ASN HN 4.50 (# 526:10 Unique 3.38, 4.55 A) &rst ixpk= 526, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 562, 563, 564, &end # # 132 VAL HN 133 GLU HN 3.50 (# 527:10 Unique 2.52, 2.58 A) &rst ixpk= 527, nxpk= 10, iat=1987,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 THR HN 133 GLU HN 3.50 (# 528:10 Unique 2.52, 2.64 A) &rst ixpk= 528, nxpk= 10, iat=2018,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 130 ASP HA 133 GLU HN 3.50 (# 529:10 Unique 3.50, 3.53 A) &rst ixpk= 529, nxpk= 10, iat=1967,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HA 133 GLU HN 3.50 (# 530:10 Unique 2.82, 2.83 A) &rst ixpk= 530, nxpk= 10, iat=2005,2003, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 VAL HA 133 GLU HN 4.50 (# 531:10 Unique 3.60, 3.62 A) &rst ixpk= 531, nxpk= 10, iat=1989,2003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:532 133 GLU HN 3.50 (# 532:10 Single Ambig) &rst ixpk= 532, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 339, 340, 339, 340,2010,2011, &end # # 133 GLU HG- 133 GLU HN 4.50 (# 533:10 Unique 4.13, 4.24 A) &rst ixpk= 533, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2010,2011, &end # # 133 GLU HB+ 133 GLU HN 2.80 (# 534:10 Unique 2.10, 2.33 A) &rst ixpk= 534, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2007,2008, &end # # 0 AMB 10-2:535 133 GLU HN 2.80 (# 535:10 Single Ambig) &rst ixpk= 535, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=2007,2008,1991, &end # # 132 VAL MGY 133 GLU HN 3.50 (# 536:10 Unique 3.28, 4.55 A) &rst ixpk= 536, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 10-2:537 133 GLU HN 3.50 (# 537:10 Single Ambig) &rst ixpk= 537, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042, 2043,2044, &end # # 47 ILE HA 47 ILE HN 3.50 (# 538:10 Unique 2.78, 2.79 A) &rst ixpk= 538, nxpk= 10, iat= 625, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 ASN HN 34 TRP HN 3.50 (# 539:10 Unique 2.03, 2.43 A) &rst ixpk= 539, nxpk= 10, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HD1 34 TRP HN 2.80 (# 540:10 Unique 2.11, 2.98 A) &rst ixpk= 540, nxpk= 10, iat= 454, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 33 ASN HA 34 TRP HN 3.50 (# 541:10 Unique 2.65, 3.08 A) &rst ixpk= 541, nxpk= 10, iat= 434, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:542 34 TRP HN 2.80 (# 542:10 Single Ambig) &rst ixpk= 542, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 448, 427, 428, 427, 428, &end # # 34 TRP HB+ 34 TRP HN 3.50 (# 543:10 Unique 2.48, 3.13 A) &rst ixpk= 543, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 450, 451, &end # # 34 TRP HB- 34 TRP HN 3.50 (# 544:10 Unique 2.48, 3.13 A) &rst ixpk= 544, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 450, 451, &end # # 131 ALA HN 130 ASP HN 3.50 (# 545:10 Unique 2.65, 2.69 A) &rst ixpk= 545, nxpk= 10, iat=1977,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 129 LYS HN 130 ASP HN 3.50 (# 546:10 Unique 2.73, 2.80 A) &rst ixpk= 546, nxpk= 10, iat=1943,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 PRO HA 130 ASP HN 3.50 (# 547:10 Unique 3.39, 3.50 A) &rst ixpk= 547, nxpk= 10, iat=1920,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 130 ASP HA 130 ASP HN 3.50 (# 548:10 Unique 2.79, 2.81 A) &rst ixpk= 548, nxpk= 10, iat=1967,1965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:549 130 ASP HN 4.50 (# 549:10 Single Ambig) &rst ixpk= 549, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1895,1911,1912, &end # # 0 AMB 10-2:550 130 ASP HN 3.50 (# 550:10 Single Ambig) &rst ixpk= 550, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1945,1911,1912, &end # # 0 AMB 10-2:551 130 ASP HN 2.80 (# 551:10 Single Ambig) &rst ixpk= 551, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1969,1970,1969,1970, &end # # 129 LYS HB+ 130 ASP HN 3.50 (# 552:10 Unique 2.36, 2.90 A) &rst ixpk= 552, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1947,1948, &end # # 129 LYS HB- 130 ASP HN 3.50 (# 553:10 Unique 2.36, 2.90 A) &rst ixpk= 553, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1947,1948, &end # # 0 AMB 10-2:554 130 ASP HN 4.50 (# 554:10 Single Ambig) &rst ixpk= 554, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1953,1954,1981,1982,1983,1934,1935, &end # # 0 AMB 10-2:555 130 ASP HN 4.50 (# 555:10 Single Ambig) &rst ixpk= 555, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1950,1951,1917,1918, &end # # 98 ILE HN 99 ASP HN 2.80 (# 556:10 Unique 2.66, 2.81 A) &rst ixpk= 556, nxpk= 10, iat=1444,1463, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:557 99 ASP HN 3.50 (# 557:10 Single Ambig) &rst ixpk= 557, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1475,1492,1399,1400, &end # # 0 AMB 10-2:558 0 AMB 10-1:558 3.50 (# 558:10 Double Ambig) &rst ixpk= 558, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1406,1249, igr2=1463,1309, &end # # 0 AMB 10-2:559 0 AMB 10-1:559 2.80 (# 559:10 Double Ambig) &rst ixpk= 559, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1465,1297, igr2=1463,1309, &end # # 98 ILE HA 99 ASP HN 4.50 (# 560:10 Unique 3.55, 3.60 A) &rst ixpk= 560, nxpk= 10, iat=1446,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 ASP HB+ 99 ASP HN 2.80 (# 561:10 Unique 2.33, 2.51 A) &rst ixpk= 561, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1467,1468, &end # # 99 ASP HB- 99 ASP HN 2.80 (# 562:10 Unique 2.33, 2.51 A) &rst ixpk= 562, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1467,1468, &end # # 0 AMB 10-2:564 99 ASP HN 2.80 (# 564:10 Single Ambig) &rst ixpk= 564, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1448,1515,1516, &end # # 0 AMB 10-2:565 99 ASP HN 3.50 (# 565:10 Single Ambig) &rst ixpk= 565, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1521,1522,1521,1522,1454,1455,1429,1430, &end # # 0 AMB 10-2:566 99 ASP HN 3.50 (# 566:10 Single Ambig) &rst ixpk= 566, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1450,1451,1452,1454,1455,1501,1502,1503,1505,1506, 1507, &end # # 79 ASP HN 80 ASP HN 3.50 (# 567:10 Unique 2.57, 2.63 A) &rst ixpk= 567, nxpk= 10, iat=1142,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HN 80 ASP HN 2.80 (# 568:10 Unique 1.85, 1.94 A) &rst ixpk= 568, nxpk= 10, iat=1166,1154, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 80 ASP HA 80 ASP HN 3.50 (# 569:10 Unique 2.97, 2.99 A) &rst ixpk= 569, nxpk= 10, iat=1156,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 ASP HA 80 ASP HN 3.50 (# 570:10 Unique 3.44, 3.47 A) &rst ixpk= 570, nxpk= 10, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 77 ASP HB+ 80 ASP HN 3.50 (# 571:10 Unique 3.18, 4.32 A) &rst ixpk= 571, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1120,1121, &end # # 80 ASP HB+ 80 ASP HN 2.80 (# 572:10 Unique 2.45, 2.74 A) &rst ixpk= 572, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1158,1159, &end # # 0 AMB 10-2:573 80 ASP HN 3.50 (# 573:10 Single Ambig) &rst ixpk= 573, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1146,1147,1120,1121, &end # # 47 ILE HN 46 ASP HN 2.80 (# 574:10 Unique 2.29, 2.43 A) &rst ixpk= 574, nxpk= 10, iat= 623, 611, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 46 ASP HA 46 ASP HN 3.50 (# 575:10 Unique 2.94, 2.96 A) &rst ixpk= 575, nxpk= 10, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 ASN HA 46 ASP HN 3.50 (# 576:10 Unique 3.41, 3.45 A) &rst ixpk= 576, nxpk= 10, iat= 599, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 ASN HB- 46 ASP HN 4.50 (# 577:10 Unique 3.20, 4.00 A) &rst ixpk= 577, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 601, 602, &end # # 46 ASP HB+ 46 ASP HN 3.50 (# 578:10 Unique 2.22, 2.87 A) &rst ixpk= 578, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 615, 616, &end # # 46 ASP HB- 46 ASP HN 2.80 (# 579:10 Unique 2.22, 2.87 A) &rst ixpk= 579, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 615, 616, &end # # 0 AMB 10-2:580 46 ASP HN 4.50 (# 580:10 Single Ambig) &rst ixpk= 580, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 627, 575, 576, 575, 576, 572, 573, 572, 573, &end # # 49 ALA HN 48 VAL HN 3.50 (# 581:10 Unique 2.76, 2.80 A) &rst ixpk= 581, nxpk= 10, iat= 658, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 ILE HN 48 VAL HN 3.50 (# 582:10 Unique 2.83, 2.92 A) &rst ixpk= 582, nxpk= 10, iat= 623, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:583 48 VAL HN 2.80 (# 583:10 Single Ambig) &rst ixpk= 583, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 644, 625, &end # # 48 VAL HB 48 VAL HN 2.80 (# 584:10 Unique 2.48, 2.58 A) &rst ixpk= 584, nxpk= 10, iat= 646, 642, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:585 48 VAL HN 3.50 (# 585:10 Single Ambig) &rst ixpk= 585, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 627, 691, 692, &end # # 48 VAL MGY 48 VAL HN 2.80 (# 586:10 Unique 1.94, 3.68 A) &rst ixpk= 586, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 10-2:587 0 AMB 10-1:587 3.50 (# 587:10 Double Ambig) &rst ixpk= 587, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042, 2043,2044, igr2= 263,2086, &end # # 137 GLN HN 138 ARG HN 3.50 (# 588:10 Unique 2.68, 2.74 A) &rst ixpk= 588, nxpk= 10, iat=2069,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:589 138 ARG HN 4.50 (# 589:10 Single Ambig) &rst ixpk= 589, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2129,2032, &end # # 139 LEU HN 138 ARG HN 2.80 (# 590:10 Unique 2.36, 2.63 A) &rst ixpk= 590, nxpk= 10, iat=2110,2086, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 138 ARG HA 138 ARG HN 3.50 (# 591:10 Unique 2.87, 2.91 A) &rst ixpk= 591, nxpk= 10, iat=2088,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:592 0 AMB 10-1:592 3.50 (# 592:10 Double Ambig) &rst ixpk= 592, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 259,2020, 130, 131, igr2= 263,2086, &end # # 137 GLN HA 138 ARG HN 3.50 (# 593:10 Unique 3.37, 3.44 A) &rst ixpk= 593, nxpk= 10, iat=2071,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:594 138 ARG HN 4.50 (# 594:10 Single Ambig) &rst ixpk= 594, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2073,2074,2136,2137, &end # # 0 AMB 10-2:595 138 ARG HN 2.80 (# 595:10 Single Ambig) &rst ixpk= 595, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2090,2091,2090,2091, &end # # 138 ARG HG- 138 ARG HN 4.50 (# 596:10 Unique 4.42, 4.66 A) &rst ixpk= 596, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2093,2094, &end # # 138 ARG HG+ 138 ARG HN 4.50 (# 597:10 Unique 4.42, 4.66 A) &rst ixpk= 597, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2093,2094, &end # # 96 TYR HD 96 TYR HN 4.50 (# 598:10 Unique 2.61, 3.93 A) &rst ixpk= 598, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1412,1421, &end # # 0 AMB 10-2:599 96 TYR HN 2.80 (# 599:10 Single Ambig) &rst ixpk= 599, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1408,1409,1408,1409, &end # # 46 ASP HN 47 ILE HN 2.80 (# 600:10 Unique 2.29, 2.43 A) &rst ixpk= 600, nxpk= 10, iat= 611, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:601 0 AMB 10-1:601 3.50 (# 601:10 Double Ambig) &rst ixpk= 601, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 642,1195, igr2= 623,1166, &end # # 46 ASP HA 47 ILE HN 4.50 (# 602:10 Unique 3.32, 3.35 A) &rst ixpk= 602, nxpk= 10, iat= 613, 623, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:603 0 AMB 10-1:603 2.80 (# 603:10 Double Ambig) &rst ixpk= 603, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 627,1214,1215, igr2= 623,1166, &end # # 0 AMB 10-2:604 0 AMB 10-1:604 2.80 (# 604:10 Double Ambig) &rst ixpk= 604, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1=1176,1177, 636, 637, 638, igr2=1166, 623, &end # # 34 TRP HN 33 ASN HN 3.50 (# 605:10 Unique 2.03, 2.43 A) &rst ixpk= 605, nxpk= 10, iat= 446, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 ASN HA 33 ASN HN 3.50 (# 606:10 Unique 2.17, 2.62 A) &rst ixpk= 606, nxpk= 10, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:607 33 ASN HN 2.80 (# 607:10 Single Ambig) &rst ixpk= 607, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 427, 428, 427, 428, &end # # 33 ASN HB+ 33 ASN HN 3.50 (# 608:10 Unique 2.86, 3.33 A) &rst ixpk= 608, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 436, 437, &end # # 0 AMB 10-2:609 12 MET HN 3.50 (# 609:10 Single Ambig) &rst ixpk= 609, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 153, 154, 151, &end # # 12 MET HB- 12 MET HN 3.50 (# 610:10 Unique 2.97, 3.35 A) &rst ixpk= 610, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 164, 165, &end # # 0 AMB 10-2:611 12 MET HN 3.50 (# 611:10 Single Ambig) &rst ixpk= 611, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 149, 171, 172, 173, &end # # 13 MET HN 12 MET HN 2.80 (# 612:10 Unique 2.11, 2.24 A) &rst ixpk= 612, nxpk= 10, iat= 177, 160, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 12 MET HA 12 MET HN 3.50 (# 613:10 Unique 2.97, 2.98 A) &rst ixpk= 613, nxpk= 10, iat= 162, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 MET HG+ 12 MET HN 3.50 (# 614:10 Unique 1.94, 2.33 A) &rst ixpk= 614, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 167, 168, &end # # 12 MET HG- 12 MET HN 3.50 (# 615:10 Unique 1.94, 2.33 A) &rst ixpk= 615, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 167, 168, &end # # 12 MET HB+ 12 MET HN 3.50 (# 616:10 Unique 2.97, 3.35 A) &rst ixpk= 616, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 164, 165, &end # # 0 AMB 10-2:617 0 AMB 10-1:617 3.50 (# 617:10 Double Ambig) &rst ixpk= 617, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 413, 414,1176,1177, igr2=2129,1154, &end # # 87 MET HN 86 MET HN 3.50 (# 618:10 Unique 1.96, 2.50 A) &rst ixpk= 618, nxpk= 10, iat=1264,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:619 86 MET HN 3.50 (# 619:10 Single Ambig) &rst ixpk= 619, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1229,1266, &end # # 86 MET HA 86 MET HN 3.50 (# 620:10 Unique 2.91, 2.96 A) &rst ixpk= 620, nxpk= 10, iat=1249,1247, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:621 86 MET HN 3.50 (# 621:10 Single Ambig) &rst ixpk= 621, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1251,1252,1271,1272, &end # # 21 LEU HA 21 LEU HN 3.50 (# 623:10 Unique 2.83, 2.85 A) &rst ixpk= 623, nxpk= 10, iat= 265, 263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:624 21 LEU HN 3.50 (# 624:10 Single Ambig) &rst ixpk= 624, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 234, 227, 228, 227, 228, &end # # 20 PRO HB+ 21 LEU HN 3.50 (# 625:10 Unique 2.59, 3.33 A) &rst ixpk= 625, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 256, 257, &end # # 21 LEU HB+ 21 LEU HN 2.80 (# 626:10 Unique 2.32, 2.49 A) &rst ixpk= 626, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 267, 268, &end # # 21 LEU HB- 21 LEU HN 2.80 (# 627:10 Unique 2.32, 2.49 A) &rst ixpk= 627, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 267, 268, &end # # 0 AMB 10-2:628 21 LEU HN 4.50 (# 628:10 Single Ambig) &rst ixpk= 628, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 286, 287, 236, 237, 238, &end # # 48 VAL MGX 48 VAL HN 3.50 (# 629:10 Unique 1.94, 3.68 A) &rst ixpk= 629, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 10-2:630 138 ARG HN 4.50 (# 630:10 Single Ambig) &rst ixpk= 630, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, &end # # 96 TYR HA 96 TYR HN 3.50 (# 631:10 Unique 2.78, 2.83 A) &rst ixpk= 631, nxpk= 10, iat=1406,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 95 ASN HN 96 TYR HN 3.50 (# 632:10 Unique 2.69, 2.77 A) &rst ixpk= 632, nxpk= 10, iat=1390,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 LEU HN 96 TYR HN 2.80 (# 633:10 Unique 2.62, 2.72 A) &rst ixpk= 633, nxpk= 10, iat=1425,1404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 80 ASP HN 81 ILE HN 2.80 (# 634:10 Unique 1.85, 1.94 A) &rst ixpk= 634, nxpk= 10, iat=1154,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 80 ASP HA 81 ILE HN 3.50 (# 635:10 Unique 3.43, 3.50 A) &rst ixpk= 635, nxpk= 10, iat=1156,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HA 81 ILE HN 3.50 (# 636:10 Unique 2.77, 2.84 A) &rst ixpk= 636, nxpk= 10, iat=1168,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 ASP HB+ 81 ILE HN 3.50 (# 637:10 Unique 2.59, 3.52 A) &rst ixpk= 637, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1158,1159, &end # # 13 MET HB- 13 MET HN 2.80 (# 638:10 Unique 2.27, 2.73 A) &rst ixpk= 638, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 181, 182, &end # # 81 ILE HG1- 81 ILE HN 3.50 (# 639:10 Unique 2.05, 2.88 A) &rst ixpk= 639, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1176,1177, &end # # 81 ILE QD1 81 ILE HN 4.50 (# 640:10 Unique 3.86, 4.43 A) &rst ixpk= 640, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1179,1180,1181, &end # # 139 LEU HN 140 GLU HN 3.50 (# 641:10 Unique 2.82, 3.01 A) &rst ixpk= 641, nxpk= 10, iat=2110,2129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 139 LEU HA 140 GLU HN 3.50 (# 642:10 Unique 3.46, 3.54 A) &rst ixpk= 642, nxpk= 10, iat=2112,2129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:643 140 GLU HN 2.80 (# 643:10 Single Ambig) &rst ixpk= 643, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=2131, 427, 428, 427, 428, &end # # 140 GLU HG- 140 GLU HN 4.50 (# 644:10 Unique 1.79, 2.85 A) &rst ixpk= 644, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2136,2137, &end # # 140 GLU HB+ 140 GLU HN 2.80 (# 645:10 Unique 1.95, 2.97 A) &rst ixpk= 645, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2133,2134, &end # # 140 GLU HB- 140 GLU HN 2.80 (# 646:10 Unique 1.95, 2.97 A) &rst ixpk= 646, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2133,2134, &end # # 139 LEU HB+ 140 GLU HN 3.50 (# 647:10 Unique 2.40, 3.02 A) &rst ixpk= 647, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 0 AMB 10-2:648 140 GLU HN 3.50 (# 648:10 Single Ambig) &rst ixpk= 648, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 407, 408, 413, 414, &end # # 31 LYS HB- 140 GLU HN 3.50 (# 649:10 Unique 2.28, 3.48 A) &rst ixpk= 649, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 407, 408, &end # # 139 LEU HB- 140 GLU HN 3.50 (# 650:10 Unique 2.40, 3.02 A) &rst ixpk= 650, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 0 AMB 10-2:651 28 ALA HN 2.80 (# 651:10 Single Ambig) &rst ixpk= 651, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 359, 348, &end # # 29 ALA HN 28 ALA HN 2.80 (# 652:10 Unique 2.43, 2.56 A) &rst ixpk= 652, nxpk= 10, iat= 379, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 28 ALA HA 28 ALA HN 2.80 (# 653:10 Unique 2.84, 2.86 A) &rst ixpk= 653, nxpk= 10, iat= 371, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:654 28 ALA HN 3.50 (# 654:10 Single Ambig) &rst ixpk= 654, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 328, 390, 391, &end # # 0 AMB 10-2:655 28 ALA HN 2.80 (# 655:10 Single Ambig) &rst ixpk= 655, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 373, 374, 375, 363, 364, 365, &end # # 106 GLY HN 105 ILE HN 4.50 (# 656:10 Unique 4.49, 4.57 A) &rst ixpk= 656, nxpk= 10, iat=1579,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 ASP HN 105 ILE HN 2.80 (# 657:10 Unique 1.91, 2.12 A) &rst ixpk= 657, nxpk= 10, iat=1548,1560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 105 ILE HA 105 ILE HN 3.50 (# 658:10 Unique 2.86, 2.92 A) &rst ixpk= 658, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:659 0 AMB 10-1:659 3.50 (# 659:10 Double Ambig) &rst ixpk= 659, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1138,1535, igr2=1166,1560, &end # # 0 AMB 10-2:660 105 ILE HN 3.50 (# 660:10 Single Ambig) &rst ixpk= 660, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1513, 770, 771, &end # # 104 ASP HB- 105 ILE HN 3.50 (# 661:10 Unique 2.62, 3.52 A) &rst ixpk= 661, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1552,1553, &end # # 104 ASP HB+ 105 ILE HN 3.50 (# 662:10 Unique 2.62, 3.52 A) &rst ixpk= 662, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1552,1553, &end # # 105 ILE HB 105 ILE HN 2.80 (# 663:10 Unique 2.27, 2.36 A) &rst ixpk= 663, nxpk= 10, iat=1564,1560, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 47 ILE HG1+ 47 ILE HN 3.50 (# 664:10 Unique 2.23, 3.00 A) &rst ixpk= 664, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 633, 634, &end # # 0 AMB 10-2:665 0 AMB 10-1:665 3.50 (# 665:10 Double Ambig) &rst ixpk= 665, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1566,1567,1568,1172,1173,1174,1501,1502,1503,1505, 1506,1507,1457,1458,1459, igr2=1560,1166, &end # # 0 AMB 10-2:666 136 TYR HN 3.50 (# 666:10 Single Ambig) &rst ixpk= 666, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2069,2018, &end # # 135 VAL HN 136 TYR HN 3.50 (# 667:10 Unique 2.41, 2.62 A) &rst ixpk= 667, nxpk= 10, iat=2032,2048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 136 TYR HD 136 TYR HN 4.50 (# 668:10 Unique 3.23, 4.60 A) &rst ixpk= 668, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2056,2065, &end # # 133 GLU HA 136 TYR HN 3.50 (# 669:10 Unique 3.37, 3.50 A) &rst ixpk= 669, nxpk= 10, iat=2005,2048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:670 136 TYR HN 3.50 (# 670:10 Single Ambig) &rst ixpk= 670, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2050,2020, &end # # 136 TYR HB+ 136 TYR HN 2.80 (# 671:10 Unique 2.07, 2.47 A) &rst ixpk= 671, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2052,2053, &end # # 136 TYR HB- 136 TYR HN 2.80 (# 672:10 Unique 2.07, 2.47 A) &rst ixpk= 672, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2052,2053, &end # # 135 VAL HB 136 TYR HN 4.50 (# 673:10 Unique 2.51, 3.22 A) &rst ixpk= 673, nxpk= 10, iat=2036,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:674 136 TYR HN 3.50 (# 674:10 Single Ambig) &rst ixpk= 674, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997, 1998,1999, &end # # 135 VAL MGY 136 TYR HN 3.50 (# 675:10 Unique 2.38, 4.23 A) &rst ixpk= 675, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 10-2:676 136 TYR HN 3.50 (# 676:10 Single Ambig) &rst ixpk= 676, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, &end # # 52 GLU HN 51 ARG HN 3.50 (# 677:10 Unique 2.74, 2.78 A) &rst ixpk= 677, nxpk= 10, iat= 711, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 ILE HN 51 ARG HN 3.50 (# 678:10 Unique 2.58, 2.67 A) &rst ixpk= 678, nxpk= 10, iat= 668, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ARG HA 51 ARG HN 3.50 (# 679:10 Unique 2.83, 2.85 A) &rst ixpk= 679, nxpk= 10, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:680 51 ARG HN 3.50 (# 680:10 Single Ambig) &rst ixpk= 680, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 644, 670, 625, &end # # 0 AMB 10-2:681 51 ARG HN 2.80 (# 681:10 Single Ambig) &rst ixpk= 681, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 691, 692, 691, 692, &end # # 51 ARG HG- 51 ARG HN 2.80 (# 682:10 Unique 2.64, 3.29 A) &rst ixpk= 682, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 694, 695, &end # # 51 ARG HG+ 51 ARG HN 3.50 (# 683:10 Unique 2.64, 3.29 A) &rst ixpk= 683, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 694, 695, &end # # 0 AMB 10-2:684 51 ARG HN 3.50 (# 684:10 Single Ambig) &rst ixpk= 684, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676, &end # # 0 AMB 10-2:685 51 ARG HN 4.50 (# 685:10 Single Ambig) &rst ixpk= 685, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 678, 679, 681, 682, 683, &end # # 0 AMB 10-2:686 87 MET HN 2.80 (# 686:10 Single Ambig) &rst ixpk= 686, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1247,1281, &end # # 86 MET HA 87 MET HN 3.50 (# 687:10 Unique 2.94, 3.19 A) &rst ixpk= 687, nxpk= 10, iat=1249,1264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 85 PHE HA 85 PHE HN 3.50 (# 688:10 Unique 2.84, 2.87 A) &rst ixpk= 688, nxpk= 10, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 71 GLY HN 72 GLU HN 3.50 (# 689:10 Unique 2.54, 2.61 A) &rst ixpk= 689, nxpk= 10, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 114 GLN HN 72 GLU HN 4.50 (# 690:10 Unique 2.89, 2.97 A) &rst ixpk= 690, nxpk= 10, iat=1701,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 72 GLU HA 72 GLU HN 3.50 (# 691:10 Unique 2.92, 2.94 A) &rst ixpk= 691, nxpk= 10, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 71 GLY HA+ 72 GLU HN 3.50 (# 692:10 Unique 3.15, 3.33 A) &rst ixpk= 692, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1015,1016, &end # # 70 PRO HA 72 GLU HN 4.50 (# 693:10 Unique 3.28, 3.40 A) &rst ixpk= 693, nxpk= 10, iat=1009,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 95 ASN HB- 96 TYR HN 4.50 (# 694:10 Unique 3.01, 4.17 A) &rst ixpk= 694, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1394,1395, &end # # 72 GLU HG+ 72 GLU HN 3.50 (# 695:10 Unique 2.75, 3.34 A) &rst ixpk= 695, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1027,1028, &end # # 72 GLU HG- 72 GLU HN 2.80 (# 696:10 Unique 2.75, 3.34 A) &rst ixpk= 696, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1027,1028, &end # # 0 AMB 10-2:697 72 GLU HN 2.80 (# 697:10 Single Ambig) &rst ixpk= 697, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1705,1706,1705,1706, &end # # 72 GLU HB+ 72 GLU HN 2.80 (# 698:10 Unique 2.24, 2.92 A) &rst ixpk= 698, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1024,1025, &end # # 0 AMB 10-2:699 72 GLU HN 4.50 (# 699:10 Single Ambig) &rst ixpk= 699, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, &end # # 52 GLU HN 53 LEU HN 3.50 (# 700:10 Unique 2.36, 2.40 A) &rst ixpk= 700, nxpk= 10, iat= 711, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 ARG HN 53 LEU HN 2.80 (# 701:10 Unique 2.19, 2.28 A) &rst ixpk= 701, nxpk= 10, iat= 745, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:702 53 LEU HN 3.50 (# 702:10 Single Ambig) &rst ixpk= 702, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 770, 771, 713, &end # # 0 AMB 10-2:703 53 LEU HN 3.50 (# 703:10 Single Ambig) &rst ixpk= 703, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 770, 771, 670, &end # # 53 LEU HB+ 53 LEU HN 2.80 (# 704:10 Unique 2.17, 2.98 A) &rst ixpk= 704, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 730, 731, &end # # 0 AMB 10-2:705 53 LEU HN 2.80 (# 705:10 Single Ambig) &rst ixpk= 705, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 733, 773, 774, 691, 692, &end # # 53 LEU HB- 53 LEU HN 3.50 (# 706:10 Unique 2.17, 2.98 A) &rst ixpk= 706, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 730, 731, &end # # 0 AMB 10-2:707 53 LEU HN 2.80 (# 707:10 Single Ambig) &rst ixpk= 707, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, &end # # 14 GLY HN 13 MET HN 3.50 (# 708:10 Unique 3.07, 3.28 A) &rst ixpk= 708, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 MET HN 13 MET HN 2.80 (# 709:10 Unique 2.11, 2.24 A) &rst ixpk= 709, nxpk= 10, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 13 MET HA 13 MET HN 3.50 (# 710:10 Unique 2.91, 2.94 A) &rst ixpk= 710, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 MET HA 13 MET HN 3.50 (# 711:10 Unique 3.26, 3.33 A) &rst ixpk= 711, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 MET HB+ 13 MET HN 3.50 (# 712:10 Unique 2.27, 2.73 A) &rst ixpk= 712, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 181, 182, &end # # 0 AMB 10-2:713 13 MET HN 4.50 (# 713:10 Single Ambig) &rst ixpk= 713, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 164, 165, 253, 254, &end # # 66 MET HN 68 LEU HN 3.50 (# 714:10 Unique 3.24, 3.29 A) &rst ixpk= 714, nxpk= 10, iat= 942, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 GLY HN 68 LEU HN 3.50 (# 715:10 Unique 2.87, 2.91 A) &rst ixpk= 715, nxpk= 10, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 LEU HA 68 LEU HN 3.50 (# 716:10 Unique 2.93, 2.95 A) &rst ixpk= 716, nxpk= 10, iat= 968, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 67 GLY HA+ 68 LEU HN 3.50 (# 717:10 Unique 3.11, 3.36 A) &rst ixpk= 717, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 961, 962, &end # # 0 AMB 10-2:718 68 LEU HN 3.50 (# 718:10 Single Ambig) &rst ixpk= 718, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1708,1709,1705,1706,1705,1706, &end # # 68 LEU HB+ 68 LEU HN 3.50 (# 719:10 Unique 2.37, 3.04 A) &rst ixpk= 719, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 970, 971, &end # # 0 AMB 10-2:720 68 LEU HN 3.50 (# 720:10 Single Ambig) &rst ixpk= 720, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, &end # # 0 AMB 10-2:723 69 ASN HN 3.50 (# 723:10 Single Ambig) &rst ixpk= 723, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 968,1703, &end # # 0 AMB 10-2:724 69 ASN HN 2.80 (# 724:10 Single Ambig) &rst ixpk= 724, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 989, 990, 989, 990, &end # # 72 GLU HG+ 69 ASN HN 3.50 (# 725:10 Unique 2.11, 2.84 A) &rst ixpk= 725, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1027,1028, &end # # 72 GLU HG- 69 ASN HN 3.50 (# 726:10 Unique 2.11, 2.84 A) &rst ixpk= 726, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1027,1028, &end # # 0 AMB 10-2:727 69 ASN HN 3.50 (# 727:10 Single Ambig) &rst ixpk= 727, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1708,1709,1705,1706,1705,1706, &end # # 0 AMB 10-2:728 69 ASN HN 3.50 (# 728:10 Single Ambig) &rst ixpk= 728, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1708,1709,1024,1025, &end # # 68 LEU HB+ 69 ASN HN 2.80 (# 729:10 Unique 1.83, 2.19 A) &rst ixpk= 729, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 970, 971, &end # # 68 LEU HB- 69 ASN HN 3.50 (# 730:10 Unique 1.83, 2.19 A) &rst ixpk= 730, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 970, 971, &end # # 0 AMB 10-2:731 69 ASN HN 4.50 (# 731:10 Single Ambig) &rst ixpk= 731, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 973,1061,1062, &end # # 68 LEU MDX 69 ASN HN 3.50 (# 732:10 Unique 4.05, 4.98 A) &rst ixpk= 732, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 10-2:733 87 MET HN 3.50 (# 733:10 Single Ambig) &rst ixpk= 733, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1266,1229, &end # # 84 MET HN 85 PHE HN 2.80 (# 734:10 Unique 2.58, 2.71 A) &rst ixpk= 734, nxpk= 10, iat=1210,1227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 85 PHE HD 85 PHE HN 3.50 (# 735:10 Unique 2.77, 4.12 A) &rst ixpk= 735, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1235,1243, &end # # 84 MET HA 85 PHE HN 3.50 (# 736:10 Unique 3.53, 3.55 A) &rst ixpk= 736, nxpk= 10, iat=1212,1227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 85 PHE HB+ 85 PHE HN 3.50 (# 737:10 Unique 2.09, 2.74 A) &rst ixpk= 737, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1231,1232, &end # # 85 PHE HB- 85 PHE HN 2.80 (# 738:10 Unique 2.09, 2.74 A) &rst ixpk= 738, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1231,1232, &end # # 0 AMB 10-2:739 85 PHE HN 3.50 (# 739:10 Single Ambig) &rst ixpk= 739, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1214,1215,1214,1215, &end # # 84 MET HB- 85 PHE HN 4.50 (# 740:10 Unique 2.78, 3.37 A) &rst ixpk= 740, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1214,1215, &end # # 0 AMB 10-2:741 29 ALA HN 4.50 (# 741:10 Single Ambig) &rst ixpk= 741, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 359, 348, &end # # 28 ALA HN 29 ALA HN 2.80 (# 742:10 Unique 2.43, 2.56 A) &rst ixpk= 742, nxpk= 10, iat= 369, 379, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 26 CYS HA 29 ALA HN 3.50 (# 743:10 Unique 2.99, 3.17 A) &rst ixpk= 743, nxpk= 10, iat= 350, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ALA HA 29 ALA HN 3.50 (# 744:10 Unique 3.53, 3.55 A) &rst ixpk= 744, nxpk= 10, iat= 371, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:745 29 ALA HN 3.50 (# 745:10 Single Ambig) &rst ixpk= 745, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 390, 391, 328, &end # # 30 PRO HD- 29 ALA HN 3.50 (# 746:10 Unique 3.30, 4.02 A) &rst ixpk= 746, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 390, 391, &end # # 28 ALA MB 29 ALA HN 2.80 (# 747:10 Unique 2.69, 3.57 A) &rst ixpk= 747, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 373, 374, 375, &end # # 29 ALA MB 29 ALA HN 2.80 (# 748:10 Unique 2.75, 3.40 A) &rst ixpk= 748, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 383, 384, 385, &end # # 0 AMB 10-2:750 74 ARG HN 5.50 (# 750:10 Single Ambig) &rst ixpk= 750, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044, &end # # 0 AMB 10-2:751 41 SER HN 2.80 (# 751:10 Single Ambig) &rst ixpk= 751, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 558, 128, &end # # 41 SER HA 41 SER HN 3.50 (# 752:10 Unique 2.20, 2.87 A) &rst ixpk= 752, nxpk= 10, iat= 549, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLY HA+ 41 SER HN 2.80 (# 753:10 Unique 2.19, 2.71 A) &rst ixpk= 753, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 542, 543, &end # # 40 GLY HA- 41 SER HN 2.80 (# 754:10 Unique 2.19, 2.71 A) &rst ixpk= 754, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 542, 543, &end # # 0 AMB 10-2:755 41 SER HN 3.50 (# 755:10 Single Ambig) &rst ixpk= 755, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 551, 552, 569, 570, &end # # 9 GLY HA+ 10 ASN HN 3.50 (# 756:10 Unique 2.24, 2.58 A) &rst ixpk= 756, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 130, 131, &end # # 9 GLY HA- 10 ASN HN 2.80 (# 757:10 Unique 2.24, 2.58 A) &rst ixpk= 757, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 130, 131, &end # # 10 ASN HB+ 10 ASN HN 3.50 (# 758:10 Unique 2.55, 2.83 A) &rst ixpk= 758, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 139, 140, &end # # 10 ASN HB- 10 ASN HN 3.50 (# 759:10 Unique 2.55, 2.83 A) &rst ixpk= 759, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 139, 140, &end # # 102 LYS HN 101 LEU HN 2.80 (# 760:10 Unique 1.88, 2.00 A) &rst ixpk= 760, nxpk= 10, iat=1511,1492, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 101 LEU HA 101 LEU HN 3.50 (# 761:10 Unique 2.95, 2.98 A) &rst ixpk= 761, nxpk= 10, iat=1494,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 100 GLN HA 101 LEU HN 3.50 (# 762:10 Unique 3.17, 3.37 A) &rst ixpk= 762, nxpk= 10, iat=1477,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 ILE HA 101 LEU HN 4.50 (# 763:10 Unique 3.18, 3.48 A) &rst ixpk= 763, nxpk= 10, iat=1446,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:764 101 LEU HN 3.50 (# 764:10 Single Ambig) &rst ixpk= 764, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1482,1483,1479,1480,1479,1480,1515,1516, &end # # 0 AMB 10-2:765 101 LEU HN 4.50 (# 765:10 Single Ambig) &rst ixpk= 765, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1515,1516,1448, &end # # 0 AMB 10-2:766 101 LEU HN 2.80 (# 766:10 Single Ambig) &rst ixpk= 766, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1496,1497,1499, &end # # 101 LEU HB+ 101 LEU HN 3.50 (# 767:10 Unique 1.99, 3.01 A) &rst ixpk= 767, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1496,1497, &end # # 0 AMB 10-2:768 101 LEU HN 3.50 (# 768:10 Single Ambig) &rst ixpk= 768, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1501,1502,1503,1505,1506,1507,1450,1451,1452, 629, 630, 631,1607,1608,1609,1611,1612,1613, &end # # 101 LEU MDX 101 LEU HN 4.50 (# 769:10 Unique 2.45, 4.45 A) &rst ixpk= 769, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1501,1502,1503,1505,1506,1507, &end # # 51 ARG HN 52 GLU HN 3.50 (# 770:10 Unique 2.74, 2.78 A) &rst ixpk= 770, nxpk= 10, iat= 687, 711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 LEU HN 52 GLU HN 3.50 (# 771:10 Unique 2.36, 2.40 A) &rst ixpk= 771, nxpk= 10, iat= 726, 711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 51 ARG HA 52 GLU HN 4.50 (# 772:10 Unique 3.45, 3.50 A) &rst ixpk= 772, nxpk= 10, iat= 689, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 52 GLU HG- 52 GLU HN 3.50 (# 773:10 Unique 2.75, 3.39 A) &rst ixpk= 773, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 718, 719, &end # # 52 GLU HG+ 52 GLU HN 3.50 (# 774:10 Unique 2.75, 3.39 A) &rst ixpk= 774, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 718, 719, &end # # 0 AMB 10-2:775 52 GLU HN 2.80 (# 775:10 Single Ambig) &rst ixpk= 775, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 715, 716, 715, 716, &end # # 0 AMB 10-2:777 91 ASN HN 3.50 (# 777:10 Single Ambig) &rst ixpk= 777, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1311,1328, &end # # 0 AMB 10-2:778 0 AMB 10-1:778 2.80 (# 778:10 Double Ambig) &rst ixpk= 778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1513, 713, igr2=1511, 711, &end # # 0 AMB 10-2:779 52 GLU HN 3.50 (# 779:10 Single Ambig) &rst ixpk= 779, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 691, 692, 691, 692, 733, &end # # 135 VAL HN 134 THR HN 2.80 (# 780:10 Unique 2.12, 2.23 A) &rst ixpk= 780, nxpk= 10, iat=2032,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 133 GLU HN 134 THR HN 3.50 (# 781:10 Unique 2.52, 2.64 A) &rst ixpk= 781, nxpk= 10, iat=2003,2018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 134 THR HB 134 THR HN 2.80 (# 782:10 Unique 2.17, 2.22 A) &rst ixpk= 782, nxpk= 10, iat=2022,2018, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 134 THR HA 134 THR HN 3.50 (# 783:10 Unique 2.94, 2.97 A) &rst ixpk= 783, nxpk= 10, iat=2020,2018, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HB+ 134 THR HN 3.50 (# 784:10 Unique 3.14, 3.77 A) &rst ixpk= 784, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2007,2008, &end # # 0 AMB 10-2:785 134 THR HN 3.50 (# 785:10 Single Ambig) &rst ixpk= 785, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2007,2008,2036,1991, &end # # 134 THR MG2 134 THR HN 4.50 (# 786:10 Unique 3.81, 4.35 A) &rst ixpk= 786, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2024,2025,2026, &end # # 0 AMB 10-2:787 134 THR HN 4.50 (# 787:10 Single Ambig) &rst ixpk= 787, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050, &end # # 103 GLU HN 102 LYS HN 3.50 (# 788:10 Unique 2.69, 2.76 A) &rst ixpk= 788, nxpk= 10, iat=1533,1511, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 LEU HN 102 LYS HN 2.80 (# 789:10 Unique 1.88, 2.00 A) &rst ixpk= 789, nxpk= 10, iat=1492,1511, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 101 LEU HA 102 LYS HN 3.50 (# 790:10 Unique 3.48, 3.52 A) &rst ixpk= 790, nxpk= 10, iat=1494,1511, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 99 ASP HA 102 LYS HN 4.50 (# 791:10 Unique 3.17, 3.49 A) &rst ixpk= 791, nxpk= 10, iat=1465,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 LYS HB+ 102 LYS HN 2.80 (# 792:10 Unique 1.95, 2.57 A) &rst ixpk= 792, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1515,1516, &end # # 102 LYS HG+ 102 LYS HN 3.50 (# 794:10 Unique 2.86, 3.81 A) &rst ixpk= 794, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1518,1519, &end # # 102 LYS HG- 102 LYS HN 4.50 (# 795:10 Unique 2.86, 3.81 A) &rst ixpk= 795, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1518,1519, &end # # 0 AMB 10-2:796 102 LYS HN 3.50 (# 796:10 Single Ambig) &rst ixpk= 796, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1=1450,1451,1452,1607,1608,1609,1611,1612,1613,1501, 1502,1503,1505,1506,1507,1454,1455, &end # # 0 AMB 10-2:797 102 LYS HN 4.50 (# 797:10 Single Ambig) &rst ixpk= 797, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575, &end # # 0 AMB 10-2:799 126 GLN HE2- 2.80 (# 799:10 Single Ambig) &rst ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1900,1901,1900,1901, igr2=1905,1906, &end # # 102 LYS HN 103 GLU HN 3.50 (# 800:10 Unique 2.69, 2.76 A) &rst ixpk= 800, nxpk= 10, iat=1511,1533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:801 0 AMB 10-1:801 4.50 (# 801:10 Double Ambig) &rst ixpk= 801, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1492,1475,1399,1400, igr2=1533,1444, &end # # 97 LEU HN 98 ILE HN 3.50 (# 802:10 Unique 2.30, 2.50 A) &rst ixpk= 802, nxpk= 10, iat=1425,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 ILE HA 98 ILE HN 3.50 (# 803:10 Unique 2.76, 2.81 A) &rst ixpk= 803, nxpk= 10, iat=1446,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:804 0 AMB 10-1:804 2.80 (# 804:10 Double Ambig) &rst ixpk= 804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1448,1515,1516, igr2=1444,1533, &end # # 0 AMB 10-2:805 98 ILE HN 2.80 (# 805:10 Single Ambig) &rst ixpk= 805, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1454,1455,1429,1430, &end # # 0 AMB 10-2:806 98 ILE HN 2.80 (# 806:10 Single Ambig) &rst ixpk= 806, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=1454,1455,1450,1451,1452, &end # # 0 AMB 10-2:807 98 ILE HN 3.50 (# 807:10 Single Ambig) &rst ixpk= 807, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1434,1435,1436,1438,1439,1440,1457,1458,1459,1501, 1502,1503,1505,1506,1507,1172,1173,1174, &end # # 0 AMB 10-2:808 84 MET HN 3.50 (# 808:10 Single Ambig) &rst ixpk= 808, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1227,1247, &end # # 84 MET HA 84 MET HN 3.50 (# 809:10 Unique 2.82, 2.86 A) &rst ixpk= 809, nxpk= 10, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 83 GLU HA 84 MET HN 3.50 (# 810:10 Unique 3.53, 3.54 A) &rst ixpk= 810, nxpk= 10, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 MET HG+ 84 MET HN 3.50 (# 811:10 Unique 2.06, 2.83 A) &rst ixpk= 811, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1217,1218, &end # # 84 MET HG- 84 MET HN 4.50 (# 812:10 Unique 2.06, 2.83 A) &rst ixpk= 812, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1217,1218, &end # # 0 AMB 10-2:813 84 MET HN 3.50 (# 813:10 Single Ambig) &rst ixpk= 813, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1199,1200,1202,1203, &end # # 0 AMB 10-2:814 84 MET HN 2.80 (# 814:10 Single Ambig) &rst ixpk= 814, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1214,1215,1214,1215, &end # # 140 GLU HN 139 LEU HN 3.50 (# 815:10 Unique 2.82, 3.01 A) &rst ixpk= 815, nxpk= 10, iat=2129,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 138 ARG HN 139 LEU HN 3.50 (# 816:10 Unique 2.36, 2.63 A) &rst ixpk= 816, nxpk= 10, iat=2086,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 138 ARG HA 139 LEU HN 3.50 (# 817:10 Unique 3.50, 3.56 A) &rst ixpk= 817, nxpk= 10, iat=2088,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 139 LEU HA 139 LEU HN 3.50 (# 818:10 Unique 2.66, 2.72 A) &rst ixpk= 818, nxpk= 10, iat=2112,2110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:819 139 LEU HN 4.50 (# 819:10 Single Ambig) &rst ixpk= 819, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2050,2153,2146,2147, &end # # 0 AMB 10-2:820 139 LEU HN 2.80 (# 820:10 Single Ambig) &rst ixpk= 820, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=2117,2090,2091,2090,2091, &end # # 139 LEU HB+ 139 LEU HN 2.80 (# 821:10 Unique 2.20, 2.99 A) &rst ixpk= 821, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2114,2115, &end # # 139 LEU HB- 139 LEU HN 3.50 (# 822:10 Unique 2.20, 2.99 A) &rst ixpk= 822, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 139 LEU MDX 139 LEU HN 3.50 (# 823:10 Unique 2.00, 3.85 A) &rst ixpk= 823, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDY 139 LEU HN 3.50 (# 824:10 Unique 2.00, 3.85 A) &rst ixpk= 824, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 10-2:826 0 AMB 10-1:826 2.80 (# 826:10 Double Ambig) &rst ixpk= 826, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1900,1901,1900,1901, igr2=1905,1906,1905,1906, &end # # 134 THR HN 132 VAL HN 4.50 (# 827:10 Unique 3.58, 3.65 A) &rst ixpk= 827, nxpk= 10, iat=2018,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 ALA HN 132 VAL HN 3.50 (# 828:10 Unique 2.79, 2.82 A) &rst ixpk= 828, nxpk= 10, iat=1977,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HN 132 VAL HN 3.50 (# 829:10 Unique 2.52, 2.58 A) &rst ixpk= 829, nxpk= 10, iat=2003,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:830 132 VAL HN 4.50 (# 830:10 Single Ambig) &rst ixpk= 830, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1979,2005, &end # # 129 LYS HA 132 VAL HN 3.50 (# 831:10 Unique 3.41, 3.47 A) &rst ixpk= 831, nxpk= 10, iat=1945,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 VAL HA 132 VAL HN 3.50 (# 832:10 Unique 2.86, 2.87 A) &rst ixpk= 832, nxpk= 10, iat=1989,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 132 VAL HB 132 VAL HN 3.50 (# 833:10 Unique 2.20, 2.28 A) &rst ixpk= 833, nxpk= 10, iat=1991,1987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 ALA MB 132 VAL HN 3.50 (# 834:10 Unique 2.65, 3.48 A) &rst ixpk= 834, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1981,1982,1983, &end # # 132 VAL MGY 132 VAL HN 2.80 (# 835:10 Unique 2.34, 3.82 A) &rst ixpk= 835, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 10-2:836 132 VAL HN 4.50 (# 836:10 Single Ambig) &rst ixpk= 836, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042, 2043,2044,1048,1049,1050, &end # # 132 VAL MGX 132 VAL HN 3.50 (# 837:10 Unique 2.34, 3.82 A) &rst ixpk= 837, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 10-2:838 132 VAL HN 4.50 (# 838:10 Single Ambig) &rst ixpk= 838, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1695,1696,1697,1045,1046, &end # # 0 AMB 10-2:839 134 THR HN 3.50 (# 839:10 Single Ambig) &rst ixpk= 839, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1979,2005, &end # # 126 GLN HA 126 GLN HE2- 4.50 (# 840:10 Unique 2.59, 3.33 A) &rst ixpk= 840, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1905,1906, &end # # 104 ASP HN 103 GLU HN 3.50 (# 841:10 Unique 2.25, 2.72 A) &rst ixpk= 841, nxpk= 10, iat=1548,1533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:842 0 AMB 10-1:842 2.80 (# 842:10 Double Ambig) &rst ixpk= 842, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1535,1392, igr2=1533,1444, &end # # 0 AMB 10-2:843 0 AMB 10-1:843 3.50 (# 843:10 Double Ambig) &rst ixpk= 843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1513,1373, igr2=1533,1444, &end # # 103 GLU HG+ 103 GLU HN 3.50 (# 844:10 Unique 2.03, 2.90 A) &rst ixpk= 844, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1540,1541, &end # # 103 GLU HG- 103 GLU HN 3.50 (# 845:10 Unique 2.03, 2.90 A) &rst ixpk= 845, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1540,1541, &end # # 103 GLU HB+ 103 GLU HN 3.50 (# 846:10 Unique 2.01, 2.95 A) &rst ixpk= 846, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1537,1538, &end # # 103 GLU HB- 103 GLU HN 2.80 (# 847:10 Unique 2.01, 2.95 A) &rst ixpk= 847, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1537,1538, &end # # 102 LYS HG- 103 GLU HN 4.50 (# 848:10 Unique 2.33, 3.41 A) &rst ixpk= 848, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1518,1519, &end # # 15 ASP HN 16 ASP HN 3.50 (# 849:10 Unique 2.56, 2.62 A) &rst ixpk= 849, nxpk= 10, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 GLY HN 16 ASP HN 3.50 (# 850:10 Unique 2.72, 2.80 A) &rst ixpk= 850, nxpk= 10, iat= 225, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 ASP HA 16 ASP HN 3.50 (# 851:10 Unique 2.78, 2.84 A) &rst ixpk= 851, nxpk= 10, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 118 VAL HA 16 ASP HN 4.50 (# 852:10 Unique 3.49, 3.55 A) &rst ixpk= 852, nxpk= 10, iat=1765, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:853 16 ASP HN 2.80 (# 853:10 Single Ambig) &rst ixpk= 853, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 217, 218, 205, 206, &end # # 0 AMB 10-2:854 16 ASP HN 2.80 (# 854:10 Single Ambig) &rst ixpk= 854, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 217, 218, 205, 206, &end # # 118 VAL MGY 16 ASP HN 3.50 (# 855:10 Unique 2.27, 4.05 A) &rst ixpk= 855, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1769,1770,1771,1773,1774,1775, &end # # 118 VAL MGX 16 ASP HN 3.50 (# 856:10 Unique 2.27, 4.05 A) &rst ixpk= 856, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1769,1770,1771,1773,1774,1775, &end # # 80 ASP HN 79 ASP HN 2.80 (# 857:10 Unique 2.57, 2.63 A) &rst ixpk= 857, nxpk= 10, iat=1154,1142, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 79 ASP HA 79 ASP HN 3.50 (# 858:10 Unique 2.88, 2.89 A) &rst ixpk= 858, nxpk= 10, iat=1144,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 PRO HA 79 ASP HN 3.50 (# 859:10 Unique 3.53, 3.55 A) &rst ixpk= 859, nxpk= 10, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 78 PRO HD+ 79 ASP HN 3.50 (# 860:10 Unique 3.25, 3.91 A) &rst ixpk= 860, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1129,1130, &end # # 79 ASP HB+ 79 ASP HN 2.80 (# 861:10 Unique 2.46, 2.52 A) &rst ixpk= 861, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1146,1147, &end # # 0 AMB 10-2:862 79 ASP HN 2.80 (# 862:10 Single Ambig) &rst ixpk= 862, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1146,1147,1120,1121, &end # # 0 AMB 10-2:863 79 ASP HN 4.50 (# 863:10 Single Ambig) &rst ixpk= 863, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1135,1136,1132,1133, &end # # 78 PRO HB- 79 ASP HN 4.50 (# 864:10 Unique 2.91, 3.83 A) &rst ixpk= 864, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1135,1136, &end # # 51 ARG HN 50 ILE HN 3.50 (# 865:10 Unique 2.58, 2.67 A) &rst ixpk= 865, nxpk= 10, iat= 687, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 ALA HN 50 ILE HN 3.50 (# 866:10 Unique 2.59, 2.66 A) &rst ixpk= 866, nxpk= 10, iat= 658, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 49 ALA HA 50 ILE HN 3.50 (# 867:10 Unique 3.55, 3.56 A) &rst ixpk= 867, nxpk= 10, iat= 660, 668, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:868 50 ILE HN 2.80 (# 868:10 Single Ambig) &rst ixpk= 868, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 670, 625, &end # # 50 ILE HG1- 50 ILE HN 2.80 (# 869:10 Unique 1.97, 2.80 A) &rst ixpk= 869, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 678, 679, &end # # 50 ILE HB 50 ILE HN 2.80 (# 870:10 Unique 2.44, 2.53 A) &rst ixpk= 870, nxpk= 10, iat= 672, 668, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 49 ALA MB 50 ILE HN 2.80 (# 871:10 Unique 2.50, 3.36 A) &rst ixpk= 871, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 662, 663, 664, &end # # 50 ILE HG1+ 50 ILE HN 2.80 (# 872:10 Unique 1.97, 2.80 A) &rst ixpk= 872, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 678, 679, &end # # 105 ILE HG1- 105 ILE HN 3.50 (# 873:10 Unique 2.24, 3.01 A) &rst ixpk= 873, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1570,1571, &end # # 116 ASP HN 117 ILE HN 3.50 (# 874:10 Unique 1.81, 1.93 A) &rst ixpk= 874, nxpk= 10, iat=1732,1744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 ILE HA 117 ILE HN 3.50 (# 876:10 Unique 2.94, 2.95 A) &rst ixpk= 876, nxpk= 10, iat=1746,1744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 116 ASP HB+ 117 ILE HN 3.50 (# 877:10 Unique 2.53, 3.45 A) &rst ixpk= 877, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1736,1737, &end # # 15 ASP HB- 117 ILE HN 3.50 (# 878:10 Unique 3.16, 3.79 A) &rst ixpk= 878, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 205, 206, &end # # 116 ASP HB- 117 ILE HN 3.50 (# 879:10 Unique 2.53, 3.45 A) &rst ixpk= 879, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1736,1737, &end # # 117 ILE HB 117 ILE HN 4.50 (# 880:10 Unique 3.03, 3.71 A) &rst ixpk= 880, nxpk= 10, iat=1748,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE HG1+ 117 ILE HN 4.50 (# 881:10 Unique 2.18, 3.25 A) &rst ixpk= 881, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1754,1755, &end # # 117 ILE HG1- 117 ILE HN 4.50 (# 882:10 Unique 2.18, 3.25 A) &rst ixpk= 882, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1754,1755, &end # # 117 ILE QD1 117 ILE HN 4.50 (# 883:10 Unique 2.66, 4.69 A) &rst ixpk= 883, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1757,1758,1759, &end # # 65 ASP HA 114 GLN HE2- 3.50 (# 884:10 Unique 2.12, 2.63 A) &rst ixpk= 884, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1713,1714, &end # # 115 PRO HD- 114 GLN HE2- 3.50 (# 886:10 Unique 1.95, 3.46 A) &rst ixpk= 886, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1719,1720, igr2=1713,1714, &end # # 0 AMB 10-2:887 114 GLN HE2- 3.50 (# 887:10 Single Ambig) &rst ixpk= 887, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1708,1709,1705,1706, igr2=1713,1714, &end # # 65 ASP HA 114 GLN HE2+ 3.50 (# 889:10 Unique 2.12, 2.63 A) &rst ixpk= 889, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1713,1714, &end # # 115 PRO HD- 114 GLN HE2+ 3.50 (# 890:10 Unique 1.95, 3.46 A) &rst ixpk= 890, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1719,1720, igr2=1713,1714, &end # # 0 AMB 10-2:891 0 AMB 10-1:891 3.50 (# 891:10 Double Ambig) &rst ixpk= 891, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1708,1709,1705,1706, igr2=1713,1714,1713,1714, &end # # 114 GLN HG+ 114 GLN HE2+ 3.50 (# 892:10 Unique 2.23, 3.28 A) &rst ixpk= 892, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1708,1709, igr2=1713,1714, &end # # 25 LYS HN 26 CYS HN 3.50 (# 893:10 Unique 2.71, 2.76 A) &rst ixpk= 893, nxpk= 10, iat= 326, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 CYS HA 26 CYS HN 3.50 (# 895:10 Unique 2.83, 2.86 A) &rst ixpk= 895, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:896 26 CYS HN 3.50 (# 896:10 Single Ambig) &rst ixpk= 896, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 303, 328, 284, &end # # 26 CYS HB- 26 CYS HN 3.50 (# 897:10 Unique 2.23, 3.00 A) &rst ixpk= 897, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 352, 353, &end # # 26 CYS HB+ 26 CYS HN 2.80 (# 898:10 Unique 2.23, 3.00 A) &rst ixpk= 898, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 352, 353, &end # # 0 AMB 10-2:900 26 CYS HN 2.80 (# 900:10 Single Ambig) &rst ixpk= 900, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 330, 331, 333, 334, &end # # 0 AMB 10-2:901 26 CYS HN 4.50 (# 901:10 Single Ambig) &rst ixpk= 901, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, &end # # 25 LYS HB+ 26 CYS HN 3.50 (# 902:10 Unique 2.49, 3.09 A) &rst ixpk= 902, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 330, 331, &end # # 83 GLU HA 83 GLU HN 3.50 (# 903:10 Unique 2.93, 2.94 A) &rst ixpk= 903, nxpk= 10, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 82 ALA HA 83 GLU HN 3.50 (# 904:10 Unique 3.50, 3.54 A) &rst ixpk= 904, nxpk= 10, iat=1187,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 84 MET HG- 83 GLU HN 4.50 (# 905:10 Unique 3.59, 4.38 A) &rst ixpk= 905, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1217,1218, &end # # 83 GLU HB- 83 GLU HN 2.80 (# 906:10 Unique 2.47, 3.01 A) &rst ixpk= 906, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1199,1200, &end # # 82 ALA MB 83 GLU HN 3.50 (# 907:10 Unique 2.93, 3.75 A) &rst ixpk= 907, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1189,1190,1191, &end # # 0 AMB 10-2:908 83 GLU HN 3.50 (# 908:10 Single Ambig) &rst ixpk= 908, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1199,1200,1202,1203, &end # # 0 AMB 10-2:910 144 GLY HN 4.50 (# 910:10 Single Ambig) &rst ixpk= 910, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2179,2180,2213,2214, &end # # 99 ASP HN 100 GLN HN 3.50 (# 911:10 Unique 2.88, 3.02 A) &rst ixpk= 911, nxpk= 10, iat=1463,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 99 ASP HA 100 GLN HN 4.50 (# 912:10 Unique 3.46, 3.53 A) &rst ixpk= 912, nxpk= 10, iat=1465,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 GLN HA 100 GLN HN 3.50 (# 913:10 Unique 2.86, 2.91 A) &rst ixpk= 913, nxpk= 10, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 97 LEU HA 100 GLN HN 4.50 (# 914:10 Unique 3.72, 4.10 A) &rst ixpk= 914, nxpk= 10, iat=1427,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 ASP HB+ 100 GLN HN 3.50 (# 915:10 Unique 2.60, 3.52 A) &rst ixpk= 915, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1467,1468, &end # # 99 ASP HB- 100 GLN HN 3.50 (# 916:10 Unique 2.60, 3.52 A) &rst ixpk= 916, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1467,1468, &end # # 0 AMB 10-2:917 100 GLN HN 2.80 (# 917:10 Single Ambig) &rst ixpk= 917, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1482,1483,1479,1480,1479,1480, &end # # 0 AMB 10-2:918 100 GLN HN 4.50 (# 918:10 Single Ambig) &rst ixpk= 918, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1501,1502,1503,1505,1506,1507, 636, 637, 638, 629, 630, 631,1450,1451,1452, &end # # 143 GLU HA 144 GLY HN 3.50 (# 919:10 Unique 2.18, 2.42 A) &rst ixpk= 919, nxpk= 10, iat=2177,2190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:920 144 GLY HN 2.80 (# 920:10 Single Ambig) &rst ixpk= 920, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2192,2193,2192,2193, &end # # 103 GLU HN 104 ASP HN 3.50 (# 921:10 Unique 2.25, 2.72 A) &rst ixpk= 921, nxpk= 10, iat=1533,1548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE HN 104 ASP HN 2.80 (# 922:10 Unique 1.91, 2.12 A) &rst ixpk= 922, nxpk= 10, iat=1560,1548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 103 GLU HA 104 ASP HN 3.50 (# 923:10 Unique 3.29, 3.41 A) &rst ixpk= 923, nxpk= 10, iat=1535,1548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 102 LYS HA 104 ASP HN 4.50 (# 924:10 Unique 3.68, 3.89 A) &rst ixpk= 924, nxpk= 10, iat=1513,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 ASP HB- 104 ASP HN 3.50 (# 925:10 Unique 2.30, 2.76 A) &rst ixpk= 925, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1552,1553, &end # # 104 ASP HB+ 104 ASP HN 2.80 (# 926:10 Unique 2.30, 2.76 A) &rst ixpk= 926, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1552,1553, &end # # 0 AMB 10-2:927 104 ASP HN 3.50 (# 927:10 Single Ambig) &rst ixpk= 927, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1537,1538,1515,1516, &end # # 103 GLU HB- 104 ASP HN 4.50 (# 928:10 Unique 3.22, 4.00 A) &rst ixpk= 928, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1537,1538, &end # # 96 TYR HN 95 ASN HN 3.50 (# 929:10 Unique 2.69, 2.77 A) &rst ixpk= 929, nxpk= 10, iat=1404,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 95 ASN HA 95 ASN HN 3.50 (# 930:10 Unique 2.82, 2.84 A) &rst ixpk= 930, nxpk= 10, iat=1392,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 95 ASN HB+ 95 ASN HN 3.50 (# 931:10 Unique 2.24, 2.93 A) &rst ixpk= 931, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1394,1395, &end # # 95 ASN HB- 95 ASN HN 3.50 (# 932:10 Unique 2.24, 2.93 A) &rst ixpk= 932, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1394,1395, &end # # 57 ARG HN 56 THR HN 2.80 (# 933:10 Unique 2.18, 2.28 A) &rst ixpk= 933, nxpk= 10, iat= 797, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 55 PRO HA 56 THR HN 2.80 (# 934:10 Unique 2.12, 2.23 A) &rst ixpk= 934, nxpk= 10, iat= 779, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 56 THR HB 56 THR HN 3.50 (# 935:10 Unique 2.05, 2.18 A) &rst ixpk= 935, nxpk= 10, iat= 787, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 THR HB 56 THR HN 3.50 (# 936:10 Unique 2.51, 2.74 A) &rst ixpk= 936, nxpk= 10, iat= 25, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 PRO HB+ 56 THR HN 3.50 (# 937:10 Unique 2.96, 3.40 A) &rst ixpk= 937, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 776, 777, &end # # 0 AMB 10-2:938 56 THR HN 3.50 (# 938:10 Single Ambig) &rst ixpk= 938, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 776, 777, 801, 802, &end # # 0 AMB 10-2:939 56 THR HN 4.50 (# 939:10 Single Ambig) &rst ixpk= 939, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 789, 790, 791, 730, 731, &end # # 0 AMB 10-2:940 39 GLY HN 3.50 (# 940:10 Single Ambig) &rst ixpk= 940, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 101, 521, &end # # 40 GLY HN 39 GLY HN 3.50 (# 941:10 Unique 2.22, 2.45 A) &rst ixpk= 941, nxpk= 10, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:942 39 GLY HN 2.80 (# 942:10 Single Ambig) &rst ixpk= 942, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 523, 114, &end # # 39 GLY HA- 39 GLY HN 3.50 (# 943:10 Unique 2.27, 2.64 A) &rst ixpk= 943, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 535, 536, &end # # 39 GLY HA+ 39 GLY HN 3.50 (# 944:10 Unique 2.27, 2.64 A) &rst ixpk= 944, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 535, 536, &end # # 6 LEU MDY 39 GLY HN 3.50 (# 945:10 Unique 2.20, 4.27 A) &rst ixpk= 945, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 10-2:946 141 GLY HN 2.80 (# 946:10 Single Ambig) &rst ixpk= 946, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2146,2147,2146,2147, &end # # 0 AMB 10-2:947 51 ARG HE 3.50 (# 947:10 Single Ambig) &rst ixpk= 947, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 697, 698, 697, 698, &end # # 51 ARG HG- 51 ARG HE 4.50 (# 948:10 Unique 2.50, 2.74 A) &rst ixpk= 948, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 694, 695, &end # # 51 ARG HG+ 51 ARG HE 4.50 (# 949:10 Unique 2.50, 2.74 A) &rst ixpk= 949, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 694, 695, &end # # 142 TRP HN 141 GLY HN 4.50 (# 950:10 Unique 1.82, 2.02 A) &rst ixpk= 950, nxpk= 10, iat=2151,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:951 141 GLY HN 3.50 (# 951:10 Single Ambig) &rst ixpk= 951, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2131, 427, 428, &end # # 74 ARG HD+ 74 ARG HE 3.50 (# 953:10 Unique 2.24, 2.62 A) &rst ixpk= 953, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1064,1065, &end # # 0 AMB 10-2:954 74 ARG HE 3.50 (# 954:10 Single Ambig) &rst ixpk= 954, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1061,1062,2249,2250,2251, &end # # 0 AMB 10-2:955 89 THR HN 3.50 (# 955:10 Single Ambig) &rst ixpk= 955, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1297,1299, &end # # 88 THR HA 89 THR HN 3.50 (# 956:10 Unique 2.27, 3.35 A) &rst ixpk= 956, nxpk= 10, iat=1283,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 THR HB 89 THR HN 4.50 (# 957:10 Unique 2.11, 3.30 A) &rst ixpk= 957, nxpk= 10, iat=1285,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 THR MG2 89 THR HN 4.50 (# 958:10 Unique 2.69, 4.61 A) &rst ixpk= 958, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1301,1302,1303, &end # # 0 AMB 10-2:961 0 AMB 10-1:961 3.50 (# 961:10 Double Ambig) &rst ixpk= 961, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 989, 990, 989, 990, igr2= 994, 995, 994, 995, &end # # 138 ARG HD- 138 ARG HE 4.50 (# 962:10 Unique 2.47, 2.81 A) &rst ixpk= 962, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2096,2097, &end # # 0 AMB 10-2:963 69 ASN HD2- 2.80 (# 963:10 Single Ambig) &rst ixpk= 963, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 989, 990, 989, 990, igr2= 994, 995, &end # # 53 LEU HN 54 ARG HN 3.50 (# 964:10 Unique 2.19, 2.28 A) &rst ixpk= 964, nxpk= 10, iat= 726, 745, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 ARG HA 54 ARG HN 2.80 (# 965:10 Unique 2.24, 2.27 A) &rst ixpk= 965, nxpk= 10, iat= 747, 745, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 55 PRO HD+ 54 ARG HN 3.50 (# 966:10 Unique 2.14, 3.05 A) &rst ixpk= 966, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 770, 771, &end # # 53 LEU HB+ 54 ARG HN 3.50 (# 967:10 Unique 2.80, 3.66 A) &rst ixpk= 967, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 730, 731, &end # # 0 AMB 10-2:968 54 ARG HN 3.50 (# 968:10 Single Ambig) &rst ixpk= 968, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 749, 750, 691, 692, 691, 692, &end # # 0 AMB 10-2:969 54 ARG HN 3.50 (# 969:10 Single Ambig) &rst ixpk= 969, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 749, 750, 773, 774, 733, &end # # 0 AMB 10-2:970 54 ARG HN 2.80 (# 970:10 Single Ambig) &rst ixpk= 970, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 752, 753, 752, 753, &end # # 33 ASN HB+ 33 ASN HD2- 3.50 (# 972:10 Unique 2.27, 3.37 A) &rst ixpk= 972, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 436, 437, igr2= 441, 442, &end # # 33 ASN HB- 33 ASN HD2- 3.50 (# 973:10 Unique 2.27, 3.37 A) &rst ixpk= 973, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 436, 437, igr2= 441, 442, &end # # 33 ASN HB- 33 ASN HD2+ 3.50 (# 975:10 Unique 2.27, 3.37 A) &rst ixpk= 975, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 436, 437, igr2= 441, 442, &end # # 57 ARG HD+ 57 ARG HE 4.50 (# 976:10 Unique 2.41, 2.80 A) &rst ixpk= 976, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 807, 808, &end # # 57 ARG HD- 57 ARG HE 4.50 (# 977:10 Unique 2.41, 2.80 A) &rst ixpk= 977, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 807, 808, &end # # 57 ARG HB+ 57 ARG HE 3.50 (# 978:10 Unique 1.85, 2.57 A) &rst ixpk= 978, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 801, 802, &end # # 57 ARG HB- 57 ARG HE 4.50 (# 979:10 Unique 1.85, 2.57 A) &rst ixpk= 979, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 801, 802, &end # # 0 AMB 10-2:980 57 ARG HE 3.50 (# 980:10 Single Ambig) &rst ixpk= 980, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 804, 805, 804, 805, &end # # 136 TYR HN 137 GLN HN 3.50 (# 981:10 Unique 2.95, 3.08 A) &rst ixpk= 981, nxpk= 10, iat=2048,2069, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 138 ARG HN 137 GLN HN 3.50 (# 982:10 Unique 2.68, 2.74 A) &rst ixpk= 982, nxpk= 10, iat=2086,2069, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HA 0 AMB 10-1:983 4.50 (# 983:10 Single Ambig) &rst ixpk= 983, nxpk= 10, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2069,2081,2082, &end # # 0 AMB 10-2:984 0 AMB 10-1:984 3.50 (# 984:10 Double Ambig) &rst ixpk= 984, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2020,2050, igr2=2081,2082,2069, &end # # 137 GLN HA 0 AMB 10-1:985 3.50 (# 985:10 Single Ambig) &rst ixpk= 985, nxpk= 10, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2069,2081,2082, &end # # 136 TYR HB+ 137 GLN HN 3.50 (# 986:10 Unique 2.49, 3.40 A) &rst ixpk= 986, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2052,2053, &end # # 136 TYR HB- 137 GLN HN 3.50 (# 987:10 Unique 2.49, 3.40 A) &rst ixpk= 987, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2052,2053, &end # # 0 AMB 10-2:988 0 AMB 10-1:988 2.80 (# 988:10 Double Ambig) &rst ixpk= 988, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2076,2077,2076,2077, igr2=2069,2081,2082, &end # # 137 GLN HG- 0 AMB 10-1:989 2.80 (# 989:10 Single Ambig) &rst ixpk= 989, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2076,2077, igr2=2069,2081,2082, &end # # 0 AMB 10-2:990 0 AMB 10-1:990 2.80 (# 990:10 Double Ambig) &rst ixpk= 990, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=2073,2074,2010,2011,2073,2074, igr2=2069,2081,2082, &end # # 137 GLN HB- 0 AMB 10-1:991 2.80 (# 991:10 Single Ambig) &rst ixpk= 991, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2073,2074, igr2=2069,2081,2082, &end # # 95 ASN HB+ 95 ASN HD2- 3.50 (# 993:10 Unique 2.60, 3.62 A) &rst ixpk= 993, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1394,1395, igr2=1399,1400, &end # # 100 GLN HG- 100 GLN HE2- 3.50 (# 995:10 Unique 2.03, 3.45 A) &rst ixpk= 995, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1482,1483, igr2=1487,1488, &end # # 0 AMB 10-2:996 100 GLN HE2- 3.50 (# 996:10 Single Ambig) &rst ixpk= 996, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1479,1480,1479,1480,1482,1483, igr2=1487,1488, &end # # 100 GLN HG- 100 GLN HE2+ 3.50 (# 998:10 Unique 2.03, 3.45 A) &rst ixpk= 998, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1482,1483, igr2=1487,1488, &end # # 0 AMB 10-2:999 0 AMB 10-1:999 3.50 (# 999:10 Double Ambig) &rst ixpk= 999, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1479,1480,1479,1480,1482,1483, igr2=1487,1488,1487,1488,1487,1488, &end # # 95 ASN HB+ 95 ASN HD2+ 3.50 (# 1001:10 Unique 2.60, 3.62 A) &rst ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1394,1395, igr2=1399,1400, &end # # 72 GLU HN 71 GLY HN 3.50 (# 1002:10 Unique 2.54, 2.61 A) &rst ixpk= 1002, nxpk= 10, iat=1020,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 71 GLY HA+ 71 GLY HN 3.50 (# 1003:10 Unique 2.28, 2.60 A) &rst ixpk= 1003, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1015,1016, &end # # 70 PRO HA 71 GLY HN 2.80 (# 1004:10 Unique 2.17, 2.20 A) &rst ixpk= 1004, nxpk= 10, iat=1009,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 71 GLY HA- 71 GLY HN 3.50 (# 1005:10 Unique 2.28, 2.60 A) &rst ixpk= 1005, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1015,1016, &end # # 0 AMB 10-2:1006 71 GLY HN 2.80 (# 1006:10 Single Ambig) &rst ixpk= 1006, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1705,1706,1705,1706, &end # # 0 AMB 10-2:1007 71 GLY HN 3.50 (# 1007:10 Single Ambig) &rst ixpk= 1007, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1006,1007,1708,1709,1914,1915, &end # # 128 ILE QD1 71 GLY HN 3.50 (# 1008:10 Unique 2.36, 3.07 A) &rst ixpk= 1008, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1937,1938,1939, &end # # 105 ILE HB 106 GLY HN 4.50 (# 1009:10 Unique 3.87, 4.00 A) &rst ixpk= 1009, nxpk= 10, iat=1564,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1012 88 THR HN 3.50 (# 1012:10 Single Ambig) &rst ixpk= 1012, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1264,1295, &end # # 0 AMB 10-2:1013 88 THR HN 3.50 (# 1013:10 Single Ambig) &rst ixpk= 1013, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1266,1229,1311, &end # # 88 THR HA 88 THR HN 3.50 (# 1014:10 Unique 2.73, 2.79 A) &rst ixpk= 1014, nxpk= 10, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 THR HB 88 THR HN 3.50 (# 1015:10 Unique 2.67, 3.35 A) &rst ixpk= 1015, nxpk= 10, iat=1285,1281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 THR MG2 88 THR HN 3.50 (# 1016:10 Unique 1.82, 2.91 A) &rst ixpk= 1016, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1287,1288,1289, &end # # 45 ASN HB+ 45 ASN HD2+ 3.50 (# 1018:10 Unique 2.30, 3.44 A) &rst ixpk= 1018, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 601, 602, igr2= 606, 607, &end # # 42 ALA MB 45 ASN HD2+ 3.50 (# 1019:10 Unique 2.29, 4.44 A) &rst ixpk= 1019, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 562, 563, 564, igr2= 606, 607, &end # # 45 ASN HB+ 45 ASN HD2- 3.50 (# 1021:10 Unique 2.30, 3.44 A) &rst ixpk= 1021, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 601, 602, igr2= 606, 607, &end # # 42 ALA MB 45 ASN HD2- 3.50 (# 1022:10 Unique 2.29, 4.44 A) &rst ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 562, 563, 564, igr2= 606, 607, &end # # 137 GLN HG+ 137 GLN HE2+ 3.50 (# 1024:10 Unique 2.28, 3.41 A) &rst ixpk= 1024, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2076,2077, igr2=2081,2082, &end # # 137 GLN HG- 137 GLN HE2+ 3.50 (# 1025:10 Unique 2.28, 3.41 A) &rst ixpk= 1025, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2076,2077, igr2=2081,2082, &end # # 107 GLU HN 106 GLY HN 3.50 (# 1026:10 Unique 2.61, 2.78 A) &rst ixpk= 1026, nxpk= 10, iat=1586,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 THR HA 106 GLY HN 3.50 (# 1027:10 Unique 2.84, 3.21 A) &rst ixpk= 1027, nxpk= 10, iat= 785,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE HA 106 GLY HN 2.80 (# 1028:10 Unique 2.19, 2.26 A) &rst ixpk= 1028, nxpk= 10, iat=1562,1579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 106 GLY HA+ 106 GLY HN 2.80 (# 1029:10 Unique 2.26, 2.57 A) &rst ixpk= 1029, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1581,1582, &end # # 106 GLY HA- 106 GLY HN 2.80 (# 1030:10 Unique 2.26, 2.57 A) &rst ixpk= 1030, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1581,1582, &end # # 105 ILE QG2 106 GLY HN 3.50 (# 1031:10 Unique 2.41, 3.08 A) &rst ixpk= 1031, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1566,1567,1568, &end # # 91 ASN HB+ 91 ASN HD2- 3.50 (# 1033:10 Unique 2.22, 3.12 A) &rst ixpk= 1033, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1330,1331, igr2=1335,1336, &end # # 91 ASN HB- 91 ASN HD2- 3.50 (# 1034:10 Unique 2.22, 3.12 A) &rst ixpk= 1034, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1330,1331, igr2=1335,1336, &end # # 91 ASN HB- 91 ASN HD2+ 4.50 (# 1036:10 Unique 2.22, 3.12 A) &rst ixpk= 1036, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1330,1331, igr2=1335,1336, &end # # 8 VAL HA 9 GLY HN 2.80 (# 1037:10 Unique 2.25, 2.29 A) &rst ixpk= 1037, nxpk= 10, iat= 114, 128, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:1038 9 GLY HN 3.50 (# 1038:10 Single Ambig) &rst ixpk= 1038, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 130, 131, 549, &end # # 0 AMB 10-2:1039 9 GLY HN 3.50 (# 1039:10 Single Ambig) &rst ixpk= 1039, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 542, 543, 130, 131, &end # # 0 AMB 10-2:1040 9 GLY HN 4.50 (# 1040:10 Single Ambig) &rst ixpk= 1040, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 116, 575, 576, 575, 576, &end # # 8 VAL MGY 9 GLY HN 2.80 (# 1041:10 Unique 2.37, 4.14 A) &rst ixpk= 1041, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGX 9 GLY HN 3.50 (# 1042:10 Unique 2.37, 4.14 A) &rst ixpk= 1042, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 118, 119, 120, 122, 123, 124, &end # # 150 GLN HG+ 150 GLN HE2- 2.80 (# 1045:10 Unique 2.29, 3.40 A) &rst ixpk= 1045, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2262,2263, igr2=2267,2268, &end # # 150 GLN HG+ 150 GLN HE2+ 3.50 (# 1047:10 Unique 2.29, 3.40 A) &rst ixpk= 1047, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2262,2263, igr2=2267,2268, &end # # 10 ASN HB+ 10 ASN HD2+ 3.50 (# 1049:10 Unique 2.21, 3.17 A) &rst ixpk= 1049, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 139, 140, igr2= 144, 145, &end # # 10 ASN HB+ 10 ASN HD2- 3.50 (# 1050:10 Unique 2.21, 3.17 A) &rst ixpk= 1050, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 139, 140, igr2= 144, 145, &end # # 0 AMB 10-2:1051 10 ASN HD2- 3.50 (# 1051:10 Single Ambig) &rst ixpk= 1051, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 139, 140, 167, 168, igr2= 144, 145, &end # # 0 AMB 10-2:1052 10 ASN HD2- 3.50 (# 1052:10 Single Ambig) &rst ixpk= 1052, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 181, 182, 188, 189, 190, igr2= 144, 145, &end # # 0 AMB 10-2:1053 0 AMB 10-1:1053 3.50 (# 1053:10 Double Ambig) &rst ixpk= 1053, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 139, 140, 167, 168, igr2= 144, 145, 144, 145, &end # # 74 ARG HN 112 GLY HN 3.50 (# 1054:10 Unique 3.24, 3.33 A) &rst ixpk= 1054, nxpk= 10, iat=1054,1675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 112 GLY HA+ 112 GLY HN 3.50 (# 1055:10 Unique 2.37, 2.68 A) &rst ixpk= 1055, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1677,1678, &end # # 75 ILE HA 112 GLY HN 4.50 (# 1056:10 Unique 3.42, 3.50 A) &rst ixpk= 1056, nxpk= 10, iat=1080,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 GLY HA- 112 GLY HN 3.50 (# 1057:10 Unique 2.37, 2.68 A) &rst ixpk= 1057, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1677,1678, &end # # 0 AMB 10-2:1058 112 GLY HN 3.50 (# 1058:10 Single Ambig) &rst ixpk= 1058, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1663,2276,2277, &end # # 0 AMB 10-2:1059 112 GLY HN 4.50 (# 1059:10 Single Ambig) &rst ixpk= 1059, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1=1660,1661,2281,2282,2283,2285,2286,2287,1084,1085, 1086,1623,1624,1625, &end # # 0 AMB 10-2:1060 112 GLY HN 3.50 (# 1060:10 Single Ambig) &rst ixpk= 1060, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1110,1111,1112,1692,1693, &end # # 0 AMB 10-2:1061 112 GLY HN 3.50 (# 1061:10 Single Ambig) &rst ixpk= 1061, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888, 889, 890, &end # # 13 MET HN 14 GLY HN 3.50 (# 1062:10 Unique 3.07, 3.28 A) &rst ixpk= 1062, nxpk= 10, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 MET HA 14 GLY HN 3.50 (# 1063:10 Unique 2.56, 2.68 A) &rst ixpk= 1063, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 GLY HA+ 14 GLY HN 2.80 (# 1064:10 Unique 2.27, 2.58 A) &rst ixpk= 1064, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 196, 197, &end # # 14 GLY HA- 14 GLY HN 3.50 (# 1065:10 Unique 2.27, 2.58 A) &rst ixpk= 1065, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 196, 197, &end # # 145 ASN HB+ 145 ASN HD2- 3.50 (# 1067:10 Unique 2.18, 3.18 A) &rst ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2201,2202, igr2=2206,2207, &end # # 145 ASN HB- 145 ASN HD2- 3.50 (# 1068:10 Unique 2.18, 3.18 A) &rst ixpk= 1068, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2201,2202, igr2=2206,2207, &end # # 75 ILE QG2 145 ASN HD2- 4.50 (# 1069:10 Unique 2.06, 4.59 A) &rst ixpk= 1069, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1084,1085,1086, igr2=2206,2207, &end # # 145 ASN HB+ 145 ASN HD2+ 3.50 (# 1071:10 Unique 2.18, 3.18 A) &rst ixpk= 1071, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2201,2202, igr2=2206,2207, &end # # 145 ASN HB- 145 ASN HD2+ 3.50 (# 1072:10 Unique 2.18, 3.18 A) &rst ixpk= 1072, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2201,2202, igr2=2206,2207, &end # # 75 ILE QG2 145 ASN HD2+ 3.50 (# 1073:10 Unique 2.06, 4.59 A) &rst ixpk= 1073, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1084,1085,1086, igr2=2206,2207, &end # # 118 VAL HA 119 GLY HN 2.80 (# 1074:10 Unique 2.11, 2.17 A) &rst ixpk= 1074, nxpk= 10, iat=1765,1779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 119 GLY HA+ 119 GLY HN 3.50 (# 1075:10 Unique 2.73, 2.82 A) &rst ixpk= 1075, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1781,1782, &end # # 119 GLY HA- 119 GLY HN 3.50 (# 1076:10 Unique 2.73, 2.82 A) &rst ixpk= 1076, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1781,1782, &end # # 0 AMB 10-2:1077 119 GLY HN 3.50 (# 1077:10 Single Ambig) &rst ixpk= 1077, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1769,1770,1771,1773,1774,1775,1754,1755, &end # # 66 MET HN 67 GLY HN 2.80 (# 1078:10 Unique 2.06, 2.09 A) &rst ixpk= 1078, nxpk= 10, iat= 942, 959, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 114 GLN HE2- 67 GLY HN 4.50 (# 1079:10 Unique 2.10, 3.12 A) &rst ixpk= 1079, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1713,1714, &end # # 68 LEU HN 67 GLY HN 3.50 (# 1080:10 Unique 2.87, 2.91 A) &rst ixpk= 1080, nxpk= 10, iat= 966, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 ASP HA 67 GLY HN 3.50 (# 1081:10 Unique 3.28, 3.40 A) &rst ixpk= 1081, nxpk= 10, iat= 932, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 MET HA 67 GLY HN 4.50 (# 1082:10 Unique 3.29, 3.31 A) &rst ixpk= 1082, nxpk= 10, iat= 944, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 GLY HA+ 67 GLY HN 2.80 (# 1083:10 Unique 2.25, 2.52 A) &rst ixpk= 1083, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 961, 962, &end # # 31 LYS HA 32 GLY HN 3.50 (# 1084:10 Unique 2.10, 2.36 A) &rst ixpk= 1084, nxpk= 10, iat= 405, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:1085 32 GLY HN 2.80 (# 1085:10 Single Ambig) &rst ixpk= 1085, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=2131, 427, 428, 427, 428, &end # # 140 GLU HB+ 32 GLY HN 3.50 (# 1086:10 Unique 1.76, 3.11 A) &rst ixpk= 1086, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2133,2134, &end # # 140 GLU HB- 32 GLY HN 3.50 (# 1087:10 Unique 1.76, 3.11 A) &rst ixpk= 1087, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2133,2134, &end # # 0 AMB 10-2:1088 32 GLY HN 3.50 (# 1088:10 Single Ambig) &rst ixpk= 1088, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 407, 408, 413, 414, &end # # 31 LYS HB- 32 GLY HN 3.50 (# 1089:10 Unique 1.85, 3.03 A) &rst ixpk= 1089, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 407, 408, &end # # 39 GLY HN 40 GLY HN 3.50 (# 1090:10 Unique 2.22, 2.45 A) &rst ixpk= 1090, nxpk= 10, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:1091 40 GLY HN 3.50 (# 1091:10 Single Ambig) &rst ixpk= 1091, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 114, 523, &end # # 39 GLY HA- 40 GLY HN 3.50 (# 1092:10 Unique 3.01, 3.34 A) &rst ixpk= 1092, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 535, 536, &end # # 40 GLY HA+ 40 GLY HN 2.80 (# 1093:10 Unique 2.26, 2.55 A) &rst ixpk= 1093, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 542, 543, &end # # 40 GLY HA- 40 GLY HN 3.50 (# 1094:10 Unique 2.26, 2.55 A) &rst ixpk= 1094, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 542, 543, &end # # 145 ASN HN 146 GLY HN 3.50 (# 1095:10 Unique 1.95, 2.30 A) &rst ixpk= 1095, nxpk= 10, iat=2197,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 145 ASN HA 146 GLY HN 3.50 (# 1096:10 Unique 3.08, 3.37 A) &rst ixpk= 1096, nxpk= 10, iat=2199,2211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:1097 146 GLY HN 4.50 (# 1097:10 Single Ambig) &rst ixpk= 1097, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2192,2193,2192,2193, &end # # 146 GLY HA+ 146 GLY HN 2.80 (# 1098:10 Unique 2.23, 2.57 A) &rst ixpk= 1098, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2213,2214, &end # # 146 GLY HA- 146 GLY HN 2.80 (# 1099:10 Unique 2.23, 2.57 A) &rst ixpk= 1099, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2213,2214, &end # # 16 ASP HN 17 GLY HN 3.50 (# 1100:10 Unique 2.72, 2.80 A) &rst ixpk= 1100, nxpk= 10, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 ALA HN 17 GLY HN 3.50 (# 1101:10 Unique 2.84, 3.11 A) &rst ixpk= 1101, nxpk= 10, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 ASP HA 17 GLY HN 3.50 (# 1102:10 Unique 3.33, 3.43 A) &rst ixpk= 1102, nxpk= 10, iat= 215, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:1103 17 GLY HN 2.80 (# 1103:10 Single Ambig) &rst ixpk= 1103, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 227, 228, 227, 228, &end # # 124 MET ME 17 GLY HN 3.50 (# 1104:10 Unique 2.92, 3.95 A) &rst ixpk= 1104, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1873,1874,1875, &end # # 148 PHE HN 147 GLY HN 3.50 (# 1105:10 Unique 1.79, 2.86 A) &rst ixpk= 1105, nxpk= 10, iat=2225,2218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 147 GLY HA+ 147 GLY HN 2.80 (# 1106:10 Unique 2.27, 2.60 A) &rst ixpk= 1106, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2220,2221, &end # # 147 GLY HA- 147 GLY HN 2.80 (# 1107:10 Unique 2.27, 2.60 A) &rst ixpk= 1107, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2220,2221, &end # # 146 GLY HA+ 147 GLY HN 3.50 (# 1108:10 Unique 2.78, 3.21 A) &rst ixpk= 1108, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2213,2214, &end # # 146 GLY HA- 147 GLY HN 4.50 (# 1109:10 Unique 2.78, 3.21 A) &rst ixpk= 1109, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2213,2214, &end # # 59 LEU MDY 111 LEU HN 4.50 (# 1110:10 Unique 3.51, 5.70 A) &rst ixpk= 1110, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 10-2:1111 111 LEU HN 3.50 (# 1111:10 Single Ambig) &rst ixpk= 1111, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 884, 885, 886, 888, 889, 890, 872, 873, 874, 847, 1110,1111,1112, &end # # 0 AMB 10-2:1112 111 LEU HN 4.50 (# 1112:10 Single Ambig) &rst ixpk= 1112, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1640,1641, 898, 899, &end # # 62 ASP HN 111 LEU HN 5.50 (# 1113:10 Unique 4.08, 4.13 A) &rst ixpk= 1113, nxpk= 10, iat= 894,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1114 147 GLY HN 5.50 (# 1114:10 Single Ambig) &rst ixpk= 1114, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2192,2193,2153, &end # # 75 ILE HN 150 GLN HN 4.50 (# 1115:10 Unique 4.40, 4.49 A) &rst ixpk= 1115, nxpk= 10, iat=1078,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1116 74 ARG HN 4.50 (# 1116:10 Single Ambig) &rst ixpk= 1116, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1665,1666,1667,1669,1670,1671,1688,1689,1690, &end # # 25 LYS HD- 133 GLU HN 5.50 (# 1117:10 Unique 4.46, 4.90 A) &rst ixpk= 1117, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 336, 337, &end # # 110 PHE HB+ 111 LEU HN 5.50 (# 1118:10 Unique 3.68, 4.07 A) &rst ixpk= 1118, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1640,1641, &end # # 20 PRO HD- 19 GLY HN 4.50 (# 1119:10 Unique 2.43, 2.82 A) &rst ixpk= 1119, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 250, 251, &end # # 0 AMB 10-2:1120 19 GLY HN 4.50 (# 1120:10 Single Ambig) &rst ixpk= 1120, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 234, 227, 228, 227, 228, &end # # 9 GLY HA+ 19 GLY HN 5.50 (# 1121:10 Unique 2.84, 3.80 A) &rst ixpk= 1121, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 130, 131, &end # # 18 ALA HN 19 GLY HN 5.50 (# 1122:10 Unique 2.80, 2.92 A) &rst ixpk= 1122, nxpk= 10, iat= 232, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 VAL HB 5 LEU HN 4.50 (# 1123:10 Unique 3.98, 4.14 A) &rst ixpk= 1123, nxpk= 10, iat= 474, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 VAL HB 5 LEU HN 5.50 (# 1124:10 Unique 2.66, 3.88 A) &rst ixpk= 1124, nxpk= 10, iat= 51, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1125 5 LEU HN 5.50 (# 1125:10 Single Ambig) &rst ixpk= 1125, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 70, 27, 28, 29, &end # # 0 AMB 10-2:1126 5 LEU HN 5.50 (# 1126:10 Single Ambig) &rst ixpk= 1126, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93, igr1= 515, 516, 517, 508, 509, 510, 847, 91, 92, 93, 95, 96, 97, &end # # 5 LEU MDX 5 LEU HN 4.50 (# 1127:10 Unique 4.25, 5.37 A) &rst ixpk= 1127, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 72, 73, 74, 76, 77, 78, &end # # 5 LEU MDY 5 LEU HN 5.50 (# 1128:10 Unique 4.25, 5.37 A) &rst ixpk= 1128, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 10-2:1129 3 ASP HN 5.50 (# 1129:10 Single Ambig) &rst ixpk= 1129, nxpk= 10, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57, 58, 59, &end # # 0 AMB 10-2:1130 0 AMB 10-1:1130 5.50 (# 1130:10 Double Ambig) &rst ixpk= 1130, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 476, 477, 478, 480, 481, 482,1686, igr2= 35, 906, &end # # 0 AMB 10-2:1131 0 AMB 10-1:1131 5.50 (# 1131:10 Double Ambig) &rst ixpk= 1131, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 25, 130, 131,1719,1720, igr2= 35, 906, &end # # 34 TRP HA 3 ASP HN 5.50 (# 1132:10 Unique 3.69, 4.02 A) &rst ixpk= 1132, nxpk= 10, iat= 448, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ASP HB- 63 ALA HN 5.50 (# 1133:10 Unique 3.18, 3.56 A) &rst ixpk= 1133, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 898, 899, &end # # 62 ASP HB+ 63 ALA HN 5.50 (# 1134:10 Unique 3.18, 3.56 A) &rst ixpk= 1134, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 898, 899, &end # # 34 TRP HB+ 5 LEU HN 5.50 (# 1135:10 Unique 3.45, 4.25 A) &rst ixpk= 1135, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 15 ASP HB+ 15 ASP HN 3.50 (# 1139:10 Unique 2.11, 2.94 A) &rst ixpk= 1139, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 205, 206, &end # # 0 AMB 10-2:1140 15 ASP HN 5.50 (# 1140:10 Single Ambig) &rst ixpk= 1140, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1767,1866,1867, &end # # 0 AMB 10-2:1141 15 ASP HN 4.50 (# 1141:10 Single Ambig) &rst ixpk= 1141, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1725,1726,1873,1874,1875,1722,1723, &end # # 0 AMB 10-2:1142 15 ASP HN 5.50 (# 1142:10 Single Ambig) &rst ixpk= 1142, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=1866,1867,1885,1886,1887,1934,1935, &end # # 0 AMB 10-2:1143 15 ASP HN 4.50 (# 1143:10 Single Ambig) &rst ixpk= 1143, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1769,1770,1771,1773,1774,1775,1754,1755, &end # # 118 VAL MGX 15 ASP HN 4.50 (# 1144:10 Unique 2.82, 4.56 A) &rst ixpk= 1144, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1769,1770,1771,1773,1774,1775, &end # # 116 ASP HN 15 ASP HN 5.50 (# 1145:10 Unique 4.59, 4.79 A) &rst ixpk= 1145, nxpk= 10, iat=1732, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 GLY HN 15 ASP HN 4.50 (# 1146:10 Unique 4.31, 4.51 A) &rst ixpk= 1146, nxpk= 10, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1147 15 ASP HN 5.50 (# 1147:10 Single Ambig) &rst ixpk= 1147, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1744,1862, &end # # 119 GLY HN 15 ASP HN 5.50 (# 1148:10 Unique 3.73, 4.32 A) &rst ixpk= 1148, nxpk= 10, iat=1779, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LEU MDY 59 LEU HN 4.50 (# 1149:10 Unique 3.97, 6.30 A) &rst ixpk= 1149, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDY 59 LEU HN 4.50 (# 1150:10 Unique 4.36, 5.39 A) &rst ixpk= 1150, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 849, 850, 851, 853, 854, 855, &end # # 58 LEU HG 59 LEU HN 4.50 (# 1151:10 Unique 2.60, 2.99 A) &rst ixpk= 1151, nxpk= 10, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1152 59 LEU HN 5.50 (# 1152:10 Single Ambig) &rst ixpk= 1152, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 869, 870, 804, 805, 804, 805, &end # # 0 AMB 10-2:1153 59 LEU HN 5.50 (# 1153:10 Single Ambig) &rst ixpk= 1153, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1621, 801, 802, &end # # 0 AMB 10-2:1154 59 LEU HN 4.50 (# 1154:10 Single Ambig) &rst ixpk= 1154, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 825, 826, 801, 802, &end # # 0 AMB 10-2:1157 143 GLU HN 4.50 (# 1157:10 Single Ambig) &rst ixpk= 1157, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2155,2156,2220,2221, &end # # 144 GLY HN 143 GLU HN 5.50 (# 1159:10 Unique 2.22, 3.63 A) &rst ixpk= 1159, nxpk= 10, iat=2190,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 LEU MDY 37 ILE HN 5.50 (# 1160:10 Unique 2.93, 5.49 A) &rst ixpk= 1160, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 5 LEU MDX 37 ILE HN 5.50 (# 1161:10 Unique 2.93, 5.49 A) &rst ixpk= 1161, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 36 VAL HB 37 ILE HN 4.50 (# 1162:10 Unique 3.79, 4.14 A) &rst ixpk= 1162, nxpk= 10, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 76 ILE HN 110 PHE HN 5.50 (# 1163:10 Unique 3.20, 3.41 A) &rst ixpk= 1163, nxpk= 10, iat=1097,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE QD1 110 PHE HN 5.50 (# 1165:10 Unique 3.08, 4.67 A) &rst ixpk= 1165, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1179,1180,1181, &end # # 0 AMB 10-2:1166 114 GLN HN 5.50 (# 1166:10 Single Ambig) &rst ixpk= 1166, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1045,1046,1695,1696,1697, &end # # 113 ILE HG1+ 114 GLN HN 4.50 (# 1167:10 Unique 4.36, 4.72 A) &rst ixpk= 1167, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1692,1693, &end # # 0 AMB 10-2:1168 114 GLN HN 4.50 (# 1168:10 Single Ambig) &rst ixpk= 1168, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, &end # # 0 AMB 10-2:1169 114 GLN HN 5.50 (# 1169:10 Single Ambig) &rst ixpk= 1169, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1937,1938,1939,1048,1049,1050, &end # # 113 ILE HB 114 GLN HN 4.50 (# 1170:10 Unique 4.32, 4.35 A) &rst ixpk= 1170, nxpk= 10, iat=1686,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1171 114 GLN HN 5.50 (# 1171:10 Single Ambig) &rst ixpk= 1171, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1692,1693,1061,1062, &end # # 0 AMB 10-2:1172 114 GLN HN 5.50 (# 1172:10 Single Ambig) &rst ixpk= 1172, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 970, 971,1981,1982,1983,1058,1059, &end # # 71 GLY HA- 114 GLN HN 5.50 (# 1173:10 Unique 3.96, 4.87 A) &rst ixpk= 1173, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 0 AMB 10-2:1174 114 GLN HN 4.50 (# 1174:10 Single Ambig) &rst ixpk= 1174, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1719,1720,1009, 920, &end # # 115 PRO HD+ 114 GLN HN 5.50 (# 1175:10 Unique 4.44, 4.79 A) &rst ixpk= 1175, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1719,1720, &end # # 72 GLU HN 114 GLN HN 3.50 (# 1176:10 Unique 2.89, 2.97 A) &rst ixpk= 1176, nxpk= 10, iat=1020,1701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ILE HA 114 GLN HN 4.50 (# 1177:10 Unique 3.75, 3.86 A) &rst ixpk= 1177, nxpk= 10, iat=1037,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LEU HN 152 ALA HN 4.50 (# 1178:10 Unique 4.51, 4.54 A) &rst ixpk= 1178, nxpk= 10, iat=2272,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 ARG HB- 152 ALA HN 5.50 (# 1180:10 Unique 5.00, 5.84 A) &rst ixpk= 1180, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1058,1059, &end # # 0 AMB 10-2:1181 152 ALA HN 5.50 (# 1181:10 Single Ambig) &rst ixpk= 1181, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1217,1218, 949, 950,2262,2263, &end # # 74 ARG HD+ 152 ALA HN 5.50 (# 1182:10 Unique 4.06, 5.83 A) &rst ixpk= 1182, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 31 LYS HB- 34 TRP HE1 5.50 (# 1183:10 Unique 4.50, 5.25 A) &rst ixpk= 1183, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 407, 408, &end # # 0 AMB 10-2:1184 34 TRP HE1 5.50 (# 1184:10 Single Ambig) &rst ixpk= 1184, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 407, 408, 39, 40, 413, 414, &end # # 0 AMB 10-2:1185 34 TRP HE1 5.50 (# 1185:10 Single Ambig) &rst ixpk= 1185, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=2117,2133,2134,2090,2091,2090,2091, &end # # 34 TRP HB- 34 TRP HE1 5.50 (# 1186:10 Unique 4.57, 4.97 A) &rst ixpk= 1186, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 34 TRP HB+ 34 TRP HE1 5.50 (# 1187:10 Unique 4.57, 4.97 A) &rst ixpk= 1187, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 0 AMB 10-2:1188 34 TRP HE1 5.50 (# 1188:10 Single Ambig) &rst ixpk= 1188, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=2146,2147,2146,2147,2153, &end # # 34 TRP HH2 34 TRP HE1 5.50 (# 1189:10 Unique 5.07, 5.09 A) &rst ixpk= 1189, nxpk= 10, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1191 34 TRP HE1 5.50 (# 1191:10 Single Ambig) &rst ixpk= 1191, nxpk= 10, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2175,2129, &end # # 142 TRP HN 34 TRP HE1 5.50 (# 1192:10 Unique 3.12, 3.54 A) &rst ixpk= 1192, nxpk= 10, iat=2151, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ASN HN 34 TRP HE1 5.50 (# 1193:10 Unique 3.68, 4.61 A) &rst ixpk= 1193, nxpk= 10, iat= 432, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 LEU MDX 0 AMB 10-1:1194 5.50 (# 1194:10 Single Ambig) &rst ixpk= 1194, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 849, 850, 851, 853, 854, 855, igr2=2161, 82, &end # # 59 LEU MDY 0 AMB 10-1:1195 5.50 (# 1195:10 Single Ambig) &rst ixpk= 1195, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 849, 850, 851, 853, 854, 855, igr2=2161, 82, &end # # 5 LEU MDX 6 LEU HN 5.50 (# 1196:10 Unique 2.13, 4.53 A) &rst ixpk= 1196, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 10-2:1197 142 TRP HE1 5.50 (# 1197:10 Single Ambig) &rst ixpk= 1197, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1627,1628, 804, 805, &end # # 0 AMB 10-2:1198 6 LEU HN 4.50 (# 1198:10 Single Ambig) &rst ixpk= 1198, nxpk= 10, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 67, 68, 506, &end # # 146 GLY HA+ 142 TRP HE1 5.50 (# 1199:10 Unique 4.16, 4.99 A) &rst ixpk= 1199, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2213,2214, &end # # 0 AMB 10-2:1200 0 AMB 10-1:1200 5.50 (# 1200:10 Double Ambig) &rst ixpk= 1200, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2177, 488, igr2=2161, 82, &end # # 0 AMB 10-2:1201 0 AMB 10-1:1201 4.50 (# 1201:10 Double Ambig) &rst ixpk= 1201, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 878,2175, igr2= 82,2161, &end # # 146 GLY HN 142 TRP HE1 4.50 (# 1202:10 Unique 3.28, 3.93 A) &rst ixpk= 1202, nxpk= 10, iat=2211,2161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 CYS HN 6 LEU HN 5.50 (# 1203:10 Unique 3.94, 4.11 A) &rst ixpk= 1203, nxpk= 10, iat= 101, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 LEU HN 6 LEU HN 4.50 (# 1204:10 Unique 3.39, 3.56 A) &rst ixpk= 1204, nxpk= 10, iat= 840, 82, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1205 0 AMB 10-1:1205 4.50 (# 1205:10 Double Ambig) &rst ixpk= 1205, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2190, 63, igr2=2161, 82, &end # # 6 LEU HG 6 LEU HN 5.50 (# 1208:10 Unique 4.22, 4.27 A) &rst ixpk= 1208, nxpk= 10, iat= 89, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HN 109 ILE HN 4.50 (# 1209:10 Unique 4.02, 4.16 A) &rst ixpk= 1209, nxpk= 10, iat= 859,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU MDX 36 VAL HN 5.50 (# 1210:10 Unique 4.66, 7.22 A) &rst ixpk= 1210, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 10-2:1211 36 VAL HN 5.50 (# 1211:10 Single Ambig) &rst ixpk= 1211, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 67, 68, 506, &end # # 0 AMB 10-2:1212 36 VAL HN 4.50 (# 1212:10 Single Ambig) &rst ixpk= 1212, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 474, 393, 394, &end # # 0 AMB 10-2:1213 36 VAL HN 5.50 (# 1213:10 Single Ambig) &rst ixpk= 1213, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, 352, 353, &end # # 0 AMB 10-2:1214 36 VAL HN 5.50 (# 1214:10 Single Ambig) &rst ixpk= 1214, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, 352, 353, &end # # 4 VAL HA 36 VAL HN 5.50 (# 1215:10 Unique 4.93, 5.24 A) &rst ixpk= 1215, nxpk= 10, iat= 49, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HN 36 VAL HN 5.50 (# 1216:10 Unique 4.49, 4.53 A) &rst ixpk= 1216, nxpk= 10, iat= 502, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 VAL HN 36 VAL HN 4.50 (# 1217:10 Unique 4.14, 4.48 A) &rst ixpk= 1217, nxpk= 10, iat= 470, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1218 66 MET HN 4.50 (# 1218:10 Single Ambig) &rst ixpk= 1218, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981,2281,2282,2283,2285,2286,2287, &end # # 64 THR MG2 66 MET HN 5.50 (# 1219:10 Unique 4.84, 5.98 A) &rst ixpk= 1219, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 922, 923, 924, &end # # 0 AMB 10-2:1220 66 MET HN 5.50 (# 1220:10 Single Ambig) &rst ixpk= 1220, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 973,1061,1062, &end # # 65 ASP HB- 66 MET HN 4.50 (# 1221:10 Unique 4.18, 4.26 A) &rst ixpk= 1221, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 934, 935, &end # # 65 ASP HB+ 66 MET HN 5.50 (# 1222:10 Unique 4.18, 4.26 A) &rst ixpk= 1222, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 934, 935, &end # # 0 AMB 10-2:1223 66 MET HN 4.50 (# 1223:10 Single Ambig) &rst ixpk= 1223, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1719,1720, 920, &end # # 0 AMB 10-2:1224 66 MET HN 3.50 (# 1224:10 Single Ambig) &rst ixpk= 1224, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1719,1720, 961, 962, &end # # 114 GLN HA 66 MET HN 5.50 (# 1225:10 Unique 3.40, 3.45 A) &rst ixpk= 1225, nxpk= 10, iat=1703, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HE2+ 66 MET HN 4.50 (# 1226:10 Unique 1.95, 2.82 A) &rst ixpk= 1226, nxpk= 10, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1713,1714, &end # # 0 AMB 10-2:1227 76 ILE HN 4.50 (# 1227:10 Single Ambig) &rst ixpk= 1227, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1082,1621, &end # # 110 PHE HB- 76 ILE HN 4.50 (# 1228:10 Unique 3.17, 4.09 A) &rst ixpk= 1228, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 110 PHE HB+ 76 ILE HN 4.50 (# 1229:10 Unique 3.17, 4.09 A) &rst ixpk= 1229, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 76 ILE HA 76 ILE HN 3.50 (# 1230:10 Unique 2.97, 2.98 A) &rst ixpk= 1230, nxpk= 10, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HB- 35 VAL HN 4.50 (# 1231:10 Unique 2.88, 3.85 A) &rst ixpk= 1231, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 450, 451, &end # # 2 THR MG2 35 VAL HN 4.50 (# 1232:10 Unique 3.65, 5.15 A) &rst ixpk= 1232, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 27, 28, 29, &end # # 3 ASP HB- 35 VAL HN 4.50 (# 1233:10 Unique 3.61, 4.16 A) &rst ixpk= 1233, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 39, 40, &end # # 3 ASP HB+ 35 VAL HN 4.50 (# 1234:10 Unique 3.61, 4.16 A) &rst ixpk= 1234, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 39, 40, &end # # 0 AMB 10-2:1235 35 VAL HN 5.50 (# 1235:10 Single Ambig) &rst ixpk= 1235, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 51, 733, &end # # 110 PHE HB- 60 ILE HN 5.50 (# 1236:10 Unique 4.38, 5.12 A) &rst ixpk= 1236, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1640,1641, &end # # 0 AMB 10-2:1237 60 ILE HN 5.50 (# 1237:10 Single Ambig) &rst ixpk= 1237, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 86, 87, 116, &end # # 0 AMB 10-2:1238 156 GLU HN 5.50 (# 1238:10 Single Ambig) &rst ixpk= 1238, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2354,2355,2354,2355, &end # # 0 AMB 10-2:1239 131 ALA HN 5.50 (# 1239:10 Single Ambig) &rst ixpk= 1239, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1695,1696,1697,1045,1046, &end # # 113 ILE QG2 131 ALA HN 5.50 (# 1240:10 Unique 4.70, 5.31 A) &rst ixpk= 1240, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1688,1689,1690, &end # # 132 VAL MGX 131 ALA HN 5.50 (# 1241:10 Unique 4.54, 6.39 A) &rst ixpk= 1241, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 10-2:1243 131 ALA HN 5.50 (# 1243:10 Single Ambig) &rst ixpk= 1243, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1947,1948,1045,1046, &end # # 129 LYS HB+ 131 ALA HN 5.50 (# 1244:10 Unique 4.84, 5.15 A) &rst ixpk= 1244, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1947,1948, &end # # 0 AMB 10-2:1245 131 ALA HN 4.50 (# 1245:10 Single Ambig) &rst ixpk= 1245, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2007,2008,1991,1914,1915, &end # # 71 GLY HA- 131 ALA HN 5.50 (# 1246:10 Unique 4.02, 4.14 A) &rst ixpk= 1246, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 132 VAL HA 131 ALA HN 5.50 (# 1247:10 Unique 5.39, 5.41 A) &rst ixpk= 1247, nxpk= 10, iat=1989,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 127 PRO HA 131 ALA HN 4.50 (# 1248:10 Unique 3.95, 4.12 A) &rst ixpk= 1248, nxpk= 10, iat=1920,1977, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 THR HB 131 ALA HN 5.50 (# 1249:10 Unique 4.40, 4.55 A) &rst ixpk= 1249, nxpk= 10, iat=2022,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 GLY HA+ 131 ALA HN 5.50 (# 1250:10 Unique 4.02, 4.14 A) &rst ixpk= 1250, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 20 PRO HD- 8 VAL HN 5.50 (# 1251:10 Unique 2.99, 4.03 A) &rst ixpk= 1251, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 20 PRO HD+ 8 VAL HN 5.50 (# 1252:10 Unique 2.99, 4.03 A) &rst ixpk= 1252, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 19 GLY HA- 8 VAL HN 4.50 (# 1253:10 Unique 1.83, 2.55 A) &rst ixpk= 1253, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 244, 245, &end # # 61 VAL HA 8 VAL HN 5.50 (# 1254:10 Unique 5.09, 5.18 A) &rst ixpk= 1254, nxpk= 10, iat= 880, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1255 0 AMB 10-1:1255 4.50 (# 1255:10 Double Ambig) &rst ixpk= 1255, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1054,1701,2272, igr2=1035,2301, &end # # 91 ASN HD2- 92 MET HN 4.50 (# 1256:10 Unique 2.51, 4.05 A) &rst ixpk= 1256, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1335,1336, &end # # 148 PHE HD 73 ILE HN 5.50 (# 1257:10 Unique 4.55, 6.57 A) &rst ixpk= 1257, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2233,2241, &end # # 57 ARG HN 4 VAL HN 4.50 (# 1260:10 Unique 3.70, 3.91 A) &rst ixpk= 1260, nxpk= 10, iat= 797, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 LEU HN 4 VAL HN 4.50 (# 1261:10 Unique 3.92, 4.11 A) &rst ixpk= 1261, nxpk= 10, iat= 840, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU HN 4 VAL HN 4.50 (# 1262:10 Unique 4.27, 4.41 A) &rst ixpk= 1262, nxpk= 10, iat= 63, 47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1263 4 VAL HN 5.50 (# 1263:10 Single Ambig) &rst ixpk= 1263, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 27, 28, 29, 70, &end # # 55 PRO HB+ 4 VAL HN 4.50 (# 1264:10 Unique 3.30, 4.22 A) &rst ixpk= 1264, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 776, 777, &end # # 74 ARG HA 149 ALA HN 5.50 (# 1265:10 Unique 2.96, 3.41 A) &rst ixpk= 1265, nxpk= 10, iat=1056,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 148 PHE HN 149 ALA HN 4.50 (# 1266:10 Unique 4.47, 4.54 A) &rst ixpk= 1266, nxpk= 10, iat=2225,2245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 GLN HN 149 ALA HN 5.50 (# 1267:10 Unique 4.50, 4.57 A) &rst ixpk= 1267, nxpk= 10, iat=2255,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 ILE HN 149 ALA HN 5.50 (# 1268:10 Unique 3.40, 3.96 A) &rst ixpk= 1268, nxpk= 10, iat=1078,2245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ARG HD- 149 ALA HN 5.50 (# 1269:10 Unique 3.15, 4.05 A) &rst ixpk= 1269, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 66 MET HN 65 ASP HN 5.50 (# 1270:10 Unique 4.44, 4.49 A) &rst ixpk= 1270, nxpk= 10, iat= 942, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1271 155 GLU HN 5.50 (# 1271:10 Single Ambig) &rst ixpk= 1271, nxpk= 10, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 0 AMB 10-2:1272 126 GLN HN 5.50 (# 1272:10 Single Ambig) &rst ixpk= 1272, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1950,1951,1950,1951,1917,1918, &end # # 0 AMB 10-2:1274 126 GLN HN 4.50 (# 1274:10 Single Ambig) &rst ixpk= 1274, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1914,1915,1006,1007,1852,1853, &end # # 128 ILE HN 126 GLN HN 5.50 (# 1275:10 Unique 4.39, 4.75 A) &rst ixpk= 1275, nxpk= 10, iat=1924,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 126 GLN HE2- 126 GLN HN 5.50 (# 1276:10 Unique 5.01, 5.73 A) &rst ixpk= 1276, nxpk= 10, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1905,1906, &end # # 0 AMB 10-2:1277 8 VAL HN 4.50 (# 1277:10 Single Ambig) &rst ixpk= 1277, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 882, 253, 254, &end # # 62 ASP HB+ 8 VAL HN 5.50 (# 1278:10 Unique 3.50, 4.56 A) &rst ixpk= 1278, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 898, 899, &end # # 7 CYS HB+ 8 VAL HN 4.50 (# 1279:10 Unique 3.12, 3.67 A) &rst ixpk= 1279, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 105, 106, &end # # 81 ILE QD1 82 ALA HN 5.50 (# 1280:10 Unique 4.92, 5.71 A) &rst ixpk= 1280, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1179,1180,1181, &end # # 81 ILE HG1+ 82 ALA HN 4.50 (# 1281:10 Unique 4.22, 4.66 A) &rst ixpk= 1281, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 0 AMB 10-2:1282 82 ALA HN 5.50 (# 1282:10 Single Ambig) &rst ixpk= 1282, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1199,1200,1364,1365, &end # # 0 AMB 10-2:1283 82 ALA HN 5.50 (# 1283:10 Single Ambig) &rst ixpk= 1283, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1202,1203,1199,1200, &end # # 0 AMB 10-2:1284 82 ALA HN 5.50 (# 1284:10 Single Ambig) &rst ixpk= 1284, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1364,1365,1217,1218, &end # # 95 ASN HB+ 82 ALA HN 5.50 (# 1286:10 Unique 2.82, 3.66 A) &rst ixpk= 1286, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1394,1395, &end # # 80 ASP HA 82 ALA HN 5.50 (# 1287:10 Unique 3.74, 4.02 A) &rst ixpk= 1287, nxpk= 10, iat=1156,1185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 PHE HD 82 ALA HN 5.50 (# 1288:10 Unique 5.34, 7.15 A) &rst ixpk= 1288, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 0 AMB 10-2:1289 25 LYS HN 4.50 (# 1289:10 Single Ambig) &rst ixpk= 1289, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 301, 282, &end # # 136 TYR HD 25 LYS HN 5.50 (# 1290:10 Unique 5.00, 6.09 A) &rst ixpk= 1290, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2056,2065, &end # # 21 LEU HA 25 LYS HN 5.50 (# 1292:10 Unique 4.30, 4.49 A) &rst ixpk= 1292, nxpk= 10, iat= 265, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HA 25 LYS HN 3.50 (# 1293:10 Unique 3.56, 3.57 A) &rst ixpk= 1293, nxpk= 10, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HG+ 25 LYS HN 5.50 (# 1294:10 Unique 3.20, 3.81 A) &rst ixpk= 1294, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 318, 319, &end # # 0 AMB 10-2:1295 25 LYS HN 4.50 (# 1295:10 Single Ambig) &rst ixpk= 1295, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 339, 340, 339, 340, 286, 287, &end # # 26 CYS HB+ 25 LYS HN 5.50 (# 1297:10 Unique 4.58, 5.54 A) &rst ixpk= 1297, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 124 MET HG- 129 LYS HN 4.50 (# 1298:10 Unique 2.69, 3.48 A) &rst ixpk= 1298, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1869,1870, &end # # 0 AMB 10-2:1299 129 LYS HN 5.50 (# 1299:10 Single Ambig) &rst ixpk= 1299, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1900,1901,1900,1901, &end # # 0 AMB 10-2:1300 129 LYS HN 5.50 (# 1300:10 Single Ambig) &rst ixpk= 1300, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1881,1967,1864, &end # # 0 AMB 10-2:1301 129 LYS HN 5.50 (# 1301:10 Single Ambig) &rst ixpk= 1301, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1920,1883, &end # # 126 GLN HN 129 LYS HN 5.50 (# 1302:10 Unique 4.75, 4.83 A) &rst ixpk= 1302, nxpk= 10, iat=1893,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 MET HB- 122 TYR HN 5.50 (# 1303:10 Unique 5.86, 6.17 A) &rst ixpk= 1303, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 181, 182, &end # # 121 TYR HB+ 122 TYR HN 4.50 (# 1304:10 Unique 3.87, 4.32 A) &rst ixpk= 1304, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1810,1811, &end # # 0 AMB 10-2:1305 122 TYR HN 4.50 (# 1305:10 Single Ambig) &rst ixpk= 1305, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1781,1782,1849,1850, &end # # 0 AMB 10-2:1306 122 TYR HN 4.50 (# 1306:10 Single Ambig) &rst ixpk= 1306, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1781,1782,1849,1850, &end # # 14 GLY HA- 122 TYR HN 4.50 (# 1307:10 Unique 4.05, 4.48 A) &rst ixpk= 1307, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 196, 197, &end # # 14 GLY HA+ 122 TYR HN 4.50 (# 1308:10 Unique 4.05, 4.48 A) &rst ixpk= 1308, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 196, 197, &end # # 13 MET HA 122 TYR HN 4.50 (# 1309:10 Unique 3.43, 3.49 A) &rst ixpk= 1309, nxpk= 10, iat= 179,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 GLY HN 122 TYR HN 5.50 (# 1310:10 Unique 4.20, 4.41 A) &rst ixpk= 1310, nxpk= 10, iat=1779,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HE 122 TYR HN 5.50 (# 1311:10 Unique 4.96, 5.81 A) &rst ixpk= 1311, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1837,1842, &end # # 121 TYR HD 122 TYR HN 5.50 (# 1312:10 Unique 4.58, 5.50 A) &rst ixpk= 1312, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1814,1823, &end # # 32 GLY HN 31 LYS HN 5.50 (# 1313:10 Unique 4.04, 4.43 A) &rst ixpk= 1313, nxpk= 10, iat= 425, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HD1 31 LYS HN 5.50 (# 1314:10 Unique 4.56, 5.86 A) &rst ixpk= 1314, nxpk= 10, iat= 454, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1315 31 LYS HN 5.50 (# 1315:10 Single Ambig) &rst ixpk= 1315, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 446,2056,2065, &end # # 0 AMB 10-2:1317 31 LYS HN 5.50 (# 1317:10 Single Ambig) &rst ixpk= 1317, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 427, 428, 427, 428,2131, 448, 361, &end # # 0 AMB 10-2:1318 31 LYS HN 5.50 (# 1318:10 Single Ambig) &rst ixpk= 1318, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 390, 391,2071, &end # # 30 PRO HD- 31 LYS HN 5.50 (# 1319:10 Unique 5.22, 5.50 A) &rst ixpk= 1319, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 390, 391, &end # # 0 AMB 10-2:1320 31 LYS HN 5.50 (# 1320:10 Single Ambig) &rst ixpk= 1320, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 352, 353, 450, 451, &end # # 0 AMB 10-2:1321 31 LYS HN 5.50 (# 1321:10 Single Ambig) &rst ixpk= 1321, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 352, 353, 450, 451, &end # # 31 LYS HE- 31 LYS HN 5.50 (# 1322:10 Unique 2.86, 4.78 A) &rst ixpk= 1322, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 416, 417, &end # # 30 PRO HG+ 31 LYS HN 5.50 (# 1323:10 Unique 4.49, 5.12 A) &rst ixpk= 1323, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 393, 394, &end # # 31 LYS HG- 31 LYS HN 4.50 (# 1325:10 Unique 1.79, 2.96 A) &rst ixpk= 1325, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 410, 411, &end # # 139 LEU MDX 31 LYS HN 5.50 (# 1326:10 Unique 3.41, 6.56 A) &rst ixpk= 1326, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 121 TYR HN 120 PHE HN 4.50 (# 1327:10 Unique 3.41, 4.49 A) &rst ixpk= 1327, nxpk= 10, iat=1806,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 PHE HD 120 PHE HN 5.50 (# 1328:10 Unique 2.16, 3.46 A) &rst ixpk= 1328, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1794,1802, &end # # 122 TYR HD 120 PHE HN 5.50 (# 1329:10 Unique 3.53, 5.62 A) &rst ixpk= 1329, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1835,1844, &end # # 122 TYR HE 120 PHE HN 5.50 (# 1330:10 Unique 4.42, 5.91 A) &rst ixpk= 1330, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1837,1842, &end # # 119 GLY HN 120 PHE HN 5.50 (# 1331:10 Unique 4.08, 4.22 A) &rst ixpk= 1331, nxpk= 10, iat=1779,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ILE HN 75 ILE HN 5.50 (# 1332:10 Unique 4.49, 4.51 A) &rst ixpk= 1332, nxpk= 10, iat=1097,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1333 75 ILE HN 5.50 (# 1333:10 Single Ambig) &rst ixpk= 1333, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2245,1675, &end # # 111 LEU MDX 75 ILE HN 5.50 (# 1334:10 Unique 5.12, 6.76 A) &rst ixpk= 1334, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 10-2:1335 75 ILE HN 5.50 (# 1335:10 Single Ambig) &rst ixpk= 1335, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1107,1108,2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:1336 75 ILE HN 5.50 (# 1336:10 Single Ambig) &rst ixpk= 1336, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2276,2277,1663, &end # # 74 ARG HG+ 75 ILE HN 4.50 (# 1337:10 Unique 4.90, 5.00 A) &rst ixpk= 1337, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1061,1062, &end # # 150 GLN HB+ 75 ILE HN 4.50 (# 1338:10 Unique 4.77, 5.20 A) &rst ixpk= 1338, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2259,2260, &end # # 150 GLN HG+ 75 ILE HN 5.50 (# 1339:10 Unique 4.01, 4.90 A) &rst ixpk= 1339, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2262,2263, &end # # 74 ARG HD+ 75 ILE HN 4.50 (# 1340:10 Unique 3.68, 3.85 A) &rst ixpk= 1340, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1064,1065, &end # # 148 PHE HB- 75 ILE HN 5.50 (# 1341:10 Unique 3.51, 4.05 A) &rst ixpk= 1341, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2229,2230, &end # # 0 AMB 10-2:1342 75 ILE HN 5.50 (# 1342:10 Single Ambig) &rst ixpk= 1342, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2229,2230,2201,2202, &end # # 74 ARG HD- 75 ILE HN 4.50 (# 1343:10 Unique 3.68, 3.85 A) &rst ixpk= 1343, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1064,1065, &end # # 93 PRO HD+ 92 MET HN 4.50 (# 1344:10 Unique 4.36, 4.87 A) &rst ixpk= 1344, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1358,1359, &end # # 112 GLY HA- 64 THR HN 5.50 (# 1345:10 Unique 3.72, 3.88 A) &rst ixpk= 1345, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1677,1678, &end # # 113 ILE HB 64 THR HN 4.50 (# 1346:10 Unique 3.79, 3.88 A) &rst ixpk= 1346, nxpk= 10, iat=1686, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1347 116 ASP HN 3.50 (# 1347:10 Single Ambig) &rst ixpk= 1347, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1769,1770,1771,1773,1774,1775,1754,1755,1930,1931, 1932, &end # # 0 AMB 10-2:1348 116 ASP HN 5.50 (# 1348:10 Single Ambig) &rst ixpk= 1348, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1757,1758,1759,1688,1689,1690, &end # # 0 AMB 10-2:1349 116 ASP HN 5.50 (# 1349:10 Single Ambig) &rst ixpk= 1349, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1754,1755, 910, 911, 912, &end # # 0 AMB 10-2:1350 116 ASP HN 3.50 (# 1350:10 Single Ambig) &rst ixpk= 1350, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1725,1726,1006,1007, &end # # 0 AMB 10-2:1351 116 ASP HN 5.50 (# 1351:10 Single Ambig) &rst ixpk= 1351, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=1928,1708,1709,1705,1706,1705,1706, &end # # 0 AMB 10-2:1352 116 ASP HN 4.50 (# 1352:10 Single Ambig) &rst ixpk= 1352, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1006,1007,1914,1915, &end # # 0 AMB 10-2:1353 116 ASP HN 5.50 (# 1353:10 Single Ambig) &rst ixpk= 1353, nxpk= 10, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1009,1719,1720,1911,1912, &end # # 15 ASP HA 116 ASP HN 5.50 (# 1354:10 Unique 5.03, 5.35 A) &rst ixpk= 1354, nxpk= 10, iat= 203,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ASP HN 116 ASP HN 5.50 (# 1355:10 Unique 4.59, 4.79 A) &rst ixpk= 1355, nxpk= 10, iat= 201,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 120 PHE HN 121 TYR HN 4.50 (# 1356:10 Unique 3.41, 4.49 A) &rst ixpk= 1356, nxpk= 10, iat=1786,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 120 PHE HD 121 TYR HN 4.50 (# 1357:10 Unique 3.90, 4.98 A) &rst ixpk= 1357, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1794,1802, &end # # 121 TYR HD 121 TYR HN 5.50 (# 1358:10 Unique 3.35, 4.55 A) &rst ixpk= 1358, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1814,1823, &end # # 13 MET HA 121 TYR HN 4.50 (# 1359:10 Unique 2.84, 3.13 A) &rst ixpk= 1359, nxpk= 10, iat= 179,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 TYR HB+ 121 TYR HN 4.50 (# 1360:10 Unique 3.08, 3.70 A) &rst ixpk= 1360, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1810,1811, &end # # 120 PHE HB- 121 TYR HN 4.50 (# 1361:10 Unique 2.76, 3.60 A) &rst ixpk= 1361, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1790,1791, &end # # 120 PHE HB+ 121 TYR HN 4.50 (# 1362:10 Unique 2.76, 3.60 A) &rst ixpk= 1362, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1790,1791, &end # # 0 AMB 10-2:1363 121 TYR HN 5.50 (# 1363:10 Single Ambig) &rst ixpk= 1363, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 167, 168,1831,1832, &end # # 13 MET HB- 121 TYR HN 5.50 (# 1364:10 Unique 4.74, 5.44 A) &rst ixpk= 1364, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 181, 182, &end # # 12 MET HB- 121 TYR HN 5.50 (# 1365:10 Unique 2.57, 3.93 A) &rst ixpk= 1365, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 164, 165, &end # # 149 ALA HN 150 GLN HN 4.50 (# 1366:10 Unique 4.50, 4.57 A) &rst ixpk= 1366, nxpk= 10, iat=2245,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 151 LEU HN 150 GLN HN 4.50 (# 1367:10 Unique 4.45, 4.50 A) &rst ixpk= 1367, nxpk= 10, iat=2272,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 ASN HB- 33 ASN HN 3.50 (# 1369:10 Unique 2.86, 3.33 A) &rst ixpk= 1369, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 436, 437, &end # # 34 TRP HD1 33 ASN HN 4.50 (# 1370:10 Unique 2.32, 4.02 A) &rst ixpk= 1370, nxpk= 10, iat= 454, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 MET HB+ 12 MET HN 3.50 (# 1371:10 Unique 3.60, 4.16 A) &rst ixpk= 1371, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 181, 182, &end # # 10 ASN HB+ 12 MET HN 5.50 (# 1372:10 Unique 3.90, 4.49 A) &rst ixpk= 1372, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 139, 140, &end # # 0 AMB 10-2:1373 12 MET HN 5.50 (# 1373:10 Single Ambig) &rst ixpk= 1373, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 227, 228, 227, 228, &end # # 11 SER HB- 12 MET HN 4.50 (# 1374:10 Unique 3.16, 3.80 A) &rst ixpk= 1374, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 153, 154, &end # # 13 MET HA 12 MET HN 5.50 (# 1375:10 Unique 4.41, 4.53 A) &rst ixpk= 1375, nxpk= 10, iat= 179, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 ASN HD2+ 12 MET HN 5.50 (# 1376:10 Unique 4.16, 4.72 A) &rst ixpk= 1376, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 144, 145, &end # # 20 PRO HD- 21 LEU HN 5.50 (# 1377:10 Unique 3.27, 3.89 A) &rst ixpk= 1377, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 20 PRO HD+ 21 LEU HN 4.50 (# 1378:10 Unique 3.27, 3.89 A) &rst ixpk= 1378, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 250, 251, &end # # 19 GLY HA+ 22 LEU HN 5.50 (# 1379:10 Unique 3.26, 3.98 A) &rst ixpk= 1379, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 244, 245, &end # # 139 LEU MDY 138 ARG HN 5.50 (# 1380:10 Unique 3.41, 5.84 A) &rst ixpk= 1380, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDX 138 ARG HN 5.50 (# 1381:10 Unique 3.41, 5.84 A) &rst ixpk= 1381, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 137 GLN HG- 138 ARG HN 5.50 (# 1382:10 Unique 2.72, 3.21 A) &rst ixpk= 1382, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2076,2077, &end # # 137 GLN HG+ 138 ARG HN 5.50 (# 1383:10 Unique 2.72, 3.21 A) &rst ixpk= 1383, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2076,2077, &end # # 0 AMB 10-2:1384 138 ARG HN 4.50 (# 1384:10 Single Ambig) &rst ixpk= 1384, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2096,2097,2052,2053, &end # # 138 ARG HD- 138 ARG HN 4.50 (# 1385:10 Unique 3.53, 5.05 A) &rst ixpk= 1385, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2096,2097, &end # # 0 AMB 10-2:1386 0 AMB 10-1:1386 4.50 (# 1386:10 Double Ambig) &rst ixpk= 1386, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 425,1116, igr2=2129,1154, &end # # 141 GLY HN 140 GLU HN 4.50 (# 1387:10 Unique 2.73, 2.88 A) &rst ixpk= 1387, nxpk= 10, iat=2144,2129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 142 TRP HN 140 GLU HN 5.50 (# 1388:10 Unique 4.03, 4.18 A) &rst ixpk= 1388, nxpk= 10, iat=2151,2129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1389 0 AMB 10-1:1389 5.50 (# 1389:10 Double Ambig) &rst ixpk= 1389, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2071,1168, igr2=2129,1154, &end # # 0 AMB 10-2:1390 140 GLU HN 4.50 (# 1390:10 Single Ambig) &rst ixpk= 1390, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2146,2147,2146,2147,2050,2153, &end # # 97 LEU HN 99 ASP HN 5.50 (# 1391:10 Unique 3.88, 4.17 A) &rst ixpk= 1391, nxpk= 10, iat=1425,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1392 0 AMB 10-1:1392 5.50 (# 1392:10 Double Ambig) &rst ixpk= 1392, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1322,1412,1421, igr2=1309,1463, &end # # 95 ASN HA 99 ASP HN 4.50 (# 1393:10 Unique 3.75, 4.17 A) &rst ixpk= 1393, nxpk= 10, iat=1392,1463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 LEU HA 99 ASP HN 5.50 (# 1394:10 Unique 4.32, 4.62 A) &rst ixpk= 1394, nxpk= 10, iat=1427,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 GLN HA 99 ASP HN 5.50 (# 1395:10 Unique 5.41, 5.56 A) &rst ixpk= 1395, nxpk= 10, iat=1477,1463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 HIS HB- 90 HIS HN 5.50 (# 1396:10 Unique 2.28, 3.33 A) &rst ixpk= 1396, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 0 AMB 10-2:1397 99 ASP HN 4.50 (# 1397:10 Single Ambig) &rst ixpk= 1397, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1457,1458,1459,1501,1502,1503,1505,1506,1507,1434, 1435,1436,1438,1439,1440,1172,1173,1174, &end # # 136 TYR HD 138 ARG HN 5.50 (# 1400:10 Unique 5.15, 5.88 A) &rst ixpk= 1400, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2056,2065, &end # # 136 TYR HN 138 ARG HN 5.50 (# 1401:10 Unique 3.94, 4.06 A) &rst ixpk= 1401, nxpk= 10, iat=2048,2086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 PHE HD 86 MET HN 5.50 (# 1402:10 Unique 4.99, 5.36 A) &rst ixpk= 1402, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 85 PHE HB+ 86 MET HN 3.50 (# 1403:10 Unique 2.87, 3.44 A) &rst ixpk= 1403, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1231,1232, &end # # 139 LEU MDY 140 GLU HN 5.50 (# 1404:10 Unique 4.54, 5.61 A) &rst ixpk= 1404, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDX 140 GLU HN 4.50 (# 1405:10 Unique 4.54, 5.61 A) &rst ixpk= 1405, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2119,2120,2121,2123,2124,2125, &end # # 31 LYS HE+ 140 GLU HN 5.50 (# 1406:10 Unique 3.32, 5.41 A) &rst ixpk= 1406, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 416, 417, &end # # 99 ASP HB- 101 LEU HN 5.50 (# 1407:10 Unique 4.84, 5.30 A) &rst ixpk= 1407, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1467,1468, &end # # 97 LEU HA 101 LEU HN 5.50 (# 1408:10 Unique 5.45, 5.58 A) &rst ixpk= 1408, nxpk= 10, iat=1427,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 ASP HA 101 LEU HN 4.50 (# 1409:10 Unique 3.63, 3.94 A) &rst ixpk= 1409, nxpk= 10, iat=1465,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE QG2 72 GLU HN 5.50 (# 1410:10 Unique 3.90, 4.69 A) &rst ixpk= 1410, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1688,1689,1690, &end # # 0 AMB 10-2:1411 72 GLU HN 4.50 (# 1411:10 Single Ambig) &rst ixpk= 1411, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939,1048,1049,1050, &end # # 0 AMB 10-2:1412 72 GLU HN 5.50 (# 1412:10 Single Ambig) &rst ixpk= 1412, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1934,1935,1930,1931,1932, &end # # 68 LEU HB- 72 GLU HN 5.50 (# 1413:10 Unique 4.66, 5.25 A) &rst ixpk= 1413, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 970, 971, &end # # 0 AMB 10-2:1414 72 GLU HN 4.50 (# 1414:10 Single Ambig) &rst ixpk= 1414, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 970, 971,1981,1982,1983, &end # # 0 AMB 10-2:1415 72 GLU HN 4.50 (# 1415:10 Single Ambig) &rst ixpk= 1415, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 989, 990, 989, 990, &end # # 0 AMB 10-2:1416 72 GLU HN 5.50 (# 1416:10 Single Ambig) &rst ixpk= 1416, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1684,1728, &end # # 0 AMB 10-2:1417 72 GLU HN 5.50 (# 1417:10 Single Ambig) &rst ixpk= 1417, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1703, 968, &end # # 0 AMB 10-2:1418 53 LEU HN 4.50 (# 1418:10 Single Ambig) &rst ixpk= 1418, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 773, 774, 752, 753, 752, 753, &end # # 10 ASN HB+ 13 MET HN 4.50 (# 1419:10 Unique 3.26, 4.33 A) &rst ixpk= 1419, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 139, 140, &end # # 33 ASN HB- 34 TRP HN 4.50 (# 1420:10 Unique 3.87, 4.60 A) &rst ixpk= 1420, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 436, 437, &end # # 0 AMB 10-2:1422 34 TRP HN 4.50 (# 1422:10 Single Ambig) &rst ixpk= 1422, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 407, 408, 39, 40, &end # # 3 ASP HB- 34 TRP HN 5.50 (# 1423:10 Unique 4.10, 5.22 A) &rst ixpk= 1423, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 39, 40, &end # # 0 AMB 10-2:1424 34 TRP HN 5.50 (# 1424:10 Single Ambig) &rst ixpk= 1424, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2114,2115, 70, &end # # 36 VAL MGY 34 TRP HN 5.50 (# 1425:10 Unique 4.99, 7.01 A) &rst ixpk= 1425, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 10-2:1426 34 TRP HN 5.50 (# 1426:10 Single Ambig) &rst ixpk= 1426, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 67, 68, 476, 477, 478, 480, 481, 482, &end # # 139 LEU MDX 34 TRP HN 5.50 (# 1427:10 Unique 3.47, 6.08 A) &rst ixpk= 1427, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 35 VAL HN 34 TRP HN 4.50 (# 1428:10 Unique 4.25, 4.43 A) &rst ixpk= 1428, nxpk= 10, iat= 470, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 GLY HN 34 TRP HN 5.50 (# 1429:10 Unique 4.58, 4.87 A) &rst ixpk= 1429, nxpk= 10, iat= 425, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 126 GLN HE2- 130 ASP HN 4.50 (# 1430:10 Unique 2.72, 3.54 A) &rst ixpk= 1430, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1905,1906, &end # # 132 VAL HN 130 ASP HN 5.50 (# 1431:10 Unique 4.19, 4.29 A) &rst ixpk= 1431, nxpk= 10, iat=1987,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 128 ILE HN 130 ASP HN 4.50 (# 1432:10 Unique 4.12, 4.25 A) &rst ixpk= 1432, nxpk= 10, iat=1924,1965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1433 130 ASP HN 5.50 (# 1433:10 Single Ambig) &rst ixpk= 1433, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1900,1901,1900,1901, &end # # 0 AMB 10-2:1434 130 ASP HN 5.50 (# 1434:10 Single Ambig) &rst ixpk= 1434, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2007,2008,1897,1898,1897,1898, &end # # 0 AMB 10-2:1435 130 ASP HN 4.50 (# 1435:10 Single Ambig) &rst ixpk= 1435, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2007,2008,1928,1991,1914,1915, &end # # 93 PRO HA 96 TYR HN 5.50 (# 1436:10 Unique 4.53, 4.84 A) &rst ixpk= 1436, nxpk= 10, iat=1367,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 133 GLU HN 136 TYR HN 5.50 (# 1439:10 Unique 4.76, 4.80 A) &rst ixpk= 1439, nxpk= 10, iat=2003,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1440 136 TYR HN 5.50 (# 1440:10 Single Ambig) &rst ixpk= 1440, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2086, 282, &end # # 72 GLU HN 69 ASN HN 5.50 (# 1441:10 Unique 4.08, 4.17 A) &rst ixpk= 1441, nxpk= 10, iat=1020, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 ASN HD2- 69 ASN HN 5.50 (# 1442:10 Unique 4.37, 5.24 A) &rst ixpk= 1442, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 994, 995, &end # # 68 LEU HN 69 ASN HN 4.50 (# 1443:10 Unique 3.12, 3.23 A) &rst ixpk= 1443, nxpk= 10, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 ASN HD2+ 69 ASN HN 5.50 (# 1444:10 Unique 4.37, 5.24 A) &rst ixpk= 1444, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 994, 995, &end # # 32 GLY HN 33 ASN HN 5.50 (# 1445:10 Unique 2.58, 3.62 A) &rst ixpk= 1445, nxpk= 10, iat= 425, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1446 136 TYR HN 5.50 (# 1446:10 Single Ambig) &rst ixpk= 1446, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2073,2074,2010,2011, &end # # 0 AMB 10-2:1447 136 TYR HN 5.50 (# 1447:10 Single Ambig) &rst ixpk= 1447, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 286, 287, 339, 340, 339, 340,2010,2011, &end # # 135 VAL HA 136 TYR HN 4.50 (# 1448:10 Unique 3.59, 3.62 A) &rst ixpk= 1448, nxpk= 10, iat=2034,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1449 136 TYR HN 5.50 (# 1449:10 Single Ambig) &rst ixpk= 1449, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 284,2071, &end # # 0 AMB 10-2:1450 136 TYR HN 4.50 (# 1450:10 Single Ambig) &rst ixpk= 1450, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2119,2120,2121,2123,2124,2125, 330, 331, &end # # 49 ALA MB 51 ARG HN 4.50 (# 1451:10 Unique 4.99, 5.55 A) &rst ixpk= 1451, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 662, 663, 664, &end # # 0 AMB 10-2:1452 51 ARG HN 4.50 (# 1452:10 Single Ambig) &rst ixpk= 1452, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 715, 716, 715, 716, &end # # 52 GLU HG+ 51 ARG HN 5.50 (# 1453:10 Unique 4.87, 5.53 A) &rst ixpk= 1453, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 718, 719, &end # # 0 AMB 10-2:1454 51 ARG HN 4.50 (# 1454:10 Single Ambig) &rst ixpk= 1454, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 697, 698, 697, 698, &end # # 49 ALA HA 51 ARG HN 4.50 (# 1455:10 Unique 4.49, 4.55 A) &rst ixpk= 1455, nxpk= 10, iat= 660, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 PRO HD- 69 ASN HN 5.50 (# 1456:10 Unique 4.57, 4.84 A) &rst ixpk= 1456, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1000,1001, &end # # 0 AMB 10-2:1457 85 PHE HN 5.50 (# 1457:10 Single Ambig) &rst ixpk= 1457, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1217,1218, 949, 950, &end # # 0 AMB 10-2:1458 85 PHE HN 5.50 (# 1458:10 Single Ambig) &rst ixpk= 1458, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1217,1218,1364,1365, &end # # 0 AMB 10-2:1459 85 PHE HN 4.50 (# 1459:10 Single Ambig) &rst ixpk= 1459, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1251,1252,1268,1269,1199,1200,1202,1203, &end # # 82 ALA MB 85 PHE HN 5.50 (# 1460:10 Unique 6.07, 6.39 A) &rst ixpk= 1460, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1189,1190,1191, &end # # 16 ASP HB+ 10 ASN HN 4.50 (# 1461:10 Unique 2.98, 3.96 A) &rst ixpk= 1461, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 217, 218, &end # # 13 MET HB+ 10 ASN HN 5.50 (# 1462:10 Unique 4.22, 4.66 A) &rst ixpk= 1462, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 181, 182, &end # # 0 AMB 10-2:1463 10 ASN HN 4.50 (# 1463:10 Single Ambig) &rst ixpk= 1463, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 181, 182, 188, 189, 190, &end # # 0 AMB 10-2:1464 10 ASN HN 5.50 (# 1464:10 Single Ambig) &rst ixpk= 1464, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124,1769,1770,1771,1773, 1774,1775, &end # # 20 PRO HD+ 10 ASN HN 5.50 (# 1465:10 Unique 3.79, 4.68 A) &rst ixpk= 1465, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 0 AMB 10-2:1466 10 ASN HN 4.50 (# 1466:10 Single Ambig) &rst ixpk= 1466, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 227, 228, 227, 228, &end # # 26 CYS HA 28 ALA HN 4.50 (# 1467:10 Unique 3.98, 4.26 A) &rst ixpk= 1467, nxpk= 10, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 ILE HN 72 GLU HN 4.50 (# 1468:10 Unique 4.38, 4.48 A) &rst ixpk= 1468, nxpk= 10, iat=1035,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 69 ASN HN 72 GLU HN 5.50 (# 1469:10 Unique 4.08, 4.17 A) &rst ixpk= 1469, nxpk= 10, iat= 985,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 GLY HN 10 ASN HN 4.50 (# 1471:10 Unique 4.33, 4.35 A) &rst ixpk= 1471, nxpk= 10, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1472 10 ASN HN 5.50 (# 1472:10 Single Ambig) &rst ixpk= 1472, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 225, 160, &end # # 0 AMB 10-2:1477 52 GLU HN 4.50 (# 1477:10 Single Ambig) &rst ixpk= 1477, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 670, 644, &end # # 0 AMB 10-2:1478 134 THR HN 4.50 (# 1478:10 Single Ambig) &rst ixpk= 1478, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2010,2011,2073,2074, &end # # 0 AMB 10-2:1479 134 THR HN 4.50 (# 1479:10 Single Ambig) &rst ixpk= 1479, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2010,2011, 339, 340, 339, 340, 286, 287, &end # # 0 AMB 10-2:1480 134 THR HN 5.50 (# 1480:10 Single Ambig) &rst ixpk= 1480, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2076,2077,1969,1970,1969,1970, &end # # 132 VAL HA 134 THR HN 4.50 (# 1481:10 Unique 3.48, 3.60 A) &rst ixpk= 1481, nxpk= 10, iat=1989,2018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 VAL HA 134 THR HN 5.50 (# 1482:10 Unique 4.83, 4.92 A) &rst ixpk= 1482, nxpk= 10, iat=2034,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 ASP HA 134 THR HN 5.50 (# 1483:10 Unique 4.51, 4.61 A) &rst ixpk= 1483, nxpk= 10, iat=1967,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1484 132 VAL HN 5.50 (# 1484:10 Single Ambig) &rst ixpk= 1484, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 339, 340, 339, 340,2010,2011, &end # # 0 AMB 10-2:1485 132 VAL HN 4.50 (# 1485:10 Single Ambig) &rst ixpk= 1485, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1969,1970,1969,1970,1869,1870,1956,1957, &end # # 128 ILE HA 132 VAL HN 4.50 (# 1486:10 Unique 4.00, 4.12 A) &rst ixpk= 1486, nxpk= 10, iat=1926,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 130 ASP HA 132 VAL HN 5.50 (# 1487:10 Unique 4.34, 4.43 A) &rst ixpk= 1487, nxpk= 10, iat=1967,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 ASP HB+ 79 ASP HN 4.50 (# 1488:10 Unique 3.52, 4.17 A) &rst ixpk= 1488, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1120,1121, &end # # 78 PRO HD- 79 ASP HN 4.50 (# 1489:10 Unique 3.25, 3.91 A) &rst ixpk= 1489, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1129,1130, &end # # 80 ASP HA 79 ASP HN 5.50 (# 1490:10 Unique 5.26, 5.31 A) &rst ixpk= 1490, nxpk= 10, iat=1156,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 ASP HA 79 ASP HN 5.50 (# 1491:10 Unique 4.23, 4.34 A) &rst ixpk= 1491, nxpk= 10, iat=1118,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 78 PRO HG- 79 ASP HN 5.50 (# 1492:10 Unique 2.94, 4.12 A) &rst ixpk= 1492, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1132,1133, &end # # 101 LEU HA 103 GLU HN 4.50 (# 1493:10 Unique 4.08, 4.33 A) &rst ixpk= 1493, nxpk= 10, iat=1494,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 ASP HA 0 AMB 10-1:1494 5.50 (# 1494:10 Single Ambig) &rst ixpk= 1494, nxpk= 10, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1533,1444, &end # # 0 AMB 10-2:1496 0 AMB 10-1:1496 5.50 (# 1496:10 Double Ambig) &rst ixpk= 1496, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1467,1468,1467,1468, igr2=1444,1533, &end # # 0 AMB 10-2:1497 98 ILE HN 5.50 (# 1497:10 Single Ambig) &rst ixpk= 1497, nxpk= 10, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1408,1409,1408,1409, &end # # 0 AMB 10-2:1498 0 AMB 10-1:1498 5.50 (# 1498:10 Double Ambig) &rst ixpk= 1498, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1552,1553,1640,1641, igr2=1533,1444, &end # # 97 LEU HA 98 ILE HN 4.50 (# 1499:10 Unique 3.55, 3.60 A) &rst ixpk= 1499, nxpk= 10, iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 GLY HA+ 16 ASP HN 5.50 (# 1500:10 Unique 3.57, 4.14 A) &rst ixpk= 1500, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 196, 197, &end # # 14 GLY HA- 16 ASP HN 4.50 (# 1501:10 Unique 3.57, 4.14 A) &rst ixpk= 1501, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 196, 197, &end # # 0 AMB 10-2:1502 16 ASP HN 4.50 (# 1502:10 Single Ambig) &rst ixpk= 1502, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 227, 228, 227, 228, 234, &end # # 13 MET HB+ 16 ASP HN 4.50 (# 1503:10 Unique 3.02, 4.50 A) &rst ixpk= 1503, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 181, 182, &end # # 0 AMB 10-2:1504 16 ASP HN 4.50 (# 1504:10 Single Ambig) &rst ixpk= 1504, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 910, 911, 912,1754,1755, &end # # 0 AMB 10-2:1505 16 ASP HN 4.50 (# 1505:10 Single Ambig) &rst ixpk= 1505, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 181, 182, 188, 189, 190, &end # # 0 AMB 10-2:1506 16 ASP HN 4.50 (# 1506:10 Single Ambig) &rst ixpk= 1506, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 184, 185,1725,1726,1873,1874,1875,1722,1723, &end # # 0 AMB 10-2:1507 139 LEU HN 5.50 (# 1507:10 Single Ambig) &rst ixpk= 1507, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=2131, 427, 428, 427, 428, &end # # 137 GLN HA 139 LEU HN 5.50 (# 1508:10 Unique 4.01, 4.23 A) &rst ixpk= 1508, nxpk= 10, iat=2071,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 135 VAL HA 139 LEU HN 5.50 (# 1509:10 Unique 4.35, 4.76 A) &rst ixpk= 1509, nxpk= 10, iat=2034,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1510 139 LEU HN 5.50 (# 1510:10 Single Ambig) &rst ixpk= 1510, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2136,2137,2073,2074, &end # # 0 AMB 10-2:1511 139 LEU HN 4.50 (# 1511:10 Single Ambig) &rst ixpk= 1511, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 407, 408, 413, 414,2093,2094, &end # # 31 LYS HB- 139 LEU HN 4.50 (# 1512:10 Unique 3.21, 4.64 A) &rst ixpk= 1512, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 407, 408, &end # # 22 LEU MDY 139 LEU HN 5.50 (# 1513:10 Unique 5.43, 7.07 A) &rst ixpk= 1513, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:1514 139 LEU HN 4.50 (# 1514:10 Single Ambig) &rst ixpk= 1514, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:1515 0 AMB 10-1:1515 5.50 (# 1515:10 Double Ambig) &rst ixpk= 1515, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1969,1970,1969,1970, igr2=1905,1906,1905,1906, &end # # 129 LYS HB+ 126 GLN HE2+ 4.50 (# 1516:10 Unique 2.54, 3.73 A) &rst ixpk= 1516, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1947,1948, igr2=1905,1906, &end # # 129 LYS HB- 126 GLN HE2+ 4.50 (# 1517:10 Unique 2.54, 3.73 A) &rst ixpk= 1517, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1947,1948, igr2=1905,1906, &end # # 129 LYS HD+ 126 GLN HE2+ 5.50 (# 1518:10 Unique 2.95, 4.71 A) &rst ixpk= 1518, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1953,1954, igr2=1905,1906, &end # # 129 LYS HD- 126 GLN HE2+ 4.50 (# 1519:10 Unique 2.95, 4.71 A) &rst ixpk= 1519, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1953,1954, igr2=1905,1906, &end # # 0 AMB 10-2:1520 0 AMB 10-1:1520 5.50 (# 1520:10 Double Ambig) &rst ixpk= 1520, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1950,1951,1950,1951,1917,1918, igr2=1905,1906,1905,1906,1905,1906, &end # # 130 ASP HN 126 GLN HE2+ 5.50 (# 1521:10 Unique 2.72, 3.54 A) &rst ixpk= 1521, nxpk= 10, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1905,1906, &end # # 130 ASP HA 126 GLN HE2+ 5.50 (# 1522:10 Unique 3.89, 4.21 A) &rst ixpk= 1522, nxpk= 10, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1905,1906, &end # # 126 GLN HA 126 GLN HE2+ 4.50 (# 1523:10 Unique 2.59, 3.33 A) &rst ixpk= 1523, nxpk= 10, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1905,1906, &end # # 82 ALA MB 84 MET HN 4.50 (# 1524:10 Unique 4.98, 5.64 A) &rst ixpk= 1524, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1189,1190,1191, &end # # 81 ILE HG1+ 84 MET HN 5.50 (# 1525:10 Unique 5.66, 5.97 A) &rst ixpk= 1525, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1176,1177, &end # # 81 ILE QG2 84 MET HN 5.50 (# 1526:10 Unique 5.24, 6.06 A) &rst ixpk= 1526, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1172,1173,1174, &end # # 0 AMB 10-2:1527 134 THR HN 5.50 (# 1527:10 Single Ambig) &rst ixpk= 1527, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:1528 134 THR HN 4.50 (# 1528:10 Single Ambig) &rst ixpk= 1528, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 10-2:1529 126 GLN HE2- 5.50 (# 1529:10 Single Ambig) &rst ixpk= 1529, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1969,1970,1969,1970, igr2=1905,1906, &end # # 115 PRO HA 117 ILE HN 4.50 (# 1530:10 Unique 3.93, 4.16 A) &rst ixpk= 1530, nxpk= 10, iat=1728,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE QG2 117 ILE HN 4.50 (# 1531:10 Unique 2.13, 3.41 A) &rst ixpk= 1531, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1750,1751,1752, &end # # 118 VAL MGX 117 ILE HN 4.50 (# 1532:10 Unique 3.59, 6.06 A) &rst ixpk= 1532, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1769,1770,1771,1773,1774,1775, &end # # 114 GLN HA 114 GLN HE2+ 5.50 (# 1533:10 Unique 3.07, 3.41 A) &rst ixpk= 1533, nxpk= 10, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 115 PRO HD+ 114 GLN HE2+ 4.50 (# 1534:10 Unique 1.95, 3.46 A) &rst ixpk= 1534, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1719,1720, igr2=1713,1714, &end # # 65 ASP HB+ 114 GLN HE2+ 5.50 (# 1535:10 Unique 3.72, 4.63 A) &rst ixpk= 1535, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 934, 935, igr2=1713,1714, &end # # 66 MET HN 114 GLN HE2+ 4.50 (# 1536:10 Unique 1.95, 2.82 A) &rst ixpk= 1536, nxpk= 10, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1713,1714, &end # # 142 TRP HN 139 LEU HN 5.50 (# 1540:10 Unique 4.64, 4.91 A) &rst ixpk= 1540, nxpk= 10, iat=2151,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HA 114 GLN HE2- 5.50 (# 1542:10 Unique 3.07, 3.41 A) &rst ixpk= 1542, nxpk= 10, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 115 PRO HD+ 114 GLN HE2- 4.50 (# 1543:10 Unique 1.95, 3.46 A) &rst ixpk= 1543, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1719,1720, igr2=1713,1714, &end # # 80 ASP HA 83 GLU HN 4.50 (# 1544:10 Unique 3.46, 3.64 A) &rst ixpk= 1544, nxpk= 10, iat=1156,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HN 83 GLU HN 5.50 (# 1545:10 Unique 4.38, 4.44 A) &rst ixpk= 1545, nxpk= 10, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HD 26 CYS HN 5.50 (# 1546:10 Unique 3.11, 5.06 A) &rst ixpk= 1546, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2056,2065, &end # # 28 ALA HN 26 CYS HN 5.50 (# 1547:10 Unique 4.21, 4.25 A) &rst ixpk= 1547, nxpk= 10, iat= 369, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HA 26 CYS HN 5.50 (# 1548:10 Unique 4.55, 4.75 A) &rst ixpk= 1548, nxpk= 10, iat= 313, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1550 26 CYS HN 5.50 (# 1550:10 Single Ambig) &rst ixpk= 1550, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 286, 287, 396, 397, 339, 340, 339, 340, &end # # 0 AMB 10-2:1551 26 CYS HN 5.50 (# 1551:10 Single Ambig) &rst ixpk= 1551, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 315, 316, 315, 316, &end # # 0 AMB 10-2:1552 26 CYS HN 4.50 (# 1552:10 Single Ambig) &rst ixpk= 1552, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, &end # # 0 AMB 10-2:1553 100 GLN HN 5.50 (# 1553:10 Single Ambig) &rst ixpk= 1553, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1501,1502,1503,1505,1506,1507,1434,1435,1436,1438, 1439,1440, &end # # 0 AMB 10-2:1554 100 GLN HN 4.50 (# 1554:10 Single Ambig) &rst ixpk= 1554, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1499,1496,1497, 633, 634, &end # # 98 ILE HA 100 GLN HN 5.50 (# 1555:10 Unique 3.74, 4.11 A) &rst ixpk= 1555, nxpk= 10, iat=1446,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 TYR HA 100 GLN HN 5.50 (# 1556:10 Unique 4.64, 5.12 A) &rst ixpk= 1556, nxpk= 10, iat=1406,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1557 104 ASP HN 5.50 (# 1557:10 Single Ambig) &rst ixpk= 1557, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1562,1465, &end # # 101 LEU HA 104 ASP HN 4.50 (# 1558:10 Unique 3.37, 3.88 A) &rst ixpk= 1558, nxpk= 10, iat=1494,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 GLU HG+ 104 ASP HN 5.50 (# 1559:10 Unique 2.54, 4.05 A) &rst ixpk= 1559, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1540,1541, &end # # 103 GLU HG- 104 ASP HN 5.50 (# 1560:10 Unique 2.54, 4.05 A) &rst ixpk= 1560, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1540,1541, &end # # 0 AMB 10-2:1561 104 ASP HN 4.50 (# 1561:10 Single Ambig) &rst ixpk= 1561, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1570,1571,1518,1519, 694, 695, &end # # 0 AMB 10-2:1562 104 ASP HN 4.50 (# 1562:10 Single Ambig) &rst ixpk= 1562, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1564,1518,1519, &end # # 105 ILE HG1+ 104 ASP HN 5.50 (# 1563:10 Unique 3.26, 4.50 A) &rst ixpk= 1563, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1570,1571, &end # # 0 AMB 10-2:1564 104 ASP HN 4.50 (# 1564:10 Single Ambig) &rst ixpk= 1564, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1501,1502,1503,1505,1506,1507,1607,1608,1609,1611, 1612,1613,1607,1608,1609,1611,1612,1613, &end # # 0 AMB 10-2:1565 104 ASP HN 4.50 (# 1565:10 Single Ambig) &rst ixpk= 1565, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,1566, 1567,1568, &end # # 93 PRO HA 95 ASN HN 5.50 (# 1566:10 Unique 3.01, 3.66 A) &rst ixpk= 1566, nxpk= 10, iat=1367,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 TYR HA 95 ASN HN 5.50 (# 1567:10 Unique 5.22, 5.32 A) &rst ixpk= 1567, nxpk= 10, iat=1406,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1569 95 ASN HN 5.50 (# 1569:10 Single Ambig) &rst ixpk= 1569, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1408,1409,1408,1409, &end # # 93 PRO HB+ 95 ASN HN 5.50 (# 1570:10 Unique 3.38, 4.62 A) &rst ixpk= 1570, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1364,1365, &end # # 0 AMB 10-2:1571 95 ASN HN 4.50 (# 1571:10 Single Ambig) &rst ixpk= 1571, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1364,1365,1361,1362,1361,1362, &end # # 94 LEU HB+ 95 ASN HN 4.50 (# 1572:10 Unique 3.43, 3.74 A) &rst ixpk= 1572, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1375,1376, &end # # 0 AMB 10-2:1573 95 ASN HN 4.50 (# 1573:10 Single Ambig) &rst ixpk= 1573, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1375,1376,1176,1177, &end # # 81 ILE QG2 95 ASN HN 4.50 (# 1574:10 Unique 2.06, 3.01 A) &rst ixpk= 1574, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1172,1173,1174, &end # # 143 GLU HN 144 GLY HN 5.50 (# 1575:10 Unique 2.22, 3.63 A) &rst ixpk= 1575, nxpk= 10, iat=2175,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 142 TRP HD1 144 GLY HN 5.50 (# 1576:10 Unique 1.98, 3.96 A) &rst ixpk= 1576, nxpk= 10, iat=2159,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 145 ASN HN 144 GLY HN 5.50 (# 1577:10 Unique 2.83, 3.85 A) &rst ixpk= 1577, nxpk= 10, iat=2197,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 143 GLU HG+ 144 GLY HN 5.50 (# 1578:10 Unique 2.79, 4.64 A) &rst ixpk= 1578, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2182,2183, &end # # 143 GLU HB- 144 GLY HN 4.50 (# 1579:10 Unique 3.03, 4.22 A) &rst ixpk= 1579, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2179,2180, &end # # 105 ILE QG2 56 THR HN 5.50 (# 1580:10 Unique 4.30, 5.44 A) &rst ixpk= 1580, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1566,1567,1568, &end # # 0 AMB 10-2:1581 56 THR HN 5.50 (# 1581:10 Single Ambig) &rst ixpk= 1581, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 53, 54, 55, 57, 58, 59,1570,1571, &end # # 2 THR MG2 56 THR HN 4.50 (# 1582:10 Unique 4.04, 4.98 A) &rst ixpk= 1582, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 27, 28, 29, &end # # 55 PRO HG- 56 THR HN 5.50 (# 1583:10 Unique 4.77, 5.19 A) &rst ixpk= 1583, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 773, 774, &end # # 0 AMB 10-2:1584 56 THR HN 4.50 (# 1584:10 Single Ambig) &rst ixpk= 1584, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 37, 799, &end # # 0 AMB 10-2:1585 39 GLY HN 4.50 (# 1585:10 Single Ambig) &rst ixpk= 1585, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510, &end # # 8 VAL MGY 39 GLY HN 5.50 (# 1586:10 Unique 3.18, 5.27 A) &rst ixpk= 1586, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 10-2:1587 39 GLY HN 4.50 (# 1587:10 Single Ambig) &rst ixpk= 1587, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 575, 576, 575, 576, 86, 87, 116, 572, 573, &end # # 38 ASP HB- 39 GLY HN 5.50 (# 1588:10 Unique 4.21, 4.42 A) &rst ixpk= 1588, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 525, 526, &end # # 7 CYS HB- 39 GLY HN 5.50 (# 1589:10 Unique 3.34, 4.21 A) &rst ixpk= 1589, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 7 CYS HB+ 39 GLY HN 4.50 (# 1590:10 Unique 3.34, 4.21 A) &rst ixpk= 1590, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 105, 106, &end # # 38 ASP HB+ 39 GLY HN 5.50 (# 1591:10 Unique 4.21, 4.42 A) &rst ixpk= 1591, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 525, 526, &end # # 40 GLY HA- 39 GLY HN 5.50 (# 1592:10 Unique 3.98, 4.79 A) &rst ixpk= 1592, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 542, 543, &end # # 40 GLY HA+ 39 GLY HN 5.50 (# 1593:10 Unique 3.98, 4.79 A) &rst ixpk= 1593, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 542, 543, &end # # 6 LEU HA 39 GLY HN 5.50 (# 1594:10 Unique 4.01, 4.32 A) &rst ixpk= 1594, nxpk= 10, iat= 84, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1595 141 GLY HN 5.50 (# 1595:10 Single Ambig) &rst ixpk= 1595, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2136,2137,2182,2183, &end # # 140 GLU HB+ 141 GLY HN 4.50 (# 1596:10 Unique 3.37, 4.22 A) &rst ixpk= 1596, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2133,2134, &end # # 140 GLU HB- 141 GLY HN 4.50 (# 1597:10 Unique 3.37, 4.22 A) &rst ixpk= 1597, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2133,2134, &end # # 0 AMB 10-2:1598 51 ARG HE 4.50 (# 1598:10 Single Ambig) &rst ixpk= 1598, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 691, 692, 691, 692, &end # # 72 GLU HG- 69 ASN HD2- 5.50 (# 1599:10 Unique 2.32, 5.02 A) &rst ixpk= 1599, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, igr2= 994, 995, &end # # 72 GLU HG+ 69 ASN HD2- 5.50 (# 1600:10 Unique 2.32, 5.02 A) &rst ixpk= 1600, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, igr2= 994, 995, &end # # 69 ASN HN 69 ASN HD2- 5.50 (# 1601:10 Unique 4.37, 5.24 A) &rst ixpk= 1601, nxpk= 10, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 994, 995, &end # # 69 ASN HN 69 ASN HD2+ 5.50 (# 1602:10 Unique 4.37, 5.24 A) &rst ixpk= 1602, nxpk= 10, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 994, 995, &end # # 134 THR MG2 138 ARG HE 5.50 (# 1603:10 Unique 2.65, 4.59 A) &rst ixpk= 1603, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2024,2025,2026, &end # # 138 ARG HG+ 138 ARG HE 5.50 (# 1604:10 Unique 2.23, 3.02 A) &rst ixpk= 1604, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2093,2094, &end # # 138 ARG HG- 138 ARG HE 5.50 (# 1605:10 Unique 2.23, 3.02 A) &rst ixpk= 1605, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2093,2094, &end # # 0 AMB 10-2:1606 138 ARG HE 4.50 (# 1606:10 Single Ambig) &rst ixpk= 1606, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2090,2091,2090,2091, &end # # 138 ARG HD+ 138 ARG HE 4.50 (# 1607:10 Unique 2.47, 2.81 A) &rst ixpk= 1607, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2096,2097, &end # # 138 ARG HA 138 ARG HE 5.50 (# 1608:10 Unique 3.26, 4.08 A) &rst ixpk= 1608, nxpk= 10, iat=2088,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1609 54 ARG HN 4.50 (# 1609:10 Single Ambig) &rst ixpk= 1609, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 755, 756, 755, 756, &end # # 51 ARG HA 54 ARG HN 4.50 (# 1610:10 Unique 3.27, 3.51 A) &rst ixpk= 1610, nxpk= 10, iat= 689, 745, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 PRO HA 54 ARG HN 5.50 (# 1611:10 Unique 4.92, 5.09 A) &rst ixpk= 1611, nxpk= 10, iat= 779, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 GLU HN 54 ARG HN 5.50 (# 1612:10 Unique 3.63, 3.76 A) &rst ixpk= 1612, nxpk= 10, iat= 711, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HH2 57 ARG HE 5.50 (# 1613:10 Unique 3.19, 5.78 A) &rst ixpk= 1613, nxpk= 10, iat= 461, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1614 57 ARG HE 5.50 (# 1614:10 Single Ambig) &rst ixpk= 1614, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 37, 799, &end # # 33 ASN HB+ 33 ASN HD2+ 4.50 (# 1615:10 Unique 2.27, 3.37 A) &rst ixpk= 1615, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 436, 437, igr2= 441, 442, &end # # 97 LEU HA 100 GLN HE2- 5.50 (# 1616:10 Unique 2.10, 3.00 A) &rst ixpk= 1616, nxpk= 10, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 100 GLN HA 100 GLN HE2- 5.50 (# 1617:10 Unique 2.99, 4.56 A) &rst ixpk= 1617, nxpk= 10, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 99 ASP HB- 100 GLN HE2- 5.50 (# 1618:10 Unique 2.19, 4.64 A) &rst ixpk= 1618, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468, igr2=1487,1488, &end # # 0 AMB 10-2:1619 100 GLN HE2- 5.50 (# 1619:10 Single Ambig) &rst ixpk= 1619, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1408,1409,1408,1409, igr2=1487,1488, &end # # 96 TYR HD 100 GLN HE2- 4.50 (# 1620:10 Unique 3.10, 5.64 A) &rst ixpk= 1620, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1412,1421, igr2=1487,1488, &end # # 95 ASN HB- 95 ASN HD2+ 4.50 (# 1621:10 Unique 2.60, 3.62 A) &rst ixpk= 1621, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1394,1395, igr2=1399,1400, &end # # 0 AMB 10-2:1622 0 AMB 10-1:1622 5.50 (# 1622:10 Double Ambig) &rst ixpk= 1622, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1392,1138, igr2=1399,1400,1399,1400, &end # # 137 GLN HA 137 GLN HE2+ 5.50 (# 1623:10 Unique 4.08, 5.41 A) &rst ixpk= 1623, nxpk= 10, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2081,2082, &end # # 133 GLU HG+ 137 GLN HE2+ 4.50 (# 1624:10 Unique 2.38, 3.49 A) &rst ixpk= 1624, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2010,2011, igr2=2081,2082, &end # # 0 AMB 10-2:1625 0 AMB 10-1:1625 4.50 (# 1625:10 Double Ambig) &rst ixpk= 1625, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=2010,2011,2073,2074, igr2=2081,2082,2081,2082, &end # # 137 GLN HB- 137 GLN HE2+ 5.50 (# 1626:10 Unique 2.46, 3.74 A) &rst ixpk= 1626, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2073,2074, igr2=2081,2082, &end # # 42 ALA HA 45 ASN HD2+ 5.50 (# 1627:10 Unique 3.98, 5.35 A) &rst ixpk= 1627, nxpk= 10, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 606, 607, &end # # 45 ASN HA 45 ASN HD2+ 4.50 (# 1628:10 Unique 3.43, 4.52 A) &rst ixpk= 1628, nxpk= 10, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 606, 607, &end # # 45 ASN HN 45 ASN HD2+ 4.50 (# 1629:10 Unique 2.18, 3.45 A) &rst ixpk= 1629, nxpk= 10, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 606, 607, &end # # 91 ASN HA 91 ASN HD2- 4.50 (# 1630:10 Unique 3.45, 4.47 A) &rst ixpk= 1630, nxpk= 10, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1335,1336, &end # # 0 AMB 10-2:1631 95 ASN HD2- 5.50 (# 1631:10 Single Ambig) &rst ixpk= 1631, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1135,1136,1361,1362, igr2=1399,1400, &end # # 95 ASN HB- 95 ASN HD2- 4.50 (# 1632:10 Unique 2.60, 3.62 A) &rst ixpk= 1632, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1394,1395, igr2=1399,1400, &end # # 0 AMB 10-2:1633 95 ASN HD2- 5.50 (# 1633:10 Single Ambig) &rst ixpk= 1633, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1392,1138, igr2=1399,1400, &end # # 82 ALA MB 95 ASN HD2- 5.50 (# 1634:10 Unique 3.17, 4.56 A) &rst ixpk= 1634, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1189,1190,1191, igr2=1399,1400, &end # # 87 MET HB- 88 THR HN 4.50 (# 1635:10 Unique 2.46, 3.58 A) &rst ixpk= 1635, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1268,1269, &end # # 87 MET HB+ 88 THR HN 4.50 (# 1636:10 Unique 2.46, 3.58 A) &rst ixpk= 1636, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1268,1269, &end # # 0 AMB 10-2:1637 88 THR HN 5.50 (# 1637:10 Single Ambig) &rst ixpk= 1637, nxpk= 10, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1271,1272,1251,1252, &end # # 113 ILE QG2 71 GLY HN 4.50 (# 1638:10 Unique 3.37, 4.00 A) &rst ixpk= 1638, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1688,1689,1690, &end # # 128 ILE HG1- 71 GLY HN 4.50 (# 1639:10 Unique 2.56, 3.36 A) &rst ixpk= 1639, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1934,1935, &end # # 70 PRO HB- 71 GLY HN 4.50 (# 1640:10 Unique 3.07, 3.50 A) &rst ixpk= 1640, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1006,1007, &end # # 0 AMB 10-2:1641 71 GLY HN 4.50 (# 1641:10 Single Ambig) &rst ixpk= 1641, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1917,1918,1027,1028, &end # # 0 AMB 10-2:1642 71 GLY HN 5.50 (# 1642:10 Single Ambig) &rst ixpk= 1642, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1728,1684,1883, &end # # 114 GLN HA 71 GLY HN 5.50 (# 1643:10 Unique 4.62, 4.68 A) &rst ixpk= 1643, nxpk= 10, iat=1703,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HN 71 GLY HN 5.50 (# 1644:10 Unique 3.67, 3.81 A) &rst ixpk= 1644, nxpk= 10, iat=1701,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 127 PRO HB- 71 GLY HN 5.50 (# 1645:10 Unique 3.52, 4.59 A) &rst ixpk= 1645, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1917,1918, &end # # 128 ILE HG1+ 71 GLY HN 5.50 (# 1646:10 Unique 2.56, 3.36 A) &rst ixpk= 1646, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1934,1935, &end # # 91 ASN HB+ 91 ASN HD2+ 4.50 (# 1647:10 Unique 2.22, 3.12 A) &rst ixpk= 1647, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1330,1331, igr2=1335,1336, &end # # 91 ASN HA 91 ASN HD2+ 5.50 (# 1648:10 Unique 3.45, 4.47 A) &rst ixpk= 1648, nxpk= 10, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1335,1336, &end # # 76 ILE HN 112 GLY HN 4.50 (# 1649:10 Unique 3.63, 3.68 A) &rst ixpk= 1649, nxpk= 10, iat=1097,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE HN 112 GLY HN 5.50 (# 1650:10 Unique 4.56, 4.58 A) &rst ixpk= 1650, nxpk= 10, iat=1682,1675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 LEU HA 112 GLY HN 2.80 (# 1651:10 Unique 2.03, 2.06 A) &rst ixpk= 1651, nxpk= 10, iat=1658,1675, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 64 THR HB 112 GLY HN 5.50 (# 1653:10 Unique 4.60, 4.89 A) &rst ixpk= 1653, nxpk= 10, iat= 920,1675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 LEU HB+ 112 GLY HN 4.50 (# 1654:10 Unique 4.22, 4.38 A) &rst ixpk= 1654, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1660,1661, &end # # 66 MET ME 112 GLY HN 5.50 (# 1655:10 Unique 5.46, 6.37 A) &rst ixpk= 1655, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 953, 954, 955, &end # # 76 ILE HG1+ 112 GLY HN 4.50 (# 1656:10 Unique 2.27, 3.05 A) &rst ixpk= 1656, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1107,1108, &end # # 75 ILE QD1 112 GLY HN 5.50 (# 1657:10 Unique 4.63, 5.55 A) &rst ixpk= 1657, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1091,1092,1093, &end # # 76 ILE HG1- 112 GLY HN 5.50 (# 1658:10 Unique 2.27, 3.05 A) &rst ixpk= 1658, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1107,1108, &end # # 73 ILE QG2 112 GLY HN 5.50 (# 1659:10 Unique 4.61, 5.48 A) &rst ixpk= 1659, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 20 PRO HD- 9 GLY HN 5.50 (# 1660:10 Unique 2.86, 3.87 A) &rst ixpk= 1660, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 40 GLY HA+ 9 GLY HN 4.50 (# 1661:10 Unique 2.11, 3.71 A) &rst ixpk= 1661, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 542, 543, &end # # 0 AMB 10-2:1662 9 GLY HN 4.50 (# 1662:10 Single Ambig) &rst ixpk= 1662, nxpk= 10, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 250, 251, 569, 570, &end # # 10 ASN HN 9 GLY HN 5.50 (# 1663:10 Unique 4.33, 4.35 A) &rst ixpk= 1663, nxpk= 10, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 SER HN 9 GLY HN 5.50 (# 1664:10 Unique 2.23, 3.97 A) &rst ixpk= 1664, nxpk= 10, iat= 547, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1665 106 GLY HN 5.50 (# 1665:10 Single Ambig) &rst ixpk= 1665, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 801, 802,1590,1591,1605, 825, 826, &end # # 56 THR MG2 106 GLY HN 5.50 (# 1666:10 Unique 4.09, 5.13 A) &rst ixpk= 1666, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 789, 790, 791, &end # # 0 AMB 10-2:1667 106 GLY HN 5.50 (# 1667:10 Single Ambig) &rst ixpk= 1667, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, &end # # 105 ILE HG1+ 106 GLY HN 4.50 (# 1668:10 Unique 4.11, 4.63 A) &rst ixpk= 1668, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1570,1571, &end # # 75 ILE QD1 150 GLN HE2- 5.50 (# 1669:10 Unique 6.07, 7.58 A) &rst ixpk= 1669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1091,1092,1093, igr2=2267,2268, &end # # 0 AMB 10-2:1670 150 GLN HE2- 5.50 (# 1670:10 Single Ambig) &rst ixpk= 1670, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287, igr2=2267,2268, &end # # 152 ALA MB 150 GLN HE2- 5.50 (# 1671:10 Unique 3.99, 6.27 A) &rst ixpk= 1671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2295,2296,2297, igr2=2267,2268, &end # # 75 ILE HB 150 GLN HE2- 5.50 (# 1672:10 Unique 3.20, 4.30 A) &rst ixpk= 1672, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 150 GLN HB- 150 GLN HE2- 3.50 (# 1673:10 Unique 2.79, 4.41 A) &rst ixpk= 1673, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2259,2260, igr2=2267,2268, &end # # 77 ASP HB- 150 GLN HE2- 4.50 (# 1674:10 Unique 2.63, 4.26 A) &rst ixpk= 1674, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1120,1121, igr2=2267,2268, &end # # 76 ILE HA 150 GLN HE2- 5.50 (# 1675:10 Unique 2.12, 2.60 A) &rst ixpk= 1675, nxpk= 10, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 150 GLN HA 150 GLN HE2- 5.50 (# 1676:10 Unique 2.72, 3.59 A) &rst ixpk= 1676, nxpk= 10, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 77 ASP HB+ 150 GLN HE2- 4.50 (# 1677:10 Unique 2.63, 4.26 A) &rst ixpk= 1677, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1120,1121, igr2=2267,2268, &end # # 75 ILE QD1 150 GLN HE2+ 5.50 (# 1678:10 Unique 6.07, 7.58 A) &rst ixpk= 1678, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1091,1092,1093, igr2=2267,2268, &end # # 0 AMB 10-2:1679 0 AMB 10-1:1679 4.50 (# 1679:10 Double Ambig) &rst ixpk= 1679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287, igr2=2267,2268,2267,2268, &end # # 77 ASP HB- 150 GLN HE2+ 4.50 (# 1680:10 Unique 2.63, 4.26 A) &rst ixpk= 1680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1120,1121, igr2=2267,2268, &end # # 77 ASP HB+ 150 GLN HE2+ 4.50 (# 1681:10 Unique 2.63, 4.26 A) &rst ixpk= 1681, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1120,1121, igr2=2267,2268, &end # # 76 ILE HA 150 GLN HE2+ 5.50 (# 1682:10 Unique 2.12, 2.60 A) &rst ixpk= 1682, nxpk= 10, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 150 GLN HA 150 GLN HE2+ 5.50 (# 1683:10 Unique 2.72, 3.59 A) &rst ixpk= 1683, nxpk= 10, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 41 SER HB- 10 ASN HD2+ 5.50 (# 1684:10 Unique 2.98, 5.23 A) &rst ixpk= 1684, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 144, 145, &end # # 0 AMB 10-2:1685 0 AMB 10-1:1685 4.50 (# 1685:10 Double Ambig) &rst ixpk= 1685, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 181, 182, 188, 189, 190, igr2= 144, 145, 144, 145, &end # # 13 MET HB+ 10 ASN HD2+ 4.50 (# 1686:10 Unique 2.44, 3.66 A) &rst ixpk= 1686, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 181, 182, igr2= 144, 145, &end # # 33 ASN HA 33 ASN HD2- 4.50 (# 1687:10 Unique 2.22, 4.09 A) &rst ixpk= 1687, nxpk= 10, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 441, 442, &end # # 15 ASP HN 14 GLY HN 4.50 (# 1688:10 Unique 4.31, 4.51 A) &rst ixpk= 1688, nxpk= 10, iat= 201, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 121 TYR HN 14 GLY HN 5.50 (# 1689:10 Unique 3.78, 4.12 A) &rst ixpk= 1689, nxpk= 10, iat=1806, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HN 14 GLY HN 4.50 (# 1690:10 Unique 2.75, 3.15 A) &rst ixpk= 1690, nxpk= 10, iat=1827, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1691 14 GLY HN 5.50 (# 1691:10 Single Ambig) &rst ixpk= 1691, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1788,1829, &end # # 12 MET HA 14 GLY HN 5.50 (# 1692:10 Unique 3.56, 3.80 A) &rst ixpk= 1692, nxpk= 10, iat= 162, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1693 14 GLY HN 5.50 (# 1693:10 Single Ambig) &rst ixpk= 1693, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1858,1765, &end # # 0 AMB 10-2:1694 145 ASN HD2- 5.50 (# 1694:10 Single Ambig) &rst ixpk= 1694, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2255,2197, igr2=2206,2207, &end # # 0 AMB 10-2:1695 145 ASN HD2- 5.50 (# 1695:10 Single Ambig) &rst ixpk= 1695, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2199,1080, igr2=2206,2207, &end # # 75 ILE QD1 145 ASN HD2- 5.50 (# 1696:10 Unique 4.48, 5.42 A) &rst ixpk= 1696, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1091,1092,1093, igr2=2206,2207, &end # # 75 ILE HG1+ 145 ASN HD2- 4.50 (# 1697:10 Unique 2.51, 3.44 A) &rst ixpk= 1697, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1088,1089, igr2=2206,2207, &end # # 75 ILE HB 145 ASN HD2- 5.50 (# 1698:10 Unique 2.83, 3.92 A) &rst ixpk= 1698, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2206,2207, &end # # 0 AMB 10-2:1699 145 ASN HD2- 5.50 (# 1699:10 Single Ambig) &rst ixpk= 1699, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2259,2260,2259,2260, igr2=2206,2207, &end # # 150 GLN HG+ 145 ASN HD2- 5.50 (# 1700:10 Unique 3.31, 4.35 A) &rst ixpk= 1700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2262,2263, igr2=2206,2207, &end # # 0 AMB 10-2:1701 0 AMB 10-1:1701 5.50 (# 1701:10 Double Ambig) &rst ixpk= 1701, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2255,2197, igr2=2206,2207,2206,2207, &end # # 147 GLY HN 145 ASN HD2+ 5.50 (# 1702:10 Unique 4.14, 5.63 A) &rst ixpk= 1702, nxpk= 10, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2206,2207, &end # # 0 AMB 10-2:1703 0 AMB 10-1:1703 5.50 (# 1703:10 Double Ambig) &rst ixpk= 1703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2199,1080, igr2=2206,2207,2206,2207, &end # # 149 ALA HA 145 ASN HD2+ 5.50 (# 1704:10 Unique 2.82, 4.08 A) &rst ixpk= 1704, nxpk= 10, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2206,2207, &end # # 150 GLN HG+ 145 ASN HD2+ 5.50 (# 1705:10 Unique 3.31, 4.35 A) &rst ixpk= 1705, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2262,2263, igr2=2206,2207, &end # # 150 GLN HB+ 145 ASN HD2+ 5.50 (# 1706:10 Unique 2.44, 4.59 A) &rst ixpk= 1706, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2259,2260, igr2=2206,2207, &end # # 75 ILE QD1 145 ASN HD2+ 5.50 (# 1707:10 Unique 4.48, 5.42 A) &rst ixpk= 1707, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1091,1092,1093, igr2=2206,2207, &end # # 75 ILE HG1+ 145 ASN HD2+ 5.50 (# 1708:10 Unique 2.51, 3.44 A) &rst ixpk= 1708, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1088,1089, igr2=2206,2207, &end # # 117 ILE QD1 119 GLY HN 5.50 (# 1709:10 Unique 3.51, 4.63 A) &rst ixpk= 1709, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1757,1758,1759, &end # # 118 VAL MGX 119 GLY HN 4.50 (# 1710:10 Unique 2.96, 4.29 A) &rst ixpk= 1710, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 10-2:1711 119 GLY HN 4.50 (# 1711:10 Single Ambig) &rst ixpk= 1711, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 181, 182, 188, 189, 190, &end # # 118 VAL HB 119 GLY HN 4.50 (# 1712:10 Unique 4.20, 4.27 A) &rst ixpk= 1712, nxpk= 10, iat=1767,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 MET HB+ 119 GLY HN 5.50 (# 1713:10 Unique 3.61, 4.48 A) &rst ixpk= 1713, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 181, 182, &end # # 122 TYR HB- 119 GLY HN 4.50 (# 1714:10 Unique 2.94, 3.90 A) &rst ixpk= 1714, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1831,1832, &end # # 122 TYR HB+ 119 GLY HN 5.50 (# 1715:10 Unique 2.94, 3.90 A) &rst ixpk= 1715, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1831,1832, &end # # 14 GLY HA- 119 GLY HN 5.50 (# 1716:10 Unique 2.89, 3.71 A) &rst ixpk= 1716, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 196, 197, &end # # 14 GLY HA+ 119 GLY HN 5.50 (# 1717:10 Unique 2.89, 3.71 A) &rst ixpk= 1717, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 196, 197, &end # # 0 AMB 10-2:1718 119 GLY HN 5.50 (# 1718:10 Single Ambig) &rst ixpk= 1718, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1788,1829, &end # # 13 MET HA 119 GLY HN 5.50 (# 1719:10 Unique 2.94, 3.26 A) &rst ixpk= 1719, nxpk= 10, iat= 179,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HD 119 GLY HN 5.50 (# 1720:10 Unique 2.94, 4.88 A) &rst ixpk= 1720, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1835,1844, &end # # 120 PHE HN 119 GLY HN 5.50 (# 1721:10 Unique 4.08, 4.22 A) &rst ixpk= 1721, nxpk= 10, iat=1786,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 118 VAL HN 119 GLY HN 4.50 (# 1722:10 Unique 4.07, 4.21 A) &rst ixpk= 1722, nxpk= 10, iat=1763,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 ASP HN 119 GLY HN 5.50 (# 1723:10 Unique 3.73, 4.32 A) &rst ixpk= 1723, nxpk= 10, iat= 201,1779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HB+ 14 GLY HN 5.50 (# 1724:10 Unique 2.82, 3.64 A) &rst ixpk= 1724, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1831,1832, &end # # 0 AMB 10-2:1725 14 GLY HN 4.50 (# 1725:10 Single Ambig) &rst ixpk= 1725, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1831,1832, 167, 168, &end # # 13 MET HB+ 14 GLY HN 5.50 (# 1726:10 Unique 4.37, 4.55 A) &rst ixpk= 1726, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 181, 182, &end # # 0 AMB 10-2:1727 14 GLY HN 5.50 (# 1727:10 Single Ambig) &rst ixpk= 1727, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1866,1867,1767, &end # # 0 AMB 10-2:1728 14 GLY HN 5.50 (# 1728:10 Single Ambig) &rst ixpk= 1728, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 181, 182, 188, 189, 190, &end # # 0 AMB 10-2:1729 67 GLY HN 5.50 (# 1729:10 Single Ambig) &rst ixpk= 1729, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 975, 976, 977, 979, 980, 981,2281,2282,2283,2285, 2286,2287, &end # # 68 LEU HG 67 GLY HN 5.50 (# 1730:10 Unique 4.37, 4.50 A) &rst ixpk= 1730, nxpk= 10, iat= 973, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 LEU HB- 67 GLY HN 5.50 (# 1731:10 Unique 5.12, 5.85 A) &rst ixpk= 1731, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 970, 971, &end # # 66 MET HB- 67 GLY HN 3.50 (# 1732:10 Unique 3.63, 4.04 A) &rst ixpk= 1732, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 946, 947, &end # # 0 AMB 10-2:1733 67 GLY HN 4.50 (# 1733:10 Single Ambig) &rst ixpk= 1733, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 949, 950,1708,1709,1268,1269,1705,1706,1705,1706, &end # # 66 MET HG+ 67 GLY HN 5.50 (# 1734:10 Unique 4.57, 5.05 A) &rst ixpk= 1734, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 949, 950, &end # # 65 ASP HB- 67 GLY HN 5.50 (# 1735:10 Unique 4.47, 4.62 A) &rst ixpk= 1735, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 934, 935, &end # # 65 ASP HB+ 67 GLY HN 5.50 (# 1736:10 Unique 4.47, 4.62 A) &rst ixpk= 1736, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 934, 935, &end # # 0 AMB 10-2:1737 67 GLY HN 5.50 (# 1737:10 Single Ambig) &rst ixpk= 1737, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, 920,1009, &end # # 0 AMB 10-2:1738 67 GLY HN 5.50 (# 1738:10 Single Ambig) &rst ixpk= 1738, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1703, 968, &end # # 0 AMB 10-2:1739 67 GLY HN 5.50 (# 1739:10 Single Ambig) &rst ixpk= 1739, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 946, 947,1268,1269, &end # # 31 LYS HG- 32 GLY HN 5.50 (# 1740:10 Unique 4.29, 4.89 A) &rst ixpk= 1740, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 410, 411, &end # # 0 AMB 10-2:1741 32 GLY HN 4.50 (# 1741:10 Single Ambig) &rst ixpk= 1741, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2114,2115, 410, 411, &end # # 31 LYS HD+ 32 GLY HN 4.50 (# 1742:10 Unique 3.01, 4.36 A) &rst ixpk= 1742, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 413, 414, &end # # 140 GLU HG- 32 GLY HN 5.50 (# 1743:10 Unique 1.71, 4.22 A) &rst ixpk= 1743, nxpk= 10, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2136,2137, &end # # 39 GLY HA+ 40 GLY HN 4.50 (# 1744:10 Unique 3.01, 3.34 A) &rst ixpk= 1744, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 535, 536, &end # # 6 LEU MDY 40 GLY HN 5.50 (# 1747:10 Unique 4.37, 6.41 A) &rst ixpk= 1747, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 91, 92, 93, 95, 96, 97, &end # # 8 VAL MGY 40 GLY HN 5.50 (# 1748:10 Unique 3.82, 5.81 A) &rst ixpk= 1748, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 33 ASN HN 32 GLY HN 4.50 (# 1749:10 Unique 2.58, 3.62 A) &rst ixpk= 1749, nxpk= 10, iat= 432, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 140 GLU HN 32 GLY HN 5.50 (# 1750:10 Unique 3.43, 3.92 A) &rst ixpk= 1750, nxpk= 10, iat=2129, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HD1 32 GLY HN 5.50 (# 1751:10 Unique 4.10, 5.19 A) &rst ixpk= 1751, nxpk= 10, iat= 454, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HN 32 GLY HN 5.50 (# 1752:10 Unique 4.58, 4.87 A) &rst ixpk= 1752, nxpk= 10, iat= 446, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HE2+ 67 GLY HN 5.50 (# 1753:10 Unique 2.10, 3.12 A) &rst ixpk= 1753, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 145 ASN HB- 146 GLY HN 5.50 (# 1759:10 Unique 3.03, 3.82 A) &rst ixpk= 1759, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2201,2202, &end # # 145 ASN HB+ 146 GLY HN 5.50 (# 1760:10 Unique 3.03, 3.82 A) &rst ixpk= 1760, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2201,2202, &end # # 0 AMB 10-2:1761 146 GLY HN 5.50 (# 1761:10 Single Ambig) &rst ixpk= 1761, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2155,2156,2220,2221, &end # # 147 GLY HA+ 146 GLY HN 5.50 (# 1762:10 Unique 4.72, 5.15 A) &rst ixpk= 1762, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2220,2221, &end # # 142 TRP HD1 146 GLY HN 5.50 (# 1763:10 Unique 3.06, 3.54 A) &rst ixpk= 1763, nxpk= 10, iat=2159,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1765 146 GLY HN 5.50 (# 1765:10 Single Ambig) &rst ixpk= 1765, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2225,2151, &end # # 148 PHE HD 146 GLY HN 5.50 (# 1766:10 Unique 4.65, 6.91 A) &rst ixpk= 1766, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2233,2241, &end # # 144 GLY HN 146 GLY HN 5.50 (# 1767:10 Unique 2.62, 3.88 A) &rst ixpk= 1767, nxpk= 10, iat=2190,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 142 TRP HE1 146 GLY HN 4.50 (# 1768:10 Unique 3.28, 3.93 A) &rst ixpk= 1768, nxpk= 10, iat=2161,2211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1769 17 GLY HN 4.50 (# 1769:10 Single Ambig) &rst ixpk= 1769, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 151, 153, 154, &end # # 20 PRO HD+ 17 GLY HN 5.50 (# 1770:10 Unique 5.21, 6.11 A) &rst ixpk= 1770, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 0 AMB 10-2:1771 17 GLY HN 4.50 (# 1771:10 Single Ambig) &rst ixpk= 1771, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 217, 218,1869,1870, 205, 206, &end # # 0 AMB 10-2:1772 17 GLY HN 4.50 (# 1772:10 Single Ambig) &rst ixpk= 1772, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 217, 218, 205, 206, &end # # 118 VAL MGX 17 GLY HN 5.50 (# 1773:10 Unique 4.99, 6.63 A) &rst ixpk= 1773, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 10-2:1774 17 GLY HN 5.50 (# 1774:10 Single Ambig) &rst ixpk= 1774, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1769,1770,1771,1773,1774,1775,1930,1931,1932, &end # # 18 ALA MB 17 GLY HN 5.50 (# 1775:10 Unique 4.61, 5.49 A) &rst ixpk= 1775, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 236, 237, 238, &end # # 0 AMB 10-2:1776 17 GLY HN 5.50 (# 1776:10 Single Ambig) &rst ixpk= 1776, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 910, 911, 912, 267, 268, &end # # 105 ILE HG1+ 105 ILE HN 3.50 (# 1777:10 Unique 2.24, 3.01 A) &rst ixpk= 1777, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1570,1571, &end # # 0 AMB 10-2:1778 147 GLY HN 5.50 (# 1778:10 Single Ambig) &rst ixpk= 1778, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2229,2230,2096,2097, &end # # 145 ASN HB- 147 GLY HN 4.50 (# 1779:10 Unique 2.60, 3.38 A) &rst ixpk= 1779, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2201,2202, &end # # 145 ASN HB+ 147 GLY HN 4.50 (# 1780:10 Unique 2.60, 3.38 A) &rst ixpk= 1780, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2201,2202, &end # # 0 AMB 10-2:1781 147 GLY HN 5.50 (# 1781:10 Single Ambig) &rst ixpk= 1781, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2192,2193,2155,2156, &end # # 148 PHE HA 147 GLY HN 5.50 (# 1782:10 Unique 4.44, 5.38 A) &rst ixpk= 1782, nxpk= 10, iat=2227,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 145 ASN HA 147 GLY HN 5.50 (# 1783:10 Unique 3.97, 4.47 A) &rst ixpk= 1783, nxpk= 10, iat=2199,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 148 PHE HD 147 GLY HN 5.50 (# 1784:10 Unique 3.84, 6.08 A) &rst ixpk= 1784, nxpk= 10, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2233,2241, &end # # 145 ASN HN 147 GLY HN 5.50 (# 1785:10 Unique 2.95, 3.66 A) &rst ixpk= 1785, nxpk= 10, iat=2197,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1786 5 LEU HN 5.50 (# 1786:10 Single Ambig) &rst ixpk= 1786, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 490, 776, 777, &end # # 34 TRP HB- 5 LEU HN 5.50 (# 1787:10 Unique 3.45, 4.25 A) &rst ixpk= 1787, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 0 AMB 10-2:1790 5 LEU HN 5.50 (# 1790:10 Single Ambig) &rst ixpk= 1790, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 486, 101, &end # # 0 AMB 10-2:1791 5 LEU HN 5.50 (# 1791:10 Single Ambig) &rst ixpk= 1791, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 47, 35, &end # # 6 LEU HN 5 LEU HN 5.50 (# 1792:10 Unique 3.96, 4.24 A) &rst ixpk= 1792, nxpk= 10, iat= 82, 63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 LEU HN 59 LEU HN 5.50 (# 1793:10 Unique 4.28, 4.34 A) &rst ixpk= 1793, nxpk= 10, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 VAL HN 59 LEU HN 5.50 (# 1794:10 Unique 3.92, 4.11 A) &rst ixpk= 1794, nxpk= 10, iat= 47, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HN 59 LEU HN 4.50 (# 1795:10 Unique 3.39, 3.56 A) &rst ixpk= 1795, nxpk= 10, iat= 82, 840, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE QD1 15 ASP HN 5.50 (# 1797:10 Unique 2.10, 3.91 A) &rst ixpk= 1797, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1757,1758,1759, &end # # 117 ILE HG1+ 15 ASP HN 5.50 (# 1798:10 Unique 2.87, 4.03 A) &rst ixpk= 1798, nxpk= 10, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1754,1755, &end # # 59 LEU MDX 59 LEU HN 4.50 (# 1799:10 Unique 4.36, 5.39 A) &rst ixpk= 1799, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 849, 850, 851, 853, 854, 855, &end # # 142 TRP HE1 143 GLU HN 5.50 (# 1800:10 Unique 4.20, 4.73 A) &rst ixpk= 1800, nxpk= 10, iat=2161,2175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 143 GLU HG+ 143 GLU HN 4.50 (# 1801:10 Unique 2.22, 4.15 A) &rst ixpk= 1801, nxpk= 10, iat= -1,2175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2182,2183, &end # # 0 AMB 10-2:1802 114 GLN HN 5.50 (# 1802:10 Single Ambig) &rst ixpk= 1802, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 916,1035, &end # # 71 GLY HN 114 GLN HN 4.50 (# 1803:10 Unique 3.67, 3.81 A) &rst ixpk= 1803, nxpk= 10, iat=1013,1701, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1804 125 THR HN 5.50 (# 1804:10 Single Ambig) &rst ixpk= 1804, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1754,1755,1930,1931,1932, &end # # 0 AMB 10-2:1805 125 THR HN 5.50 (# 1805:10 Single Ambig) &rst ixpk= 1805, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1873,1874,1875,1725,1726, &end # # 128 ILE HB 125 THR HN 5.50 (# 1806:10 Unique 3.27, 3.37 A) &rst ixpk= 1806, nxpk= 10, iat=1928,1879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ASP HA 125 THR HN 5.50 (# 1807:10 Unique 3.39, 3.57 A) &rst ixpk= 1807, nxpk= 10, iat= 203,1879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 ALA HA 44 GLU HN 4.50 (# 1808:10 Unique 3.42, 3.51 A) &rst ixpk= 1808, nxpk= 10, iat= 560, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 PRO HA 44 GLU HN 5.50 (# 1809:10 Unique 3.51, 3.54 A) &rst ixpk= 1809, nxpk= 10, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 PRO HD+ 44 GLU HN 4.50 (# 1810:10 Unique 2.62, 3.43 A) &rst ixpk= 1810, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 569, 570, &end # # 43 PRO HD- 44 GLU HN 5.50 (# 1811:10 Unique 2.62, 3.43 A) &rst ixpk= 1811, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 569, 570, &end # # 44 GLU HG+ 44 GLU HN 4.50 (# 1812:10 Unique 1.76, 2.96 A) &rst ixpk= 1812, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 589, 590, &end # # 44 GLU HG- 44 GLU HN 4.50 (# 1813:10 Unique 1.76, 2.96 A) &rst ixpk= 1813, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 589, 590, &end # # 42 ALA MB 44 GLU HN 5.50 (# 1814:10 Unique 4.09, 5.05 A) &rst ixpk= 1814, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 562, 563, 564, &end # # 0 AMB 10-2:1815 44 GLU HN 4.50 (# 1815:10 Single Ambig) &rst ixpk= 1815, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384, 1385,1386, &end # # 0 AMB 10-2:1817 142 TRP HE1 5.50 (# 1817:10 Single Ambig) &rst ixpk= 1817, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 807, 808,2201,2202, &end # # 142 TRP HB- 142 TRP HE1 5.50 (# 1818:10 Unique 4.69, 5.05 A) &rst ixpk= 1818, nxpk= 10, iat= -1,2161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2155,2156, &end # # 34 TRP HH2 142 TRP HE1 5.50 (# 1820:10 Unique 2.60, 7.04 A) &rst ixpk= 1820, nxpk= 10, iat= 461,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 142 TRP HE1 144 GLY HN 5.50 (# 1823:10 Unique 2.82, 3.59 A) &rst ixpk= 1823, nxpk= 10, iat=2161,2190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HN 35 VAL HN 5.50 (# 1825:10 Unique 4.25, 4.43 A) &rst ixpk= 1825, nxpk= 10, iat= 446, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 36 VAL HN 35 VAL HN 5.50 (# 1827:10 Unique 4.14, 4.48 A) &rst ixpk= 1827, nxpk= 10, iat= 486, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1828 35 VAL HN 4.50 (# 1828:10 Single Ambig) &rst ixpk= 1828, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 35, 47, &end # # 128 ILE QD1 125 THR HN 5.50 (# 1829:10 Unique 3.71, 5.12 A) &rst ixpk= 1829, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1937,1938,1939, &end # # 0 AMB 10-2:1830 125 THR HN 5.50 (# 1830:10 Single Ambig) &rst ixpk= 1830, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1866,1867,1852,1853, &end # # 125 THR HB 125 THR HN 4.50 (# 1831:10 Unique 3.10, 3.50 A) &rst ixpk= 1831, nxpk= 10, iat=1883,1879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1832 125 THR HN 5.50 (# 1832:10 Single Ambig) &rst ixpk= 1832, nxpk= 10, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1744,1862, &end # # 34 TRP HN 34 TRP HE1 5.50 (# 1833:10 Unique 4.40, 4.58 A) &rst ixpk= 1833, nxpk= 10, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 47 ILE QD1 44 GLU HN 5.50 (# 1834:10 Unique 5.01, 5.79 A) &rst ixpk= 1834, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 636, 637, 638, &end # # 17 GLY HN 15 ASP HN 5.50 (# 1835:10 Unique 4.38, 4.56 A) &rst ixpk= 1835, nxpk= 10, iat= 225, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ALA MB 37 ILE HN 5.50 (# 1837:10 Unique 5.30, 6.56 A) &rst ixpk= 1837, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 305, 306, 307, &end # # 116 ASP HB- 71 GLY HN 5.50 (# 1839:10 Unique 4.67, 5.78 A) &rst ixpk= 1839, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1736,1737, &end # # 72 GLU HG+ 71 GLY HN 5.50 (# 1840:10 Unique 4.86, 5.59 A) &rst ixpk= 1840, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1027,1028, &end # # 0 AMB 10-2:1841 71 GLY HN 5.50 (# 1841:10 Single Ambig) &rst ixpk= 1841, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 205, 206, 989, 990, 989, 990,1869,1870, &end # # 58 LEU HN 109 ILE HN 4.50 (# 1842:10 Unique 3.71, 3.84 A) &rst ixpk= 1842, nxpk= 10, iat= 821,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 VAL HN 109 ILE HN 4.50 (# 1843:10 Unique 4.00, 4.10 A) &rst ixpk= 1843, nxpk= 10, iat=1601,1617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 143 GLU HG- 144 GLY HN 5.50 (# 1844:10 Unique 2.79, 4.64 A) &rst ixpk= 1844, nxpk= 10, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2182,2183, &end # # 0 AMB 10-2:1845 5 LEU HN 5.50 (# 1845:10 Single Ambig) &rst ixpk= 1845, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 472, 504, &end # # 35 VAL MGY 36 VAL HN 3.50 (# 1846:10 Unique 3.09, 4.47 A) &rst ixpk= 1846, nxpk= 10, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 476, 477, 478, 480, 481, 482, &end # # 35 VAL MGY 35 VAL HN 3.50 (# 1847:10 Unique 1.99, 3.77 A) &rst ixpk= 1847, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 476, 477, 478, 480, 481, 482, &end # # 0 AMB 10-2:1848 111 LEU HN 5.50 (# 1848:10 Single Ambig) &rst ixpk= 1848, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 869, 870,1107,1108,2038,2039,2040,2042,2043,2044, &end # # 75 ILE QD1 111 LEU HN 5.50 (# 1849:10 Unique 5.12, 5.84 A) &rst ixpk= 1849, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1091,1092,1093, &end # # 59 LEU HA 111 LEU HN 5.50 (# 1850:10 Unique 5.50, 5.56 A) &rst ixpk= 1850, nxpk= 10, iat= 842,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 115 PRO HA 15 ASP HN 5.50 (# 1851:10 Unique 5.45, 5.52 A) &rst ixpk= 1851, nxpk= 10, iat=1728, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 LEU HG 111 LEU HN 4.50 (# 1853:10 Unique 4.54, 4.56 A) &rst ixpk= 1853, nxpk= 10, iat=1663,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1854 111 LEU HN 5.50 (# 1854:10 Single Ambig) &rst ixpk= 1854, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1636,1617, &end # # 65 ASP HN 66 MET HN 5.50 (# 1855:10 Unique 4.44, 4.49 A) &rst ixpk= 1855, nxpk= 10, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1856 59 LEU HN 4.50 (# 1856:10 Single Ambig) &rst ixpk= 1856, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 53, 54, 55, 57, 58, 59, 86, 87, &end # # 74 ARG HD+ 149 ALA HN 5.50 (# 1857:10 Unique 3.15, 4.05 A) &rst ixpk= 1857, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 75 ILE QD1 149 ALA HN 5.50 (# 1858:10 Unique 4.80, 5.85 A) &rst ixpk= 1858, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1091,1092,1093, &end # # 0 AMB 10-2:1859 60 ILE HN 4.50 (# 1859:10 Single Ambig) &rst ixpk= 1859, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1617,1636, &end # # 0 AMB 10-2:1861 60 ILE HN 5.50 (# 1861:10 Single Ambig) &rst ixpk= 1861, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 830, 831, 832, 834, 835, 836,1607,1608,1609,1611, 1612,1613,1607,1608,1609,1611,1612,1613,1454,1455, &end # # 59 LEU HB+ 60 ILE HN 5.50 (# 1862:10 Unique 3.63, 4.22 A) &rst ixpk= 1862, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 844, 845, &end # # 0 AMB 10-2:1863 60 ILE HN 5.50 (# 1863:10 Single Ambig) &rst ixpk= 1863, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 86, 87,1091,1092,1093, &end # # 5 LEU MDY 60 ILE HN 5.50 (# 1864:10 Unique 4.40, 7.02 A) &rst ixpk= 1864, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDX 60 ILE HN 5.50 (# 1865:10 Unique 1.94, 4.29 A) &rst ixpk= 1865, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 10-2:1866 112 GLY HN 5.50 (# 1866:10 Single Ambig) &rst ixpk= 1866, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1692,1693,1061,1062,1176,1177, &end # # 20 PRO HG+ 11 SER HN 4.50 (# 1868:10 Unique 2.47, 3.20 A) &rst ixpk= 1868, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 253, 254, &end # # 0 AMB 10-2:1869 11 SER HN 4.50 (# 1869:10 Single Ambig) &rst ixpk= 1869, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 167, 168, 139, 140, &end # # 12 MET HG+ 11 SER HN 5.50 (# 1870:10 Unique 3.82, 4.72 A) &rst ixpk= 1870, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 167, 168, &end # # 10 ASN HB+ 11 SER HN 5.50 (# 1871:10 Unique 4.39, 4.45 A) &rst ixpk= 1871, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 139, 140, &end # # 20 PRO HD+ 11 SER HN 5.50 (# 1872:10 Unique 4.55, 4.98 A) &rst ixpk= 1872, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 0 AMB 10-2:1873 11 SER HN 4.50 (# 1873:10 Single Ambig) &rst ixpk= 1873, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 227, 228, 227, 228, &end # # 0 AMB 10-2:1874 11 SER HN 5.50 (# 1874:10 Single Ambig) &rst ixpk= 1874, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 549, 130, 131, &end # # 0 AMB 10-2:1875 11 SER HN 5.50 (# 1875:10 Single Ambig) &rst ixpk= 1875, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 162, 114, &end # # 13 MET HN 11 SER HN 5.50 (# 1876:10 Unique 4.55, 4.70 A) &rst ixpk= 1876, nxpk= 10, iat= 177, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 ASN HN 11 SER HN 5.50 (# 1877:10 Unique 3.72, 4.08 A) &rst ixpk= 1877, nxpk= 10, iat= 135, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1878 56 THR HN 5.50 (# 1878:10 Single Ambig) &rst ixpk= 1878, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 801, 802, 749, 750, 825, 826, &end # # 4 VAL MGX 56 THR HN 5.50 (# 1879:10 Unique 3.95, 6.62 A) &rst ixpk= 1879, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 53, 54, 55, 57, 58, 59, &end # # 80 ASP HN 77 ASP HN 5.50 (# 1880:10 Unique 3.51, 3.79 A) &rst ixpk= 1880, nxpk= 10, iat=1154,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 150 GLN HE2- 77 ASP HN 5.50 (# 1881:10 Unique 2.60, 3.33 A) &rst ixpk= 1881, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2267,2268, &end # # 150 GLN HE2+ 77 ASP HN 5.50 (# 1882:10 Unique 2.60, 3.33 A) &rst ixpk= 1882, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2267,2268, &end # # 78 PRO HD- 77 ASP HN 4.50 (# 1883:10 Unique 4.65, 5.01 A) &rst ixpk= 1883, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1129,1130, &end # # 78 PRO HD+ 77 ASP HN 5.50 (# 1884:10 Unique 4.65, 5.01 A) &rst ixpk= 1884, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1129,1130, &end # # 0 AMB 10-2:1885 77 ASP HN 5.50 (# 1885:10 Single Ambig) &rst ixpk= 1885, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2262,2263,1217,1218, &end # # 151 LEU HB+ 77 ASP HN 5.50 (# 1886:10 Unique 4.55, 5.48 A) &rst ixpk= 1886, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2276,2277, &end # # 0 AMB 10-2:1887 77 ASP HN 4.50 (# 1887:10 Single Ambig) &rst ixpk= 1887, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1101,1107,1108, &end # # 151 LEU HB- 77 ASP HN 5.50 (# 1888:10 Unique 4.55, 5.48 A) &rst ixpk= 1888, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2276,2277, &end # # 0 AMB 10-2:1889 77 ASP HN 5.50 (# 1889:10 Single Ambig) &rst ixpk= 1889, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1084,1085,1086,2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:1890 77 ASP HN 5.50 (# 1890:10 Single Ambig) &rst ixpk= 1890, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1110,1111,1112,1457,1458,1459, &end # # 31 LYS HN 32 GLY HN 4.50 (# 1891:10 Unique 4.04, 4.43 A) &rst ixpk= 1891, nxpk= 10, iat= 403, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HN 76 ILE HN 4.50 (# 1892:10 Unique 3.20, 3.41 A) &rst ixpk= 1892, nxpk= 10, iat=1636,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 GLY HN 76 ILE HN 4.50 (# 1893:10 Unique 3.63, 3.68 A) &rst ixpk= 1893, nxpk= 10, iat=1675,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE HN 76 ILE HN 5.50 (# 1894:10 Unique 4.49, 4.51 A) &rst ixpk= 1894, nxpk= 10, iat=1078,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 109 ILE HA 76 ILE HN 5.50 (# 1896:10 Unique 5.04, 5.27 A) &rst ixpk= 1896, nxpk= 10, iat=1619,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1897 76 ILE HN 5.50 (# 1897:10 Single Ambig) &rst ixpk= 1897, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1663,2276,2277, &end # # 0 AMB 10-2:1898 4 VAL HN 5.50 (# 1898:10 Single Ambig) &rst ixpk= 1898, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1566,1567,1568, 515, 516, 517, &end # # 58 LEU HB- 4 VAL HN 5.50 (# 1899:10 Unique 3.91, 4.89 A) &rst ixpk= 1899, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 825, 826, &end # # 3 ASP HB+ 4 VAL HN 4.50 (# 1900:10 Unique 2.96, 3.77 A) &rst ixpk= 1900, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 39, 40, &end # # 35 VAL HB 4 VAL HN 5.50 (# 1901:10 Unique 4.78, 5.29 A) &rst ixpk= 1901, nxpk= 10, iat= 474, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HA 4 VAL HN 5.50 (# 1902:10 Unique 3.78, 4.67 A) &rst ixpk= 1902, nxpk= 10, iat= 448, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 PRO HA 4 VAL HN 5.50 (# 1903:10 Unique 5.16, 5.44 A) &rst ixpk= 1903, nxpk= 10, iat= 779, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 VAL HA 4 VAL HN 3.50 (# 1904:10 Unique 2.96, 2.98 A) &rst ixpk= 1904, nxpk= 10, iat= 49, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:1905 4 VAL HN 5.50 (# 1905:10 Single Ambig) &rst ixpk= 1905, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 804, 805, 804, 805, &end # # 0 AMB 10-2:1906 4 VAL HN 5.50 (# 1906:10 Single Ambig) &rst ixpk= 1906, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 773, 774, 67, 68, &end # # 35 VAL HN 3 ASP HN 5.50 (# 1907:10 Unique 3.47, 3.90 A) &rst ixpk= 1907, nxpk= 10, iat= 470, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR HN 63 ALA HN 5.50 (# 1908:10 Unique 4.55, 4.58 A) &rst ixpk= 1908, nxpk= 10, iat= 916, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ASP HN 63 ALA HN 5.50 (# 1909:10 Unique 4.24, 4.27 A) &rst ixpk= 1909, nxpk= 10, iat= 894, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1910 63 ALA HN 5.50 (# 1910:10 Single Ambig) &rst ixpk= 1910, nxpk= 10, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 884, 885, 886, 888, 889, 890,1692,1693, &end # # 4 VAL HA 3 ASP HN 5.50 (# 1912:10 Unique 4.55, 4.92 A) &rst ixpk= 1912, nxpk= 10, iat= 49, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 MET HB+ 121 TYR HN 5.50 (# 1913:10 Unique 2.57, 3.93 A) &rst ixpk= 1913, nxpk= 10, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 164, 165, &end # # 12 MET HA 121 TYR HN 5.50 (# 1914:10 Unique 4.10, 4.42 A) &rst ixpk= 1914, nxpk= 10, iat= 162,1806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HG 39 GLY HN 5.50 (# 1915:10 Unique 3.30, 3.77 A) &rst ixpk= 1915, nxpk= 10, iat= 89, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ALA MB 39 GLY HN 5.50 (# 1916:10 Unique 5.40, 6.34 A) &rst ixpk= 1916, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 305, 306, 307, &end # # 8 VAL MGX 39 GLY HN 5.50 (# 1917:10 Unique 3.18, 5.27 A) &rst ixpk= 1917, nxpk= 10, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 140 GLU HN 141 GLY HN 5.50 (# 1918:10 Unique 2.73, 2.88 A) &rst ixpk= 1918, nxpk= 10, iat=2129,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 LEU HB- 114 GLN HN 5.50 (# 1920:10 Unique 5.06, 5.93 A) &rst ixpk= 1920, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 970, 971, &end # # 72 GLU HA 114 GLN HN 5.50 (# 1921:10 Unique 4.57, 4.64 A) &rst ixpk= 1921, nxpk= 10, iat=1022,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1922 151 LEU HN 5.50 (# 1922:10 Single Ambig) &rst ixpk= 1922, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2255,2317, &end # # 152 ALA HN 151 LEU HN 4.50 (# 1923:10 Unique 4.51, 4.54 A) &rst ixpk= 1923, nxpk= 10, iat=2291,2272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE HA 74 ARG HN 4.50 (# 1924:10 Unique 3.37, 3.50 A) &rst ixpk= 1924, nxpk= 10, iat=1684,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 112 GLY HA+ 74 ARG HN 5.50 (# 1925:10 Unique 4.09, 4.51 A) &rst ixpk= 1925, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1677,1678, &end # # 74 ARG HD- 0 AMB 10-1:1926 4.50 (# 1926:10 Single Ambig) &rst ixpk= 1926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1064,1065, igr2=2272,1054, &end # # 74 ARG HD+ 151 LEU HN 4.50 (# 1927:10 Unique 3.24, 4.20 A) &rst ixpk= 1927, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1064,1065, &end # # 151 LEU HB- 151 LEU HN 2.80 (# 1928:10 Unique 2.26, 2.41 A) &rst ixpk= 1928, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2276,2277, &end # # 0 AMB 10-2:1929 0 AMB 10-1:1929 4.50 (# 1929:10 Double Ambig) &rst ixpk= 1929, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1091,1092,1093,2038,2039,2040,2042,2043,2044, igr2=1054,2272, &end # # 151 LEU MDX 151 LEU HN 4.50 (# 1930:10 Unique 4.52, 5.06 A) &rst ixpk= 1930, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:1931 0 AMB 10-1:1931 4.50 (# 1931:10 Double Ambig) &rst ixpk= 1931, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1692,1693,1110,1111,1112, igr2=1054,2272, &end # # 112 GLY HA- 74 ARG HN 5.50 (# 1932:10 Unique 4.09, 4.51 A) &rst ixpk= 1932, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1677,1678, &end # # 0 AMB 10-2:1933 58 LEU HN 3.50 (# 1933:10 Single Ambig) &rst ixpk= 1933, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1590,1591,1593,1594, &end # # 57 ARG HB- 58 LEU HN 3.50 (# 1934:10 Unique 2.24, 3.33 A) &rst ixpk= 1934, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 801, 802, &end # # 57 ARG HD+ 58 LEU HN 5.50 (# 1935:10 Unique 4.17, 4.88 A) &rst ixpk= 1935, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 807, 808, &end # # 108 VAL HA 58 LEU HN 3.50 (# 1936:10 Unique 2.78, 2.98 A) &rst ixpk= 1936, nxpk= 10, iat=1603, 821, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 107 GLU HN 58 LEU HN 5.50 (# 1937:10 Unique 3.64, 3.72 A) &rst ixpk= 1937, nxpk= 10, iat=1586, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ARG HN 58 LEU HN 5.50 (# 1938:10 Unique 4.21, 4.26 A) &rst ixpk= 1938, nxpk= 10, iat= 797, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 108 VAL HN 58 LEU HN 5.50 (# 1939:10 Unique 4.61, 4.80 A) &rst ixpk= 1939, nxpk= 10, iat=1601, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 LEU HN 58 LEU HN 4.50 (# 1940:10 Unique 4.28, 4.34 A) &rst ixpk= 1940, nxpk= 10, iat= 840, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 ILE HN 58 LEU HN 4.50 (# 1941:10 Unique 3.71, 3.84 A) &rst ixpk= 1941, nxpk= 10, iat=1617, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 ILE HN 38 ASP HN 5.50 (# 1942:10 Unique 4.29, 4.33 A) &rst ixpk= 1942, nxpk= 10, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HA 38 ASP HN 5.50 (# 1943:10 Unique 4.78, 4.87 A) &rst ixpk= 1943, nxpk= 10, iat= 84, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HB 38 ASP HN 4.50 (# 1944:10 Unique 4.04, 4.09 A) &rst ixpk= 1944, nxpk= 10, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 138 ARG HA 141 GLY HN 5.50 (# 1945:10 Unique 3.72, 4.01 A) &rst ixpk= 1945, nxpk= 10, iat=2088,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 142 TRP HB- 141 GLY HN 5.50 (# 1946:10 Unique 3.50, 4.14 A) &rst ixpk= 1946, nxpk= 10, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2155,2156, &end # # 0 AMB 10-2:1947 38 ASP HN 4.50 (# 1947:10 Single Ambig) &rst ixpk= 1947, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 91, 92, 93, 95, 96, 97, 492, 493, 494, 496, 497, 498, &end # # 37 ILE HG1- 38 ASP HN 4.50 (# 1948:10 Unique 4.21, 4.74 A) &rst ixpk= 1948, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 512, 513, &end # # 0 AMB 10-2:1949 38 ASP HN 4.50 (# 1949:10 Single Ambig) &rst ixpk= 1949, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 512, 513, 89, &end # # 23 ALA MB 38 ASP HN 5.50 (# 1950:10 Unique 5.54, 6.22 A) &rst ixpk= 1950, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 305, 306, 307, &end # # 39 GLY HN 38 ASP HN 4.50 (# 1951:10 Unique 3.75, 3.98 A) &rst ixpk= 1951, nxpk= 10, iat= 533, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:1952 7 CYS HN 4.50 (# 1952:10 Single Ambig) &rst ixpk= 1952, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 86, 87, 118, 119, 120, 122, 123, 124, &end # # 6 LEU HG 7 CYS HN 4.50 (# 1953:10 Unique 3.41, 3.68 A) &rst ixpk= 1953, nxpk= 10, iat= 89, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU HG 7 CYS HN 5.50 (# 1954:10 Unique 3.27, 3.70 A) &rst ixpk= 1954, nxpk= 10, iat= 70, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1955 7 CYS HN 4.50 (# 1955:10 Single Ambig) &rst ixpk= 1955, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 86, 87, 116, 575, 576, 575, 576, &end # # 23 ALA MB 7 CYS HN 5.50 (# 1956:10 Unique 3.82, 5.31 A) &rst ixpk= 1956, nxpk= 10, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 305, 306, 307, &end # # 8 VAL HN 7 CYS HN 5.50 (# 1957:10 Unique 4.58, 4.61 A) &rst ixpk= 1957, nxpk= 10, iat= 112, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 GLY HN 7 CYS HN 4.50 (# 1958:10 Unique 3.05, 3.51 A) &rst ixpk= 1958, nxpk= 10, iat= 533, 101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 ILE HN 7 CYS HN 5.50 (# 1959:10 Unique 3.46, 3.60 A) &rst ixpk= 1959, nxpk= 10, iat= 502, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HN 7 CYS HN 5.50 (# 1960:10 Unique 3.94, 4.11 A) &rst ixpk= 1960, nxpk= 10, iat= 82, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1961 65 ASP HN 4.50 (# 1961:10 Single Ambig) &rst ixpk= 1961, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1722,1723,1214,1215, 953, 954, 955,1725,1726, &end # # 115 PRO HD+ 65 ASP HN 5.50 (# 1962:10 Unique 3.98, 4.17 A) &rst ixpk= 1962, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1719,1720, &end # # 64 THR HN 65 ASP HN 5.50 (# 1963:10 Unique 4.24, 4.29 A) &rst ixpk= 1963, nxpk= 10, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HA 65 ASP HN 5.50 (# 1964:10 Unique 5.20, 5.28 A) &rst ixpk= 1964, nxpk= 10, iat=1703, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1965 130 ASP HN 5.50 (# 1965:10 Single Ambig) &rst ixpk= 1965, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1979,2005, &end # # 129 LYS HD- 130 ASP HN 5.50 (# 1966:10 Unique 4.61, 5.22 A) &rst ixpk= 1966, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1953,1954, &end # # 0 AMB 10-2:1967 130 ASP HN 5.50 (# 1967:10 Single Ambig) &rst ixpk= 1967, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1930,1931,1932,1993,1994,1995,1997,1998,1999, &end # # 0 AMB 10-2:1968 130 ASP HN 5.50 (# 1968:10 Single Ambig) &rst ixpk= 1968, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 272, 273, 274, 276, 277, 278,1937,1938,1939, &end # # 81 ILE HB 80 ASP HN 4.50 (# 1969:10 Unique 3.72, 3.97 A) &rst ixpk= 1969, nxpk= 10, iat=1170,1154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 148 PHE HA 75 ILE HN 5.50 (# 1970:10 Unique 5.41, 5.49 A) &rst ixpk= 1970, nxpk= 10, iat=2227,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 151 LEU HA 75 ILE HN 5.50 (# 1971:10 Unique 5.16, 5.33 A) &rst ixpk= 1971, nxpk= 10, iat=2274,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ILE QG2 75 ILE HN 5.50 (# 1972:10 Unique 4.60, 5.92 A) &rst ixpk= 1972, nxpk= 10, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 76 ILE QG2 79 ASP HN 5.50 (# 1973:10 Unique 5.58, 6.74 A) &rst ixpk= 1973, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1103,1104,1105, &end # # 0 AMB 10-2:1974 79 ASP HN 5.50 (# 1974:10 Single Ambig) &rst ixpk= 1974, nxpk= 10, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1176,1177,1450,1451,1452, &end # # 81 ILE HN 79 ASP HN 5.50 (# 1975:10 Unique 3.92, 3.96 A) &rst ixpk= 1975, nxpk= 10, iat=1166,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 ASP HN 79 ASP HN 5.50 (# 1976:10 Unique 4.72, 4.88 A) &rst ixpk= 1976, nxpk= 10, iat=1116,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1977 136 TYR HN 5.50 (# 1977:10 Single Ambig) &rst ixpk= 1977, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 286, 287, 336, 337, &end # # 0 AMB 10-2:1978 136 TYR HN 5.50 (# 1978:10 Single Ambig) &rst ixpk= 1978, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2024,2025,2026, 270, &end # # 0 AMB 10-2:1979 136 TYR HN 5.50 (# 1979:10 Single Ambig) &rst ixpk= 1979, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 330, 331, 289, &end # # 139 LEU HB+ 31 LYS HN 5.50 (# 1980:10 Unique 3.63, 4.80 A) &rst ixpk= 1980, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2114,2115, &end # # 31 LYS HD+ 31 LYS HN 4.50 (# 1981:10 Unique 3.21, 4.10 A) &rst ixpk= 1981, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 413, 414, &end # # 0 AMB 10-2:1982 108 VAL HN 4.50 (# 1982:10 Single Ambig) &rst ixpk= 1982, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1617,1636, &end # # 58 LEU HN 108 VAL HN 5.50 (# 1983:10 Unique 4.61, 4.80 A) &rst ixpk= 1983, nxpk= 10, iat= 821,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 107 GLU HN 108 VAL HN 4.50 (# 1984:10 Unique 3.89, 4.35 A) &rst ixpk= 1984, nxpk= 10, iat=1586,1601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ARG HA 108 VAL HN 5.50 (# 1985:10 Unique 4.86, 5.31 A) &rst ixpk= 1985, nxpk= 10, iat= 799,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:1986 108 VAL HN 4.50 (# 1986:10 Single Ambig) &rst ixpk= 1986, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1627,1628, 804, 805, 804, 805,1564, &end # # 0 AMB 10-2:1987 108 VAL HN 5.50 (# 1987:10 Single Ambig) &rst ixpk= 1987, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1521,1522,1521,1522, &end # # 109 ILE QD1 108 VAL HN 5.50 (# 1988:10 Unique 3.68, 5.35 A) &rst ixpk= 1988, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1630,1631,1632, &end # # 0 AMB 10-2:1989 108 VAL HN 4.50 (# 1989:10 Single Ambig) &rst ixpk= 1989, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1566,1567,1568, 872, 873, 874, &end # # 0 AMB 10-2:1990 69 ASN HN 4.50 (# 1990:10 Single Ambig) &rst ixpk= 1990, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1000,1001, 961, 962, &end # # 66 MET HB- 69 ASN HN 5.50 (# 1992:10 Unique 4.73, 5.42 A) &rst ixpk= 1992, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 946, 947, &end # # 0 AMB 10-2:1993 40 GLY HN 5.50 (# 1993:10 Single Ambig) &rst ixpk= 1993, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 128, 558, &end # # 0 AMB 10-2:1994 40 GLY HN 5.50 (# 1994:10 Single Ambig) &rst ixpk= 1994, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510, &end # # 146 GLY HA+ 145 ASN HN 5.50 (# 1995:10 Unique 3.99, 4.74 A) &rst ixpk= 1995, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2213,2214, &end # # 145 ASN HD2- 145 ASN HN 5.50 (# 1996:10 Unique 4.69, 5.27 A) &rst ixpk= 1996, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2206,2207, &end # # 144 GLY HN 145 ASN HN 4.50 (# 1997:10 Unique 2.83, 3.85 A) &rst ixpk= 1997, nxpk= 10, iat=2190,2197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 ILE QG2 150 GLN HN 5.50 (# 2000:10 Unique 5.68, 6.38 A) &rst ixpk= 2000, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1084,1085,1086, &end # # 75 ILE HB 150 GLN HN 4.50 (# 2001:10 Unique 3.96, 4.18 A) &rst ixpk= 2001, nxpk= 10, iat=1082,2255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 ARG HD+ 150 GLN HN 5.50 (# 2002:10 Unique 4.05, 4.65 A) &rst ixpk= 2002, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 0 AMB 10-2:2003 150 GLN HN 5.50 (# 2003:10 Single Ambig) &rst ixpk= 2003, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2201,2202,2229,2230, &end # # 152 ALA HA 154 GLU HN 5.50 (# 2005:10 Unique 4.21, 4.49 A) &rst ixpk= 2005, nxpk= 10, iat=2293,2317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ASN HD2- 33 ASN HN 5.50 (# 2006:10 Unique 2.48, 5.35 A) &rst ixpk= 2006, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 441, 442, &end # # 119 GLY HN 14 GLY HN 5.50 (# 2007:10 Unique 3.57, 3.89 A) &rst ixpk= 2007, nxpk= 10, iat=1779, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 16 ASP HN 14 GLY HN 5.50 (# 2008:10 Unique 4.55, 4.65 A) &rst ixpk= 2008, nxpk= 10, iat= 213, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL MGY 41 SER HN 5.50 (# 2009:10 Unique 3.10, 6.95 A) &rst ixpk= 2009, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 42 ALA MB 41 SER HN 5.50 (# 2010:10 Unique 4.37, 5.04 A) &rst ixpk= 2010, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 562, 563, 564, &end # # 0 AMB 10-2:2011 41 SER HN 5.50 (# 2011:10 Single Ambig) &rst ixpk= 2011, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 569, 570, 535, 536, &end # # 42 ALA HA 41 SER HN 5.50 (# 2012:10 Unique 4.12, 5.10 A) &rst ixpk= 2012, nxpk= 10, iat= 560, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ILE QG2 118 VAL HN 4.50 (# 2013:10 Unique 4.59, 5.28 A) &rst ixpk= 2013, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1750,1751,1752, &end # # 117 ILE HG1+ 118 VAL HN 5.50 (# 2014:10 Unique 3.94, 4.94 A) &rst ixpk= 2014, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1754,1755, &end # # 15 ASP HB- 118 VAL HN 5.50 (# 2015:10 Unique 3.60, 6.03 A) &rst ixpk= 2015, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 205, 206, &end # # 119 GLY HN 118 VAL HN 5.50 (# 2016:10 Unique 4.07, 4.21 A) &rst ixpk= 2016, nxpk= 10, iat=1779,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ILE HN 118 VAL HN 5.50 (# 2017:10 Unique 2.68, 4.22 A) &rst ixpk= 2017, nxpk= 10, iat=1744,1763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 VAL MGY 51 ARG HN 5.50 (# 2018:10 Unique 5.44, 6.19 A) &rst ixpk= 2018, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 10-2:2019 51 ARG HN 5.50 (# 2019:10 Single Ambig) &rst ixpk= 2019, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 642, 745, &end # # 49 ALA HN 51 ARG HN 5.50 (# 2020:10 Unique 3.94, 4.04 A) &rst ixpk= 2020, nxpk= 10, iat= 658, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 LEU HN 51 ARG HN 4.50 (# 2021:10 Unique 4.19, 4.25 A) &rst ixpk= 2021, nxpk= 10, iat= 726, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2022 17 GLY HN 5.50 (# 2022:10 Single Ambig) &rst ixpk= 2022, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257,1725,1726, &end # # 20 PRO HD- 17 GLY HN 5.50 (# 2023:10 Unique 5.21, 6.11 A) &rst ixpk= 2023, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 0 AMB 10-2:2025 17 GLY HN 5.50 (# 2025:10 Single Ambig) &rst ixpk= 2025, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 135, 263, &end # # 15 ASP HN 17 GLY HN 5.50 (# 2026:10 Unique 4.38, 4.56 A) &rst ixpk= 2026, nxpk= 10, iat= 201, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ARG HE 152 ALA HN 5.50 (# 2027:10 Unique 4.33, 5.20 A) &rst ixpk= 2027, nxpk= 10, iat=1067,2291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ARG HD- 152 ALA HN 5.50 (# 2028:10 Unique 4.06, 5.83 A) &rst ixpk= 2028, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 0 AMB 10-2:2029 152 ALA HN 5.50 (# 2029:10 Single Ambig) &rst ixpk= 2029, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2321,2322,2305, &end # # 0 AMB 10-2:2030 152 ALA HN 5.50 (# 2030:10 Single Ambig) &rst ixpk= 2030, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 74 ARG HG+ 152 ALA HN 5.50 (# 2031:10 Unique 4.51, 5.84 A) &rst ixpk= 2031, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1061,1062, &end # # 0 AMB 10-2:2032 67 GLY HN 5.50 (# 2032:10 Single Ambig) &rst ixpk= 2032, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 953, 954, 955,1024,1025, &end # # 0 AMB 10-2:2033 8 VAL HN 5.50 (# 2033:10 Single Ambig) &rst ixpk= 2033, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95, 96, 97, &end # # 6 LEU HG 8 VAL HN 5.50 (# 2034:10 Unique 4.53, 4.66 A) &rst ixpk= 2034, nxpk= 10, iat= 89, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ALA MB 8 VAL HN 5.50 (# 2035:10 Unique 5.57, 6.65 A) &rst ixpk= 2035, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 305, 306, 307, &end # # 7 CYS HN 8 VAL HN 5.50 (# 2037:10 Unique 4.58, 4.61 A) &rst ixpk= 2037, nxpk= 10, iat= 101, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2038 8 VAL HN 5.50 (# 2038:10 Single Ambig) &rst ixpk= 2038, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 533, 906, &end # # 19 GLY HN 8 VAL HN 5.50 (# 2039:10 Unique 3.63, 3.70 A) &rst ixpk= 2039, nxpk= 10, iat= 242, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 VAL HN 8 VAL HN 4.50 (# 2040:10 Unique 3.32, 3.46 A) &rst ixpk= 2040, nxpk= 10, iat= 878, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 MET HA 120 PHE HN 5.50 (# 2041:10 Unique 3.97, 4.22 A) &rst ixpk= 2041, nxpk= 10, iat= 179,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HN 120 PHE HN 5.50 (# 2042:10 Unique 4.46, 4.65 A) &rst ixpk= 2042, nxpk= 10, iat=1827,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 134 THR HB 132 VAL HN 5.50 (# 2043:10 Unique 4.49, 4.57 A) &rst ixpk= 2043, nxpk= 10, iat=2022,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 ASP HN 132 VAL HN 5.50 (# 2044:10 Unique 4.19, 4.29 A) &rst ixpk= 2044, nxpk= 10, iat=1965,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2045 132 VAL HN 5.50 (# 2045:10 Single Ambig) &rst ixpk= 2045, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1045,1046,1873,1874,1875, &end # # 0 AMB 10-2:2046 132 VAL HN 4.50 (# 2046:10 Single Ambig) &rst ixpk= 2046, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 236, 237, 238,1950,1951, 286, 287, 336, 337, &end # # 0 AMB 10-2:2047 132 VAL HN 5.50 (# 2047:10 Single Ambig) &rst ixpk= 2047, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 270, 267, 268,2024,2025,2026, &end # # 113 ILE QG2 132 VAL HN 4.50 (# 2048:10 Unique 4.04, 5.13 A) &rst ixpk= 2048, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1688,1689,1690, &end # # 113 ILE HG1+ 132 VAL HN 5.50 (# 2049:10 Unique 5.39, 6.10 A) &rst ixpk= 2049, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1692,1693, &end # # 97 LEU HN 95 ASN HN 5.50 (# 2051:10 Unique 4.42, 4.55 A) &rst ixpk= 2051, nxpk= 10, iat=1425,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 PHE HD 95 ASN HN 5.50 (# 2052:10 Unique 5.20, 5.97 A) &rst ixpk= 2052, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 95 ASN HD2+ 95 ASN HN 5.50 (# 2053:10 Unique 2.21, 3.22 A) &rst ixpk= 2053, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1399,1400, &end # # 0 AMB 10-2:2054 95 ASN HN 4.50 (# 2054:10 Single Ambig) &rst ixpk= 2054, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1187,1373, &end # # 94 LEU HG 95 ASN HN 5.50 (# 2055:10 Unique 4.95, 5.18 A) &rst ixpk= 2055, nxpk= 10, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2057 0 AMB 10-1:2057 5.50 (# 2057:10 Double Ambig) &rst ixpk= 2057, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2319, 944,1285, igr2=2301,1340, &end # # 85 PHE HB+ 92 MET HN 5.50 (# 2058:10 Unique 3.18, 5.16 A) &rst ixpk= 2058, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1231,1232, &end # # 91 ASN HB+ 92 MET HN 3.50 (# 2060:10 Unique 1.80, 3.09 A) &rst ixpk= 2060, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1330,1331, &end # # 91 ASN HB- 92 MET HN 4.50 (# 2061:10 Unique 1.80, 3.09 A) &rst ixpk= 2061, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1330,1331, &end # # 131 ALA MB 73 ILE HN 5.50 (# 2062:10 Unique 4.58, 5.41 A) &rst ixpk= 2062, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1981,1982,1983, &end # # 113 ILE HG1+ 73 ILE HN 5.50 (# 2063:10 Unique 4.64, 5.43 A) &rst ixpk= 2063, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1692,1693, &end # # 113 ILE QG2 64 THR HN 5.50 (# 2064:10 Unique 4.68, 5.50 A) &rst ixpk= 2064, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1688,1689,1690, &end # # 18 ALA MB 64 THR HN 5.50 (# 2065:10 Unique 5.84, 6.16 A) &rst ixpk= 2065, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 236, 237, 238, &end # # 65 ASP HN 64 THR HN 5.50 (# 2066:10 Unique 4.24, 4.29 A) &rst ixpk= 2066, nxpk= 10, iat= 930, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 ALA HN 64 THR HN 5.50 (# 2067:10 Unique 4.55, 4.58 A) &rst ixpk= 2067, nxpk= 10, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2068 0 AMB 10-1:2068 5.50 (# 2068:10 Double Ambig) &rst ixpk= 2068, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2052,2053,2052,2053, igr2=2032, 311, &end # # 0 AMB 10-2:2069 64 THR HN 4.50 (# 2069:10 Single Ambig) &rst ixpk= 2069, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1684, 932,1728, &end # # 90 HIS HB- 91 ASN HN 5.50 (# 2070:10 Unique 2.62, 3.91 A) &rst ixpk= 2070, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 90 HIS HB+ 91 ASN HN 5.50 (# 2071:10 Unique 2.62, 3.91 A) &rst ixpk= 2071, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 91 ASN HB+ 91 ASN HN 5.50 (# 2072:10 Unique 2.24, 3.11 A) &rst ixpk= 2072, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1330,1331, &end # # 91 ASN HB- 91 ASN HN 5.50 (# 2073:10 Unique 2.24, 3.11 A) &rst ixpk= 2073, nxpk= 10, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1330,1331, &end # # 55 PRO HB- 106 GLY HN 5.50 (# 2074:10 Unique 4.52, 5.42 A) &rst ixpk= 2074, nxpk= 10, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 776, 777, &end # # 0 AMB 10-2:2075 25 LYS HN 4.50 (# 2075:10 Single Ambig) &rst ixpk= 2075, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997, 1998,1999, &end # # 21 LEU MDY 25 LYS HN 4.50 (# 2076:10 Unique 4.10, 6.31 A) &rst ixpk= 2076, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 10-2:2077 25 LYS HN 4.50 (# 2077:10 Single Ambig) &rst ixpk= 2077, nxpk= 10, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 10-2:2078 0 AMB 10-1:2078 5.50 (# 2078:10 Double Ambig) &rst ixpk= 2078, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2088,1967, igr2=2069,2081,2082, &end # # 0 AMB 10-2:2079 0 AMB 10-1:2079 3.50 (# 2079:10 Double Ambig) &rst ixpk= 2079, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2010,2011, 416, 417, igr2=2081,2082,2069, &end # # 0 AMB 10-2:2080 137 GLN HN 5.50 (# 2080:10 Single Ambig) &rst ixpk= 2080, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 413, 414, 407, 408,2093,2094, &end # # 134 THR MG2 0 AMB 10-1:2081 5.50 (# 2081:10 Single Ambig) &rst ixpk= 2081, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=2024,2025,2026, igr2=2081,2082,2069, &end # # 22 LEU MDY 137 GLN HN 5.50 (# 2082:10 Unique 5.56, 7.34 A) &rst ixpk= 2082, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:2083 137 GLN HN 5.50 (# 2083:10 Single Ambig) &rst ixpk= 2083, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2119,2120,2121,2123,2124,2125, 330, 331, &end # # 0 AMB 10-2:2084 137 GLN HN 5.50 (# 2084:10 Single Ambig) &rst ixpk= 2084, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 410, 411,2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, &end # # 135 VAL MGY 137 GLN HN 5.50 (# 2085:10 Unique 5.38, 6.60 A) &rst ixpk= 2085, nxpk= 10, iat= -1,2069, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 10-2:2086 0 AMB 10-1:2086 5.50 (# 2086:10 Double Ambig) &rst ixpk= 2086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=2007,2008,2007,2008,2136,2137, igr2=2081,2082,2069, &end # # 135 VAL HA 0 AMB 10-1:2087 5.50 (# 2087:10 Single Ambig) &rst ixpk= 2087, nxpk= 10, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2069,2081,2082, &end # # 139 LEU HN 137 GLN HN 5.50 (# 2088:10 Unique 4.51, 4.61 A) &rst ixpk= 2088, nxpk= 10, iat=2110,2069, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HN 134 THR HN 5.50 (# 2090:10 Unique 3.40, 3.63 A) &rst ixpk= 2090, nxpk= 10, iat=2048,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA HN 134 THR HN 5.50 (# 2091:10 Unique 4.64, 4.75 A) &rst ixpk= 2091, nxpk= 10, iat=1977,2018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HB- 134 THR HN 5.50 (# 2093:10 Unique 4.26, 5.07 A) &rst ixpk= 2093, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2052,2053, &end # # 131 ALA MB 134 THR HN 4.50 (# 2094:10 Unique 4.95, 5.27 A) &rst ixpk= 2094, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1981,1982,1983, &end # # 0 AMB 10-2:2095 134 THR HN 5.50 (# 2095:10 Single Ambig) &rst ixpk= 2095, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1045,1046,1695,1696,1697, &end # # 88 THR HN 89 THR HN 5.50 (# 2096:10 Unique 2.66, 3.06 A) &rst ixpk= 2096, nxpk= 10, iat=1281,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 THR MG2 89 THR HN 4.50 (# 2097:10 Unique 1.82, 4.53 A) &rst ixpk= 2097, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1287,1288,1289, &end # # 125 THR HN 124 MET HN 4.50 (# 2098:10 Unique 4.56, 4.58 A) &rst ixpk= 2098, nxpk= 10, iat=1879,1862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2100 124 MET HN 4.50 (# 2100:10 Single Ambig) &rst ixpk= 2100, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1956,1957,1869,1870,1831,1832, &end # # 0 AMB 10-2:2101 124 MET HN 4.50 (# 2101:10 Single Ambig) &rst ixpk= 2101, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1956,1957,1869,1870, &end # # 14 GLY HA- 124 MET HN 5.50 (# 2102:10 Unique 3.47, 4.79 A) &rst ixpk= 2102, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 196, 197, &end # # 14 GLY HA+ 124 MET HN 4.50 (# 2103:10 Unique 3.47, 4.79 A) &rst ixpk= 2103, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 196, 197, &end # # 123 PRO HD+ 124 MET HN 5.50 (# 2104:10 Unique 5.44, 5.59 A) &rst ixpk= 2104, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1849,1850, &end # # 90 HIS HA 90 HIS HN 5.50 (# 2105:10 Unique 2.23, 2.83 A) &rst ixpk= 2105, nxpk= 10, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2106 42 ALA HN 4.50 (# 2106:10 Single Ambig) &rst ixpk= 2106, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 575, 576, 575, 576, 572, 573, 572, 573, &end # # 87 MET HG+ 87 MET HN 4.50 (# 2107:10 Unique 2.07, 4.30 A) &rst ixpk= 2107, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1271,1272, &end # # 87 MET HG- 87 MET HN 4.50 (# 2108:10 Unique 2.07, 4.30 A) &rst ixpk= 2108, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1271,1272, &end # # 118 VAL HN 117 ILE HN 4.50 (# 2109:10 Unique 2.68, 4.22 A) &rst ixpk= 2109, nxpk= 10, iat=1763,1744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2110 117 ILE HN 5.50 (# 2110:10 Single Ambig) &rst ixpk= 2110, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1765,1881, &end # # 98 ILE HA 102 LYS HN 4.50 (# 2111:10 Unique 3.69, 3.82 A) &rst ixpk= 2111, nxpk= 10, iat=1446,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2112 52 GLU HN 5.50 (# 2112:10 Single Ambig) &rst ixpk= 2112, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 697, 698, 697, 698, &end # # 0 AMB 10-2:2113 102 LYS HN 5.50 (# 2113:10 Single Ambig) &rst ixpk= 2113, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1524,1525,1524,1525, &end # # 99 ASP HB+ 102 LYS HN 5.50 (# 2114:10 Unique 5.52, 5.70 A) &rst ixpk= 2114, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1467,1468, &end # # 99 ASP HB- 102 LYS HN 5.50 (# 2115:10 Unique 5.52, 5.70 A) &rst ixpk= 2115, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1467,1468, &end # # 48 VAL MGY 52 GLU HN 5.50 (# 2116:10 Unique 4.57, 6.27 A) &rst ixpk= 2116, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 648, 649, 650, 652, 653, 654, &end # # 6 LEU HN 61 VAL HN 5.50 (# 2117:10 Unique 4.16, 4.35 A) &rst ixpk= 2117, nxpk= 10, iat= 82, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ILE HN 61 VAL HN 5.50 (# 2118:10 Unique 4.40, 4.48 A) &rst ixpk= 2118, nxpk= 10, iat= 859, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL HN 61 VAL HN 4.50 (# 2119:10 Unique 3.32, 3.46 A) &rst ixpk= 2119, nxpk= 10, iat= 112, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2120 61 VAL HN 5.50 (# 2120:10 Single Ambig) &rst ixpk= 2120, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 898, 899, 105, 106, &end # # 0 AMB 10-2:2121 61 VAL HN 4.50 (# 2121:10 Single Ambig) &rst ixpk= 2121, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 116, 86, 87, &end # # 6 LEU HG 61 VAL HN 5.50 (# 2122:10 Unique 4.12, 4.30 A) &rst ixpk= 2122, nxpk= 10, iat= 89, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2123 61 VAL HN 4.50 (# 2123:10 Single Ambig) &rst ixpk= 2123, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 863, 869, 870, &end # # 5 LEU MDY 61 VAL HN 4.50 (# 2124:10 Unique 4.03, 5.97 A) &rst ixpk= 2124, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 72, 73, 74, 76, 77, 78, &end # # 5 LEU MDX 61 VAL HN 5.50 (# 2125:10 Unique 4.03, 5.97 A) &rst ixpk= 2125, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 10-2:2126 61 VAL HN 5.50 (# 2126:10 Single Ambig) &rst ixpk= 2126, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 118, 119, 120, 122, 123, 124, 86, 87, &end # # 133 GLU HN 135 VAL HN 5.50 (# 2127:10 Unique 4.18, 4.37 A) &rst ixpk= 2127, nxpk= 10, iat=2003,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2129 0 AMB 10-1:2129 4.50 (# 2129:10 Double Ambig) &rst ixpk= 2129, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 286, 287, 286, 287, 339, 340, 339, 340,2010,2011, 339, 340, igr2=2032, 311, &end # # 25 LYS HB+ 24 GLU HN 4.50 (# 2130:10 Unique 4.87, 5.63 A) &rst ixpk= 2130, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 330, 331, &end # # 0 AMB 10-2:2131 135 VAL HN 4.50 (# 2131:10 Single Ambig) &rst ixpk= 2131, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72, igr1=1045,1046,1695,1696,1697,1665,1666,1667,1669,1670, 1671, 884, 885, 886, 888, 889, 890, &end # # 0 AMB 10-2:2132 0 AMB 10-1:2132 5.50 (# 2132:10 Double Ambig) &rst ixpk= 2132, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2052,2053, 525, 526, igr2=2032, 311, &end # # 0 AMB 10-2:2133 46 ASP HN 5.50 (# 2133:10 Single Ambig) &rst ixpk= 2133, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 625, 644, &end # # 44 GLU HA 46 ASP HN 4.50 (# 2134:10 Unique 3.45, 3.62 A) &rst ixpk= 2134, nxpk= 10, iat= 584, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 ASN HB+ 46 ASP HN 3.50 (# 2135:10 Unique 3.20, 4.00 A) &rst ixpk= 2135, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 601, 602, &end # # 44 GLU HN 46 ASP HN 5.50 (# 2136:10 Unique 3.94, 4.06 A) &rst ixpk= 2136, nxpk= 10, iat= 582, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ASN HD2+ 46 ASP HN 5.50 (# 2137:10 Unique 2.95, 3.69 A) &rst ixpk= 2137, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 606, 607, &end # # 44 GLU HG- 46 ASP HN 5.50 (# 2138:10 Unique 4.68, 5.77 A) &rst ixpk= 2138, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 589, 590, &end # # 47 ILE HG1- 46 ASP HN 4.50 (# 2139:10 Unique 3.73, 4.75 A) &rst ixpk= 2139, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 633, 634, &end # # 49 ALA MB 46 ASP HN 5.50 (# 2140:10 Unique 5.54, 6.48 A) &rst ixpk= 2140, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 662, 663, 664, &end # # 42 ALA MB 46 ASP HN 5.50 (# 2141:10 Unique 5.37, 6.45 A) &rst ixpk= 2141, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 562, 563, 564, &end # # 0 AMB 10-2:2142 46 ASP HN 4.50 (# 2142:10 Single Ambig) &rst ixpk= 2142, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97, igr1=1434,1435,1436,1438,1439,1440, 91, 92, 93, 95, 96, 97, 508, 509, 510,1501,1502,1503,1505,1506, 1507, &end # # 0 AMB 10-2:2143 46 ASP HN 4.50 (# 2143:10 Single Ambig) &rst ixpk= 2143, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1=1434,1435,1436,1438,1439,1440, 681, 682, 683, 678, 679, &end # # 0 AMB 10-2:2144 46 ASP HN 4.50 (# 2144:10 Single Ambig) &rst ixpk= 2144, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 636, 637, 638, 629, 630, 631, &end # # 47 ILE HG1+ 46 ASP HN 5.50 (# 2145:10 Unique 3.73, 4.75 A) &rst ixpk= 2145, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 633, 634, &end # # 130 ASP HN 126 GLN HE2- 5.50 (# 2146:10 Unique 2.72, 3.54 A) &rst ixpk= 2146, nxpk= 10, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1905,1906, &end # # 130 ASP HA 126 GLN HE2- 5.50 (# 2147:10 Unique 3.89, 4.21 A) &rst ixpk= 2147, nxpk= 10, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1905,1906, &end # # 0 AMB 10-2:2148 126 GLN HE2- 5.50 (# 2148:10 Single Ambig) &rst ixpk= 2148, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1911,1912,1945, igr2=1905,1906, &end # # 37 ILE HG1+ 50 ILE HN 5.50 (# 2149:10 Unique 5.98, 6.28 A) &rst ixpk= 2149, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 0 AMB 10-2:2150 50 ILE HN 5.50 (# 2150:10 Single Ambig) &rst ixpk= 2150, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 648, 649, 650, 652, 653, 654, 512, 513, &end # # 0 AMB 10-2:2151 82 ALA HN 5.50 (# 2151:10 Single Ambig) &rst ixpk= 2151, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1144,1367, &end # # 0 AMB 10-2:2152 82 ALA HN 5.50 (# 2152:10 Single Ambig) &rst ixpk= 2152, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1138,1392,1197, &end # # 0 AMB 10-2:2153 82 ALA HN 5.50 (# 2153:10 Single Ambig) &rst ixpk= 2153, nxpk= 10, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=1214,1215,1214,1215,1132,1133,1448, &end # # 8 VAL MGX 62 ASP HN 5.50 (# 2154:10 Unique 6.05, 6.95 A) &rst ixpk= 2154, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 10-2:2155 62 ASP HN 4.50 (# 2155:10 Single Ambig) &rst ixpk= 2155, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042, 2043,2044,1993,1994,1995,1997,1998,1999,1107,1108, &end # # 0 AMB 10-2:2156 62 ASP HN 5.50 (# 2156:10 Single Ambig) &rst ixpk= 2156, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 118, 119, 120, 122, 123, 124, 922, 923, 924, &end # # 0 AMB 10-2:2157 62 ASP HN 4.50 (# 2157:10 Single Ambig) &rst ixpk= 2157, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1660,1661,1993,1994,1995,1997,1998,1999, &end # # 61 VAL HB 62 ASP HN 4.50 (# 2159:10 Unique 4.07, 4.14 A) &rst ixpk= 2159, nxpk= 10, iat= 882, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 111 LEU HB+ 62 ASP HN 5.50 (# 2160:10 Unique 4.63, 5.40 A) &rst ixpk= 2160, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1660,1661, &end # # 8 VAL HB 62 ASP HN 5.50 (# 2161:10 Unique 4.67, 4.89 A) &rst ixpk= 2161, nxpk= 10, iat= 116, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 112 GLY HA- 62 ASP HN 4.50 (# 2162:10 Unique 3.12, 4.02 A) &rst ixpk= 2162, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1677,1678, &end # # 113 ILE HN 62 ASP HN 5.50 (# 2165:10 Unique 4.06, 4.13 A) &rst ixpk= 2165, nxpk= 10, iat=1682, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL HN 62 ASP HN 5.50 (# 2167:10 Unique 5.12, 5.22 A) &rst ixpk= 2167, nxpk= 10, iat= 112, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 ALA HN 62 ASP HN 5.50 (# 2168:10 Unique 4.24, 4.27 A) &rst ixpk= 2168, nxpk= 10, iat= 906, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 LEU HN 62 ASP HN 5.50 (# 2169:10 Unique 4.08, 4.13 A) &rst ixpk= 2169, nxpk= 10, iat=1656, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 MET HB- 12 MET HN 3.50 (# 2174:10 Unique 3.60, 4.16 A) &rst ixpk= 2174, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 181, 182, &end # # 154 GLU HN 152 ALA HN 4.50 (# 2175:10 Unique 2.53, 3.26 A) &rst ixpk= 2175, nxpk= 10, iat=2317,2291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2177 152 ALA HN 5.50 (# 2177:10 Single Ambig) &rst ixpk= 2177, nxpk= 10, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 946, 947,1058,1059, &end # # 77 ASP HA 80 ASP HN 5.50 (# 2178:10 Unique 4.72, 4.86 A) &rst ixpk= 2178, nxpk= 10, iat=1118,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE QD1 80 ASP HN 5.50 (# 2179:10 Unique 4.94, 5.69 A) &rst ixpk= 2179, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1179,1180,1181, &end # # 138 ARG HA 140 GLU HN 4.50 (# 2180:10 Unique 3.88, 4.21 A) &rst ixpk= 2180, nxpk= 10, iat=2088,2129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 TRP HE1 140 GLU HN 5.50 (# 2181:10 Unique 4.50, 4.74 A) &rst ixpk= 2181, nxpk= 10, iat= 456,2129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 ILE HN 102 LYS HN 5.50 (# 2183:10 Unique 4.70, 4.88 A) &rst ixpk= 2183, nxpk= 10, iat=1560,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2184 135 VAL HN 5.50 (# 2184:10 Single Ambig) &rst ixpk= 2184, nxpk= 10, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1981,1982,1983,2093,2094, &end # # 132 VAL HN 135 VAL HN 5.50 (# 2187:10 Unique 4.65, 4.71 A) &rst ixpk= 2187, nxpk= 10, iat=1987,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ARG HG+ 50 ILE HN 5.50 (# 2188:10 Unique 4.97, 5.74 A) &rst ixpk= 2188, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 694, 695, &end # # 129 LYS HD+ 126 GLN HE2- 4.50 (# 2189:10 Unique 2.95, 4.71 A) &rst ixpk= 2189, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1953,1954, igr2=1905,1906, &end # # 0 AMB 10-2:2190 50 ILE HN 5.50 (# 2190:10 Single Ambig) &rst ixpk= 2190, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 506,1496,1497, 773, 774, &end # # 46 ASP HB+ 50 ILE HN 5.50 (# 2191:10 Unique 3.68, 4.65 A) &rst ixpk= 2191, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 46 ASP HA 50 ILE HN 5.50 (# 2192:10 Unique 4.11, 4.22 A) &rst ixpk= 2192, nxpk= 10, iat= 613, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 ALA MB 62 ASP HN 5.50 (# 2193:10 Unique 6.08, 6.45 A) &rst ixpk= 2193, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 910, 911, 912, &end # # 143 GLU HA 146 GLY HN 5.50 (# 2195:10 Unique 3.74, 4.58 A) &rst ixpk= 2195, nxpk= 10, iat=2177,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ASN HD2+ 45 ASN HN 4.50 (# 2196:10 Unique 2.18, 3.45 A) &rst ixpk= 2196, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 606, 607, &end # # 47 ILE HN 45 ASN HN 5.50 (# 2197:10 Unique 4.27, 4.35 A) &rst ixpk= 2197, nxpk= 10, iat= 623, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ASN HD2- 45 ASN HN 5.50 (# 2198:10 Unique 2.18, 3.45 A) &rst ixpk= 2198, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 606, 607, &end # # 42 ALA HA 45 ASN HN 5.50 (# 2199:10 Unique 4.13, 4.44 A) &rst ixpk= 2199, nxpk= 10, iat= 560, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 GLU HA 45 ASN HN 4.50 (# 2200:10 Unique 3.52, 3.56 A) &rst ixpk= 2200, nxpk= 10, iat= 584, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 ASP HB- 45 ASN HN 5.50 (# 2201:10 Unique 4.40, 5.33 A) &rst ixpk= 2201, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 44 GLU HG+ 45 ASN HN 4.50 (# 2202:10 Unique 2.26, 3.63 A) &rst ixpk= 2202, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 589, 590, &end # # 44 GLU HB- 45 ASN HN 4.50 (# 2203:10 Unique 2.80, 3.98 A) &rst ixpk= 2203, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 586, 587, &end # # 0 AMB 10-2:2204 45 ASN HN 4.50 (# 2204:10 Single Ambig) &rst ixpk= 2204, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 572, 573, 572, 573, 575, 576, 575, 576, 627, &end # # 94 LEU MDX 95 ASN HN 5.50 (# 2205:10 Unique 5.05, 6.18 A) &rst ixpk= 2205, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1380,1381,1382,1384,1385,1386, &end # # 47 ILE QD1 45 ASN HN 5.50 (# 2206:10 Unique 4.91, 6.01 A) &rst ixpk= 2206, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 636, 637, 638, &end # # 0 AMB 10-2:2207 45 ASN HN 5.50 (# 2207:10 Single Ambig) &rst ixpk= 2207, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1434,1435,1436,1438,1439,1440, 681, 682, 683, &end # # 25 LYS HD- 26 CYS HN 5.50 (# 2208:10 Unique 4.68, 5.27 A) &rst ixpk= 2208, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 336, 337, &end # # 0 AMB 10-2:2209 26 CYS HN 5.50 (# 2209:10 Single Ambig) &rst ixpk= 2209, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 333, 334, 410, 411, 70, &end # # 29 ALA HN 26 CYS HN 5.50 (# 2210:10 Unique 4.68, 4.75 A) &rst ixpk= 2210, nxpk= 10, iat= 379, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2211 26 CYS HN 5.50 (# 2211:10 Single Ambig) &rst ixpk= 2211, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 318, 319,2117, &end # # 27 ALA HA 26 CYS HN 5.50 (# 2212:10 Unique 5.32, 5.36 A) &rst ixpk= 2212, nxpk= 10, iat= 361, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 LYS HB+ 27 ALA HN 5.50 (# 2213:10 Unique 4.97, 5.35 A) &rst ixpk= 2213, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 330, 331, &end # # 0 AMB 10-2:2214 27 ALA HN 5.50 (# 2214:10 Single Ambig) &rst ixpk= 2214, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:2215 27 ALA HN 4.50 (# 2215:10 Single Ambig) &rst ixpk= 2215, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 10-2:2216 27 ALA HN 5.50 (# 2216:10 Single Ambig) &rst ixpk= 2216, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 490, 396, 397, &end # # 0 AMB 10-2:2217 27 ALA HN 5.50 (# 2217:10 Single Ambig) &rst ixpk= 2217, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 315, 316, 315, 316, 525, 526, &end # # 28 ALA HA 27 ALA HN 5.50 (# 2219:10 Unique 5.35, 5.37 A) &rst ixpk= 2219, nxpk= 10, iat= 371, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 30 PRO HA 27 ALA HN 5.50 (# 2221:10 Unique 5.27, 5.46 A) &rst ixpk= 2221, nxpk= 10, iat= 399, 359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 ALA HN 27 ALA HN 4.50 (# 2223:10 Unique 4.07, 4.13 A) &rst ixpk= 2223, nxpk= 10, iat= 379, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 LYS HN 27 ALA HN 4.50 (# 2224:10 Unique 3.89, 4.04 A) &rst ixpk= 2224, nxpk= 10, iat= 326, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 GLU HA 85 PHE HN 4.50 (# 2225:10 Unique 4.41, 4.49 A) &rst ixpk= 2225, nxpk= 10, iat=1197,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 ALA HA 85 PHE HN 5.50 (# 2226:10 Unique 4.38, 4.54 A) &rst ixpk= 2226, nxpk= 10, iat=1187,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE HA 85 PHE HN 5.50 (# 2227:10 Unique 3.12, 3.28 A) &rst ixpk= 2227, nxpk= 10, iat=1168,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2228 85 PHE HN 5.50 (# 2228:10 Single Ambig) &rst ixpk= 2228, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1251,1252,1271,1272,1158,1159, &end # # 81 ILE QG2 85 PHE HN 5.50 (# 2229:10 Unique 3.86, 4.72 A) &rst ixpk= 2229, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1172,1173,1174, &end # # 46 ASP HB+ 45 ASN HN 5.50 (# 2230:10 Unique 4.40, 5.33 A) &rst ixpk= 2230, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 0 AMB 10-2:2233 86 MET HN 2.80 (# 2233:10 Single Ambig) &rst ixpk= 2233, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1251,1252,1268,1269, &end # # 95 ASN HN 98 ILE HN 5.50 (# 2234:10 Unique 4.74, 5.10 A) &rst ixpk= 2234, nxpk= 10, iat=1390,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 ILE HN 103 GLU HN 4.50 (# 2235:10 Unique 3.90, 4.28 A) &rst ixpk= 2235, nxpk= 10, iat=1560,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2237 48 VAL HN 5.50 (# 2237:10 Single Ambig) &rst ixpk= 2237, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 660, 584, &end # # 46 ASP HA 48 VAL HN 5.50 (# 2238:10 Unique 3.58, 3.83 A) &rst ixpk= 2238, nxpk= 10, iat= 613, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2240 21 LEU HN 5.50 (# 2240:10 Single Ambig) &rst ixpk= 2240, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 242, 149, &end # # 0 AMB 10-2:2241 83 GLU HN 3.50 (# 2241:10 Single Ambig) &rst ixpk= 2241, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1185,1227, &end # # 81 ILE HA 83 GLU HN 5.50 (# 2242:10 Unique 3.96, 4.01 A) &rst ixpk= 2242, nxpk= 10, iat=1168,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 MET HA 83 GLU HN 5.50 (# 2243:10 Unique 4.58, 4.70 A) &rst ixpk= 2243, nxpk= 10, iat=1212,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 MET HG+ 83 GLU HN 5.50 (# 2244:10 Unique 3.59, 4.38 A) &rst ixpk= 2244, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1217,1218, &end # # 0 AMB 10-2:2245 83 GLU HN 5.50 (# 2245:10 Single Ambig) &rst ixpk= 2245, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1158,1159,1394,1395, &end # # 81 ILE HB 83 GLU HN 5.50 (# 2246:10 Unique 5.03, 5.12 A) &rst ixpk= 2246, nxpk= 10, iat=1170,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 ILE QG2 83 GLU HN 5.50 (# 2247:10 Unique 5.06, 5.90 A) &rst ixpk= 2247, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1172,1173,1174, &end # # 24 GLU HN 22 LEU HN 4.50 (# 2248:10 Unique 4.09, 4.19 A) &rst ixpk= 2248, nxpk= 10, iat= 311, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 LYS HN 22 LEU HN 5.50 (# 2249:10 Unique 4.83, 4.87 A) &rst ixpk= 2249, nxpk= 10, iat= 326, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2250 22 LEU HN 4.50 (# 2250:10 Single Ambig) &rst ixpk= 2250, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 259, 313, &end # # 0 AMB 10-2:2251 22 LEU HN 5.50 (# 2251:10 Single Ambig) &rst ixpk= 2251, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 234, 227, 228, 227, 228, &end # # 19 GLY HA- 22 LEU HN 4.50 (# 2252:10 Unique 3.26, 3.98 A) &rst ixpk= 2252, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 244, 245, &end # # 0 AMB 10-2:2253 22 LEU HN 5.50 (# 2253:10 Single Ambig) &rst ixpk= 2253, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 105, 106, 318, 319, &end # # 0 AMB 10-2:2254 22 LEU HN 5.50 (# 2254:10 Single Ambig) &rst ixpk= 2254, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1991, 318, 319, &end # # 124 MET ME 22 LEU HN 5.50 (# 2255:10 Unique 4.90, 5.99 A) &rst ixpk= 2255, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1873,1874,1875, &end # # 20 PRO HB- 22 LEU HN 5.50 (# 2256:10 Unique 5.08, 5.58 A) &rst ixpk= 2256, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 61 VAL MGX 22 LEU HN 5.50 (# 2258:10 Unique 5.24, 6.80 A) &rst ixpk= 2258, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 884, 885, 886, 888, 889, 890, &end # # 19 GLY HA+ 23 ALA HN 5.50 (# 2259:10 Unique 3.89, 4.38 A) &rst ixpk= 2259, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 244, 245, &end # # 61 VAL MGX 23 ALA HN 5.50 (# 2260:10 Unique 6.50, 7.53 A) &rst ixpk= 2260, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 10-2:2261 23 ALA HN 4.50 (# 2261:10 Single Ambig) &rst ixpk= 2261, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 291, 292, 293, 295, 296, 297,1993,1994,1995,1997, 1998,1999, 492, 493, 494, 496, 497, 498, &end # # 20 PRO HB- 23 ALA HN 5.50 (# 2262:10 Unique 5.19, 5.51 A) &rst ixpk= 2262, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 21 LEU HB+ 23 ALA HN 5.50 (# 2263:10 Unique 5.11, 5.55 A) &rst ixpk= 2263, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 267, 268, &end # # 0 AMB 10-2:2264 23 ALA HN 4.50 (# 2264:10 Single Ambig) &rst ixpk= 2264, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 315, 316, 315, 316, 525, 526, &end # # 7 CYS HB- 23 ALA HN 4.50 (# 2265:10 Unique 3.12, 3.78 A) &rst ixpk= 2265, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 105, 106, &end # # 7 CYS HB+ 23 ALA HN 5.50 (# 2267:10 Unique 3.12, 3.78 A) &rst ixpk= 2267, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 19 GLY HA- 23 ALA HN 5.50 (# 2268:10 Unique 3.89, 4.38 A) &rst ixpk= 2268, nxpk= 10, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 244, 245, &end # # 21 LEU HA 23 ALA HN 5.50 (# 2269:10 Unique 4.36, 4.52 A) &rst ixpk= 2269, nxpk= 10, iat= 265, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 CYS HA 23 ALA HN 5.50 (# 2270:10 Unique 4.91, 5.20 A) &rst ixpk= 2270, nxpk= 10, iat= 103, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 LYS HN 23 ALA HN 5.50 (# 2271:10 Unique 4.19, 4.24 A) &rst ixpk= 2271, nxpk= 10, iat= 326, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2272 10 ASN HN 5.50 (# 2272:10 Single Ambig) &rst ixpk= 2272, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 149, 242, &end # # 16 ASP HN 10 ASN HN 5.50 (# 2273:10 Unique 5.26, 5.45 A) &rst ixpk= 2273, nxpk= 10, iat= 213, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2274 10 ASN HN 5.50 (# 2274:10 Single Ambig) &rst ixpk= 2274, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 253, 254, 184, 185, &end # # 0 AMB 10-2:2275 54 ARG HN 5.50 (# 2275:10 Single Ambig) &rst ixpk= 2275, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1573,1574,1575, 678, 679, &end # # 0 AMB 10-2:2276 54 ARG HN 4.50 (# 2276:10 Single Ambig) &rst ixpk= 2276, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, 53, 54, 55, 57, 58, 59, &end # # 53 LEU HB- 54 ARG HN 4.50 (# 2277:10 Unique 2.80, 3.66 A) &rst ixpk= 2277, nxpk= 10, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 730, 731, &end # # 85 PHE HD 84 MET HN 5.50 (# 2278:10 Unique 4.62, 6.45 A) &rst ixpk= 2278, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 80 ASP HA 84 MET HN 5.50 (# 2279:10 Unique 4.04, 4.26 A) &rst ixpk= 2279, nxpk= 10, iat=1156,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2280 84 MET HN 5.50 (# 2280:10 Single Ambig) &rst ixpk= 2280, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1229,1266,2293, &end # # 81 ILE HA 84 MET HN 4.50 (# 2281:10 Unique 3.35, 3.49 A) &rst ixpk= 2281, nxpk= 10, iat=1168,1210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 85 PHE HB- 84 MET HN 5.50 (# 2282:10 Unique 4.46, 5.30 A) &rst ixpk= 2282, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1231,1232, &end # # 0 AMB 10-2:2283 84 MET HN 5.50 (# 2283:10 Single Ambig) &rst ixpk= 2283, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1158,1159,1394,1395, &end # # 83 GLU HB- 84 MET HN 3.50 (# 2284:10 Unique 2.53, 3.22 A) &rst ixpk= 2284, nxpk= 10, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1199,1200, &end # # 134 THR HN 131 ALA HN 5.50 (# 2285:10 Unique 4.64, 4.75 A) &rst ixpk= 2285, nxpk= 10, iat=2018,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 128 ILE HN 131 ALA HN 5.50 (# 2286:10 Unique 4.58, 4.67 A) &rst ixpk= 2286, nxpk= 10, iat=1924,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 MET HB- 10 ASN HD2- 5.50 (# 2287:10 Unique 5.22, 6.40 A) &rst ixpk= 2287, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 164, 165, igr2= 144, 145, &end # # 13 MET HB+ 10 ASN HD2- 3.50 (# 2288:10 Unique 2.44, 3.66 A) &rst ixpk= 2288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 181, 182, igr2= 144, 145, &end # # 41 SER HB- 10 ASN HD2- 5.50 (# 2289:10 Unique 2.98, 5.23 A) &rst ixpk= 2289, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 144, 145, &end # # 41 SER HB+ 10 ASN HD2- 5.50 (# 2290:10 Unique 2.98, 5.23 A) &rst ixpk= 2290, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 144, 145, &end # # 44 GLU HG- 45 ASN HD2+ 5.50 (# 2291:10 Unique 2.89, 6.46 A) &rst ixpk= 2291, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 589, 590, igr2= 606, 607, &end # # 0 AMB 10-2:2292 49 ALA HN 5.50 (# 2292:10 Single Ambig) &rst ixpk= 2292, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 678, 679, 681, 682, 683, &end # # 46 ASP HB- 49 ALA HN 5.50 (# 2293:10 Unique 4.11, 4.86 A) &rst ixpk= 2293, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 47 ILE HN 49 ALA HN 5.50 (# 2294:10 Unique 4.21, 4.30 A) &rst ixpk= 2294, nxpk= 10, iat= 623, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ARG HN 49 ALA HN 5.50 (# 2295:10 Unique 3.94, 4.04 A) &rst ixpk= 2295, nxpk= 10, iat= 687, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2296 133 GLU HN 5.50 (# 2296:10 Single Ambig) &rst ixpk= 2296, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1695,1696,1697,1045,1046, &end # # 0 AMB 10-2:2297 133 GLU HN 4.50 (# 2297:10 Single Ambig) &rst ixpk= 2297, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042, 2043,2044, &end # # 0 AMB 10-2:2298 133 GLU HN 5.50 (# 2298:10 Single Ambig) &rst ixpk= 2298, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 336, 337,1950,1951, 286, 287, &end # # 0 AMB 10-2:2299 133 GLU HN 5.50 (# 2299:10 Single Ambig) &rst ixpk= 2299, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 270, 267, 268,2024,2025,2026, &end # # 0 AMB 10-2:2300 133 GLU HN 5.50 (# 2300:10 Single Ambig) &rst ixpk= 2300, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1981,1982,1983,1953,1954, &end # # 0 AMB 10-2:2302 133 GLU HN 5.50 (# 2302:10 Single Ambig) &rst ixpk= 2302, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1969,1970,1969,1970,2076,2077,1956,1957, &end # # 129 LYS HA 133 GLU HN 5.50 (# 2303:10 Unique 3.97, 4.09 A) &rst ixpk= 2303, nxpk= 10, iat=1945,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2304 133 GLU HN 5.50 (# 2304:10 Single Ambig) &rst ixpk= 2304, nxpk= 10, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2020,2050, &end # # 134 THR HB 133 GLU HN 5.50 (# 2305:10 Unique 4.35, 4.48 A) &rst ixpk= 2305, nxpk= 10, iat=2022,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 135 VAL HN 133 GLU HN 4.50 (# 2306:10 Unique 4.18, 4.37 A) &rst ixpk= 2306, nxpk= 10, iat=2032,2003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 TYR HN 133 GLU HN 5.50 (# 2307:10 Unique 4.76, 4.80 A) &rst ixpk= 2307, nxpk= 10, iat=2048,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 ASP HN 133 GLU HN 5.50 (# 2308:10 Unique 4.83, 4.85 A) &rst ixpk= 2308, nxpk= 10, iat=1965,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2309 100 GLN HN 4.50 (# 2309:10 Single Ambig) &rst ixpk= 2309, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1444,1533, &end # # 0 AMB 10-2:2310 100 GLN HN 5.50 (# 2310:10 Single Ambig) &rst ixpk= 2310, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 700,1425, &end # # 100 GLN HE2- 100 GLN HN 5.50 (# 2311:10 Unique 2.01, 2.99 A) &rst ixpk= 2311, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1487,1488, &end # # 0 AMB 10-2:2312 100 GLN HN 4.50 (# 2312:10 Single Ambig) &rst ixpk= 2312, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1515,1516,1448, 627, &end # # 77 ASP HN 150 GLN HE2- 5.50 (# 2313:10 Unique 2.60, 3.33 A) &rst ixpk= 2313, nxpk= 10, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 99 ASP HB+ 101 LEU HN 5.50 (# 2314:10 Unique 4.84, 5.30 A) &rst ixpk= 2314, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1467,1468, &end # # 0 AMB 10-2:2315 101 LEU HN 5.50 (# 2315:10 Single Ambig) &rst ixpk= 2315, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1518,1519, 694, 695,1570,1571, &end # # 0 AMB 10-2:2316 129 LYS HN 5.50 (# 2316:10 Single Ambig) &rst ixpk= 2316, nxpk= 10, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918,1897,1898, &end # # 132 VAL HN 129 LYS HN 5.50 (# 2317:10 Unique 4.78, 4.83 A) &rst ixpk= 2317, nxpk= 10, iat=1987,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 PRO HD+ 69 ASN HD2- 5.50 (# 2318:10 Unique 2.80, 3.87 A) &rst ixpk= 2318, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1000,1001, igr2= 994, 995, &end # # 75 ILE HG1- 145 ASN HD2- 5.50 (# 2319:10 Unique 2.51, 3.44 A) &rst ixpk= 2319, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1088,1089, igr2=2206,2207, &end # # 68 LEU HN 114 GLN HE2+ 5.50 (# 2320:10 Unique 3.69, 4.12 A) &rst ixpk= 2320, nxpk= 10, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 67 GLY HN 114 GLN HE2+ 5.50 (# 2321:10 Unique 2.10, 3.12 A) &rst ixpk= 2321, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 26 CYS HB- 29 ALA HN 5.50 (# 2323:10 Unique 4.95, 5.29 A) &rst ixpk= 2323, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 30 PRO HB+ 29 ALA HN 5.50 (# 2324:10 Unique 4.97, 5.83 A) &rst ixpk= 2324, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 396, 397, &end # # 27 ALA HA 29 ALA HN 4.50 (# 2325:10 Unique 4.17, 4.35 A) &rst ixpk= 2325, nxpk= 10, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 PRO HA 29 ALA HN 4.50 (# 2326:10 Unique 4.08, 4.24 A) &rst ixpk= 2326, nxpk= 10, iat= 399, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 ASN HN 16 ASP HN 5.50 (# 2327:10 Unique 5.26, 5.45 A) &rst ixpk= 2327, nxpk= 10, iat= 135, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 MET HN 16 ASP HN 5.50 (# 2328:10 Unique 4.29, 4.57 A) &rst ixpk= 2328, nxpk= 10, iat= 177, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 119 GLY HN 16 ASP HN 5.50 (# 2330:10 Unique 4.31, 4.65 A) &rst ixpk= 2330, nxpk= 10, iat=1779, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2331 16 ASP HN 5.50 (# 2331:10 Single Ambig) &rst ixpk= 2331, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1728, 130, 131, &end # # 118 VAL HB 16 ASP HN 5.50 (# 2332:10 Unique 4.46, 5.31 A) &rst ixpk= 2332, nxpk= 10, iat=1767, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 ALA MB 16 ASP HN 5.50 (# 2333:10 Unique 5.76, 6.74 A) &rst ixpk= 2333, nxpk= 10, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 236, 237, 238, &end # # 101 LEU HB- 104 ASP HN 5.50 (# 2334:10 Unique 4.93, 5.44 A) &rst ixpk= 2334, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1496,1497, &end # # 102 LYS HN 104 ASP HN 5.50 (# 2335:10 Unique 3.92, 4.24 A) &rst ixpk= 2335, nxpk= 10, iat=1511,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ASN HN 33 ASN HD2- 5.50 (# 2336:10 Unique 2.48, 5.35 A) &rst ixpk= 2336, nxpk= 10, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 441, 442, &end # # 0 AMB 10-2:2337 33 ASN HD2- 5.50 (# 2337:10 Single Ambig) &rst ixpk= 2337, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 448, 427, 428, 427, 428, igr2= 441, 442, &end # # 97 LEU HA 96 TYR HN 5.50 (# 2338:10 Unique 5.27, 5.38 A) &rst ixpk= 2338, nxpk= 10, iat=1427,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 ASN HB+ 96 TYR HN 4.50 (# 2339:10 Unique 3.01, 4.17 A) &rst ixpk= 2339, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1394,1395, &end # # 88 THR MG2 91 ASN HD2- 5.50 (# 2340:10 Unique 2.35, 4.26 A) &rst ixpk= 2340, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1287,1288,1289, igr2=1335,1336, &end # # 64 THR MG2 91 ASN HD2- 5.50 (# 2341:10 Unique 4.01, 6.12 A) &rst ixpk= 2341, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 922, 923, 924, igr2=1335,1336, &end # # 14 GLY HN 122 TYR HN 4.50 (# 2342:10 Unique 2.75, 3.15 A) &rst ixpk= 2342, nxpk= 10, iat= 194,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2343 122 TYR HN 5.50 (# 2343:10 Single Ambig) &rst ixpk= 2343, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1786, 160, &end # # 117 ILE QD1 122 TYR HN 5.50 (# 2344:10 Unique 5.23, 5.71 A) &rst ixpk= 2344, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1757,1758,1759, &end # # 0 AMB 10-2:2345 97 LEU HN 4.50 (# 2345:10 Single Ambig) &rst ixpk= 2345, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1454,1455, 636, 637, 638, &end # # 0 AMB 10-2:2346 113 ILE HN 4.50 (# 2346:10 Single Ambig) &rst ixpk= 2346, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 922, 923, 924,1930,1931,1932, &end # # 0 AMB 10-2:2347 97 LEU HN 4.50 (# 2347:10 Single Ambig) &rst ixpk= 2347, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1482,1483,1361,1362,1361,1362,1364,1365,1479,1480, 1479,1480, &end # # 0 AMB 10-2:2349 97 LEU HN 5.50 (# 2349:10 Single Ambig) &rst ixpk= 2349, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468,1394,1395, &end # # 0 AMB 10-2:2350 113 ILE HN 5.50 (# 2350:10 Single Ambig) &rst ixpk= 2350, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 920,1719,1720, &end # # 95 ASN HA 97 LEU HN 5.50 (# 2351:10 Unique 3.64, 4.00 A) &rst ixpk= 2351, nxpk= 10, iat=1392,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 TYR HA 97 LEU HN 4.50 (# 2352:10 Unique 3.51, 3.58 A) &rst ixpk= 2352, nxpk= 10, iat=1406,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE HA 113 ILE HN 4.50 (# 2353:10 Unique 2.97, 2.98 A) &rst ixpk= 2353, nxpk= 10, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 GLN HA 113 ILE HN 5.50 (# 2354:10 Unique 4.79, 4.85 A) &rst ixpk= 2354, nxpk= 10, iat=1703,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2355 113 ILE HN 5.50 (# 2355:10 Single Ambig) &rst ixpk= 2355, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1037, 880, &end # # 0 AMB 10-2:2356 113 ILE HN 5.50 (# 2356:10 Single Ambig) &rst ixpk= 2356, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1701,1054, &end # # 112 GLY HN 113 ILE HN 5.50 (# 2357:10 Unique 4.56, 4.58 A) &rst ixpk= 2357, nxpk= 10, iat=1675,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 135 VAL MGY 139 LEU HN 5.50 (# 2358:10 Unique 4.53, 6.44 A) &rst ixpk= 2358, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2038,2039,2040,2042,2043,2044, &end # # 137 GLN HN 139 LEU HN 5.50 (# 2359:10 Unique 4.51, 4.61 A) &rst ixpk= 2359, nxpk= 10, iat=2069,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HN 139 LEU HN 5.50 (# 2360:10 Unique 5.00, 5.27 A) &rst ixpk= 2360, nxpk= 10, iat=2048,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HE1 139 LEU HN 5.50 (# 2361:10 Unique 5.18, 5.52 A) &rst ixpk= 2361, nxpk= 10, iat= 456,2110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 LEU HN 57 ARG HN 4.50 (# 2362:10 Unique 4.21, 4.26 A) &rst ixpk= 2362, nxpk= 10, iat= 821, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ARG HE 57 ARG HN 5.50 (# 2363:10 Unique 4.16, 4.57 A) &rst ixpk= 2363, nxpk= 10, iat= 810, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 2 THR HB 57 ARG HN 5.50 (# 2364:10 Unique 4.53, 4.59 A) &rst ixpk= 2364, nxpk= 10, iat= 25, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ARG HD+ 57 ARG HN 5.50 (# 2365:10 Unique 5.40, 5.87 A) &rst ixpk= 2365, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 807, 808, &end # # 0 AMB 10-2:2366 57 ARG HN 4.50 (# 2366:10 Single Ambig) &rst ixpk= 2366, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 804, 805, 804, 805, &end # # 2 THR MG2 57 ARG HN 5.50 (# 2367:10 Unique 4.98, 6.25 A) &rst ixpk= 2367, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 27, 28, 29, &end # # 0 AMB 10-2:2368 57 ARG HN 4.50 (# 2368:10 Single Ambig) &rst ixpk= 2368, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 53, 54, 55, 57, 58, 59,1570,1571, &end # # 4 VAL MGX 57 ARG HN 5.50 (# 2369:10 Unique 4.06, 6.35 A) &rst ixpk= 2369, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 53, 54, 55, 57, 58, 59, &end # # 105 ILE QG2 57 ARG HN 4.50 (# 2370:10 Unique 3.19, 4.12 A) &rst ixpk= 2370, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1566,1567,1568, &end # # 0 AMB 10-2:2371 57 ARG HN 5.50 (# 2371:10 Single Ambig) &rst ixpk= 2371, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 770, 771, 747, &end # # 26 CYS HB- 28 ALA HN 5.50 (# 2373:10 Unique 5.11, 5.40 A) &rst ixpk= 2373, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 26 CYS HB+ 28 ALA HN 5.50 (# 2374:10 Unique 5.11, 5.40 A) &rst ixpk= 2374, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 52 GLU HG- 53 LEU HN 5.50 (# 2375:10 Unique 2.66, 4.96 A) &rst ixpk= 2375, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 718, 719, &end # # 0 AMB 10-2:2376 0 AMB 10-1:2376 5.50 (# 2376:10 Double Ambig) &rst ixpk= 2376, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 27, 28, 29, 333, 334, igr2= 726, 369, &end # # 52 GLU HG+ 53 LEU HN 4.50 (# 2377:10 Unique 2.66, 4.96 A) &rst ixpk= 2377, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 718, 719, &end # # 0 AMB 10-2:2378 13 MET HN 5.50 (# 2378:10 Single Ambig) &rst ixpk= 2378, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 149, 171, 172, 173, &end # # 121 TYR HN 13 MET HN 5.50 (# 2379:10 Unique 4.72, 4.93 A) &rst ixpk= 2379, nxpk= 10, iat=1806, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 ASN HD2+ 13 MET HN 5.50 (# 2380:10 Unique 4.32, 4.92 A) &rst ixpk= 2380, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 144, 145, &end # # 0 AMB 10-2:2381 13 MET HN 5.50 (# 2381:10 Single Ambig) &rst ixpk= 2381, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 227, 228, 227, 228, &end # # 16 ASP HB+ 13 MET HN 3.50 (# 2382:10 Unique 3.44, 4.35 A) &rst ixpk= 2382, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 217, 218, &end # # 79 ASP HN 81 ILE HN 5.50 (# 2383:10 Unique 3.92, 3.96 A) &rst ixpk= 2383, nxpk= 10, iat=1142,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2384 0 AMB 10-1:2384 4.50 (# 2384:10 Double Ambig) &rst ixpk= 2384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 658, 606, 607,2267,2268, igr2= 623,1166, &end # # 79 ASP HA 81 ILE HN 5.50 (# 2385:10 Unique 4.54, 4.60 A) &rst ixpk= 2385, nxpk= 10, iat=1144,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 77 ASP HB+ 81 ILE HN 5.50 (# 2386:10 Unique 4.61, 5.36 A) &rst ixpk= 2386, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1120,1121, &end # # 0 AMB 10-2:2387 0 AMB 10-1:2387 3.50 (# 2387:10 Double Ambig) &rst ixpk= 2387, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1158,1159, 615, 616, igr2=1166, 623, &end # # 81 ILE HB 81 ILE HN 2.80 (# 2388:10 Unique 2.23, 2.38 A) &rst ixpk= 2388, nxpk= 10, iat=1170,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 58 LEU HN 107 GLU HN 4.50 (# 2389:10 Unique 3.64, 3.72 A) &rst ixpk= 2389, nxpk= 10, iat= 821,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 VAL HA 107 GLU HN 5.50 (# 2390:10 Unique 4.64, 4.82 A) &rst ixpk= 2390, nxpk= 10, iat=1603,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 THR HA 107 GLU HN 5.50 (# 2391:10 Unique 4.71, 4.95 A) &rst ixpk= 2391, nxpk= 10, iat= 785,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ARG HB- 107 GLU HN 4.50 (# 2392:10 Unique 2.67, 3.95 A) &rst ixpk= 2392, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 801, 802, &end # # 56 THR MG2 107 GLU HN 5.50 (# 2394:10 Unique 4.16, 5.41 A) &rst ixpk= 2394, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 789, 790, 791, &end # # 109 ILE QD1 107 GLU HN 5.50 (# 2395:10 Unique 5.01, 6.38 A) &rst ixpk= 2395, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1630,1631,1632, &end # # 105 ILE HG1+ 107 GLU HN 5.50 (# 2396:10 Unique 5.50, 6.07 A) &rst ixpk= 2396, nxpk= 10, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1570,1571, &end # # 34 TRP HE1 142 TRP HN 5.50 (# 2397:10 Unique 3.12, 3.54 A) &rst ixpk= 2397, nxpk= 10, iat= 456,2151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 145 ASN HA 148 PHE HN 5.50 (# 2398:10 Unique 4.20, 4.47 A) &rst ixpk= 2398, nxpk= 10, iat=2199,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2399 0 AMB 10-1:2399 5.50 (# 2399:10 Double Ambig) &rst ixpk= 2399, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2088,2247, igr2=2151,2225, &end # # 0 AMB 10-2:2401 0 AMB 10-1:2401 4.50 (# 2401:10 Double Ambig) &rst ixpk= 2401, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=2090,2091,2090,2091,2133,2134,2090,2091, igr2=2151,2225, &end # # 146 GLY HA- 0 AMB 10-1:2402 4.50 (# 2402:10 Single Ambig) &rst ixpk= 2402, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2213,2214, igr2=2225,2151, &end # # 0 AMB 10-2:2403 0 AMB 10-1:2403 4.50 (# 2403:10 Double Ambig) &rst ixpk= 2403, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2213,2214,2213,2214, igr2=2225,2151, &end # # 0 AMB 10-2:2405 0 AMB 10-1:2405 4.50 (# 2405:10 Double Ambig) &rst ixpk= 2405, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1=1088,1089, 407, 408,2249,2250,2251, igr2=2225,2151, &end # # 139 LEU HB- 142 TRP HN 5.50 (# 2406:10 Unique 4.25, 5.18 A) &rst ixpk= 2406, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2114,2115, &end # # 75 ILE QD1 148 PHE HN 4.50 (# 2408:10 Unique 3.79, 4.90 A) &rst ixpk= 2408, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1091,1092,1093, &end # # 0 AMB 10-2:2409 0 AMB 10-1:2409 5.50 (# 2409:10 Double Ambig) &rst ixpk= 2409, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2119,2120,2121,2123,2124,2125,1665,1666,1667,1669, 1670,1671, igr2=2151,2225, &end # # 138 ARG HG- 0 AMB 10-1:2410 5.50 (# 2410:10 Single Ambig) &rst ixpk= 2410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2093,2094, igr2=2151,2225, &end # # 73 ILE QG2 148 PHE HN 5.50 (# 2411:10 Unique 5.74, 6.77 A) &rst ixpk= 2411, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 139 LEU MDY 142 TRP HN 5.50 (# 2412:10 Unique 4.61, 6.39 A) &rst ixpk= 2412, nxpk= 10, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 34 TRP HE1 34 TRP HN 5.50 (# 2413:10 Unique 4.40, 4.58 A) &rst ixpk= 2413, nxpk= 10, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 ASN HA 96 TYR HN 5.50 (# 2415:10 Unique 3.46, 3.50 A) &rst ixpk= 2415, nxpk= 10, iat=1392,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 139 LEU HB+ 34 TRP HN 5.50 (# 2416:10 Unique 3.86, 5.03 A) &rst ixpk= 2416, nxpk= 10, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2114,2115, &end # # 0 AMB 10-2:2418 18 ALA HN 5.50 (# 2418:10 Single Ambig) &rst ixpk= 2418, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 217, 218, 205, 206,1869,1870, &end # # 20 PRO HD+ 18 ALA HN 5.50 (# 2419:10 Unique 3.36, 4.28 A) &rst ixpk= 2419, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 19 GLY HA- 18 ALA HN 5.50 (# 2420:10 Unique 5.03, 5.32 A) &rst ixpk= 2420, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 244, 245, &end # # 0 AMB 10-2:2421 18 ALA HN 5.50 (# 2421:10 Single Ambig) &rst ixpk= 2421, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 151, 153, 154, &end # # 16 ASP HA 18 ALA HN 3.50 (# 2422:10 Unique 3.15, 3.33 A) &rst ixpk= 2422, nxpk= 10, iat= 215, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 19 GLY HN 18 ALA HN 4.50 (# 2423:10 Unique 2.80, 2.92 A) &rst ixpk= 2423, nxpk= 10, iat= 242, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2424 18 ALA HN 5.50 (# 2424:10 Single Ambig) &rst ixpk= 2424, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 135, 263, 282, &end # # 16 ASP HN 18 ALA HN 5.50 (# 2425:10 Unique 4.66, 4.90 A) &rst ixpk= 2425, nxpk= 10, iat= 213, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2426 18 ALA HN 5.50 (# 2426:10 Single Ambig) &rst ixpk= 2426, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 253, 254, 256, 257,1725,1726, &end # # 77 ASP HN 150 GLN HE2+ 5.50 (# 2427:10 Unique 2.60, 3.33 A) &rst ixpk= 2427, nxpk= 10, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 45 ASN HA 45 ASN HD2- 5.50 (# 2428:10 Unique 3.43, 4.52 A) &rst ixpk= 2428, nxpk= 10, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 606, 607, &end # # 0 AMB 10-2:2429 0 AMB 10-1:2429 4.50 (# 2429:10 Double Ambig) &rst ixpk= 2429, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=2259,2260,2259,2260, igr2=2267,2268,2267,2268, &end # # 72 GLU HG- 69 ASN HD2+ 5.50 (# 2431:10 Unique 2.32, 5.02 A) &rst ixpk= 2431, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, igr2= 994, 995, &end # # 126 GLN HB- 126 GLN HE2+ 4.50 (# 2432:10 Unique 3.55, 4.50 A) &rst ixpk= 2432, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1897,1898, igr2=1905,1906, &end # # 0 AMB 10-2:2433 0 AMB 10-1:2433 5.50 (# 2433:10 Double Ambig) &rst ixpk= 2433, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1897,1898,1917,1918, igr2=1905,1906,1905,1906, &end # # 41 SER HB+ 10 ASN HD2+ 5.50 (# 2434:10 Unique 2.98, 5.23 A) &rst ixpk= 2434, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 144, 145, &end # # 130 ASP HN 128 ILE HN 5.50 (# 2435:10 Unique 4.12, 4.25 A) &rst ixpk= 2435, nxpk= 10, iat=1965,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA HN 128 ILE HN 5.50 (# 2436:10 Unique 4.58, 4.67 A) &rst ixpk= 2436, nxpk= 10, iat=1977,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2437 128 ILE HN 5.50 (# 2437:10 Single Ambig) &rst ixpk= 2437, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1881,1864,1967, &end # # 71 GLY HA+ 128 ILE HN 5.50 (# 2438:10 Unique 4.13, 4.44 A) &rst ixpk= 2438, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 71 GLY HA- 128 ILE HN 5.50 (# 2439:10 Unique 4.13, 4.44 A) &rst ixpk= 2439, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 124 MET HG- 128 ILE HN 5.50 (# 2440:10 Unique 3.86, 4.47 A) &rst ixpk= 2440, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1869,1870, &end # # 0 AMB 10-2:2441 128 ILE HN 4.50 (# 2441:10 Single Ambig) &rst ixpk= 2441, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1869,1870,1969,1970,1969,1970, 205, 206, &end # # 127 PRO HB+ 128 ILE HN 4.50 (# 2442:10 Unique 2.86, 3.72 A) &rst ixpk= 2442, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1917,1918, &end # # 127 PRO HG- 128 ILE HN 3.50 (# 2443:10 Unique 2.37, 3.47 A) &rst ixpk= 2443, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1914,1915, &end # # 129 LYS HB- 128 ILE HN 5.50 (# 2444:10 Unique 4.32, 5.43 A) &rst ixpk= 2444, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1947,1948, &end # # 125 THR HN 128 ILE HN 5.50 (# 2445:10 Unique 4.17, 4.38 A) &rst ixpk= 2445, nxpk= 10, iat=1879,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2446 100 GLN HE2- 5.50 (# 2446:10 Single Ambig) &rst ixpk= 2446, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 629, 630, 631, 636, 637, 638, igr2=1487,1488, &end # # 99 ASP HB+ 100 GLN HE2- 5.50 (# 2447:10 Unique 2.19, 4.64 A) &rst ixpk= 2447, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468, igr2=1487,1488, &end # # 96 TYR HA 100 GLN HE2- 5.50 (# 2448:10 Unique 3.47, 4.86 A) &rst ixpk= 2448, nxpk= 10, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 33 ASN HA 33 ASN HD2+ 5.50 (# 2449:10 Unique 2.22, 4.09 A) &rst ixpk= 2449, nxpk= 10, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 441, 442, &end # # 0 AMB 10-2:2450 0 AMB 10-1:2450 5.50 (# 2450:10 Double Ambig) &rst ixpk= 2450, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 448, 427, 428, 427, 428, igr2= 441, 442, 441, 442, 441, 442, &end # # 64 THR MG2 91 ASN HD2+ 5.50 (# 2451:10 Unique 4.01, 6.12 A) &rst ixpk= 2451, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 922, 923, 924, igr2=1335,1336, &end # # 88 THR MG2 91 ASN HD2+ 5.50 (# 2452:10 Unique 2.35, 4.26 A) &rst ixpk= 2452, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1287,1288,1289, igr2=1335,1336, &end # # 0 AMB 10-2:2453 0 AMB 10-1:2453 5.50 (# 2453:10 Double Ambig) &rst ixpk= 2453, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 629, 630, 631, 636, 637, 638, igr2=1487,1488,1487,1488, &end # # 99 ASP HB- 100 GLN HE2+ 5.50 (# 2454:10 Unique 2.19, 4.64 A) &rst ixpk= 2454, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468, igr2=1487,1488, &end # # 99 ASP HB+ 100 GLN HE2+ 5.50 (# 2455:10 Unique 2.19, 4.64 A) &rst ixpk= 2455, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468, igr2=1487,1488, &end # # 97 LEU HA 100 GLN HE2+ 5.50 (# 2457:10 Unique 2.10, 3.00 A) &rst ixpk= 2457, nxpk= 10, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 100 GLN HA 100 GLN HE2+ 5.50 (# 2458:10 Unique 2.99, 4.56 A) &rst ixpk= 2458, nxpk= 10, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 82 ALA MB 95 ASN HD2+ 4.50 (# 2459:10 Unique 3.17, 4.56 A) &rst ixpk= 2459, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1189,1190,1191, igr2=1399,1400, &end # # 0 AMB 10-2:2460 0 AMB 10-1:2460 5.50 (# 2460:10 Double Ambig) &rst ixpk= 2460, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1361,1362,1361,1362, igr2=1399,1400,1399,1400, &end # # 85 PHE HB- 95 ASN HD2+ 5.50 (# 2461:10 Unique 5.97, 7.16 A) &rst ixpk= 2461, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1231,1232, igr2=1399,1400, &end # # 0 AMB 10-2:2462 0 AMB 10-1:2462 5.50 (# 2462:10 Double Ambig) &rst ixpk= 2462, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1187,1373, igr2=1399,1400,1399,1400, &end # # 95 ASN HN 95 ASN HD2+ 5.50 (# 2463:10 Unique 2.21, 3.22 A) &rst ixpk= 2463, nxpk= 10, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1399,1400, &end # # 8 VAL HN 19 GLY HN 5.50 (# 2464:10 Unique 3.63, 3.70 A) &rst ixpk= 2464, nxpk= 10, iat= 112, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2465 19 GLY HN 5.50 (# 2465:10 Single Ambig) &rst ixpk= 2465, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 263, 282, 135, 301, &end # # 62 ASP HA 19 GLY HN 5.50 (# 2466:10 Unique 2.37, 2.54 A) &rst ixpk= 2466, nxpk= 10, iat= 896, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2467 19 GLY HN 5.50 (# 2467:10 Single Ambig) &rst ixpk= 2467, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 103, 215, &end # # 9 GLY HA- 19 GLY HN 5.50 (# 2469:10 Unique 2.84, 3.80 A) &rst ixpk= 2469, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 130, 131, &end # # 20 PRO HB+ 19 GLY HN 5.50 (# 2470:10 Unique 5.01, 5.70 A) &rst ixpk= 2470, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 0 AMB 10-2:2471 19 GLY HN 5.50 (# 2471:10 Single Ambig) &rst ixpk= 2471, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 898, 899, 105, 106, &end # # 20 PRO HG- 19 GLY HN 5.50 (# 2473:10 Unique 4.72, 5.00 A) &rst ixpk= 2473, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 253, 254, &end # # 0 AMB 10-2:2474 19 GLY HN 5.50 (# 2474:10 Single Ambig) &rst ixpk= 2474, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 267, 268, 910, 911, 912, 305, 306, 307, 270, &end # # 0 AMB 10-2:2475 19 GLY HN 5.50 (# 2475:10 Single Ambig) &rst ixpk= 2475, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297,1930,1931,1932, &end # # 61 VAL MGX 19 GLY HN 5.50 (# 2476:10 Unique 3.89, 6.31 A) &rst ixpk= 2476, nxpk= 10, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 884, 885, 886, 888, 889, 890, &end # # 63 ALA HA 63 ALA HN 3.50 (# 2477:10 Unique 2.91, 2.93 A) &rst ixpk= 2477, nxpk= 10, iat= 908, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 ALA HN 74 ARG HE 5.50 (# 2478:10 Unique 4.33, 5.20 A) &rst ixpk= 2478, nxpk= 10, iat=2291,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ARG HA 74 ARG HE 5.50 (# 2479:10 Unique 4.65, 4.87 A) &rst ixpk= 2479, nxpk= 10, iat=1056,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 151 LEU HA 74 ARG HE 5.50 (# 2480:10 Unique 3.24, 3.95 A) &rst ixpk= 2480, nxpk= 10, iat=2274,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 ARG HD- 74 ARG HE 3.50 (# 2481:10 Unique 2.24, 2.62 A) &rst ixpk= 2481, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1064,1065, &end # # 0 AMB 10-2:2482 74 ARG HE 5.50 (# 2482:10 Single Ambig) &rst ixpk= 2482, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1058,1059, 970, 971, &end # # 74 ARG HG+ 74 ARG HE 5.50 (# 2483:10 Unique 2.48, 3.14 A) &rst ixpk= 2483, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1061,1062, &end # # 151 LEU MDY 74 ARG HE 5.50 (# 2484:10 Unique 4.08, 6.42 A) &rst ixpk= 2484, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:2485 74 ARG HE 4.50 (# 2485:10 Single Ambig) &rst ixpk= 2485, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, &end # # 74 ARG HB+ 74 ARG HE 5.50 (# 2486:10 Unique 4.30, 4.71 A) &rst ixpk= 2486, nxpk= 10, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1058,1059, &end # # 0 AMB 10-2:2487 51 ARG HE 4.50 (# 2487:10 Single Ambig) &rst ixpk= 2487, nxpk= 10, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, &end # # 101 LEU HA 51 ARG HE 5.50 (# 2492:10 Unique 2.50, 3.43 A) &rst ixpk= 2492, nxpk= 10, iat=1494, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ARG HA 51 ARG HE 5.50 (# 2493:10 Unique 4.91, 5.12 A) &rst ixpk= 2493, nxpk= 10, iat= 689, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2495 54 ARG HE 4.50 (# 2495:10 Single Ambig) &rst ixpk= 2495, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 755, 756, 755, 756, &end # # 3 ASP HB- 57 ARG HE 5.50 (# 2499:10 Unique 3.95, 4.71 A) &rst ixpk= 2499, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 39, 40, &end # # 109 ILE QD1 57 ARG HE 5.50 (# 2500:10 Unique 4.88, 5.88 A) &rst ixpk= 2500, nxpk= 10, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1630,1631,1632, &end # # 0 AMB 10-2:2501 68 LEU HN 5.50 (# 2501:10 Single Ambig) &rst ixpk= 2501, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720,1009, 920, &end # # 66 MET HA 68 LEU HN 5.50 (# 2502:10 Unique 4.48, 4.53 A) &rst ixpk= 2502, nxpk= 10, iat= 944, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 ASP HA 68 LEU HN 5.50 (# 2503:10 Unique 5.11, 5.18 A) &rst ixpk= 2503, nxpk= 10, iat= 932, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 ASN HN 68 LEU HN 4.50 (# 2504:10 Unique 3.12, 3.23 A) &rst ixpk= 2504, nxpk= 10, iat= 985, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 LEU HG 68 LEU HN 2.80 (# 2505:10 Unique 2.43, 2.51 A) &rst ixpk= 2505, nxpk= 10, iat= 973, 966, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 68 LEU HB- 68 LEU HN 3.50 (# 2506:10 Unique 2.37, 3.04 A) &rst ixpk= 2506, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 970, 971, &end # # 151 LEU MDY 68 LEU HN 5.50 (# 2507:10 Unique 5.79, 7.39 A) &rst ixpk= 2507, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2281,2282,2283,2285,2286,2287, &end # # 66 MET HG+ 68 LEU HN 5.50 (# 2508:10 Unique 5.12, 5.44 A) &rst ixpk= 2508, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 949, 950, &end # # 0 AMB 10-2:2509 68 LEU HN 5.50 (# 2509:10 Single Ambig) &rst ixpk= 2509, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, 934, 935, &end # # 0 AMB 10-2:2510 0 AMB 10-1:2510 5.50 (# 2510:10 Double Ambig) &rst ixpk= 2510, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1=1725,1726, 116, 51,1873,1874,1875, igr2= 906, 35, &end # # 78 PRO HA 80 ASP HN 4.50 (# 2511:10 Unique 3.68, 3.83 A) &rst ixpk= 2511, nxpk= 10, iat=1138,1154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 MET HA 86 MET HN 4.50 (# 2512:10 Unique 3.58, 4.00 A) &rst ixpk= 2512, nxpk= 10, iat=1212,1247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 GLU HA 86 MET HN 5.50 (# 2513:10 Unique 3.71, 3.84 A) &rst ixpk= 2513, nxpk= 10, iat=1197,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 TYR HD 97 LEU HN 4.50 (# 2514:10 Unique 3.23, 3.96 A) &rst ixpk= 2514, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1412,1421, &end # # 0 AMB 10-2:2515 97 LEU HN 5.50 (# 2515:10 Single Ambig) &rst ixpk= 2515, nxpk= 10, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1463,1371, &end # # 53 LEU HA 53 LEU HN 2.80 (# 2516:10 Unique 2.87, 2.90 A) &rst ixpk= 2516, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 10-2:2517 0 AMB 10-1:2517 2.80 (# 2517:10 Double Ambig) &rst ixpk= 2517, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2293,1342, igr2=2301,1340, &end # # 153 VAL HA 153 VAL HN 2.80 (# 2519:10 Unique 2.21, 2.61 A) &rst ixpk= 2519, nxpk= 10, iat=2303,2301, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 66 MET HN 114 GLN HE2- 3.50 (# 2520:10 Unique 1.95, 2.82 A) &rst ixpk= 2520, nxpk= 10, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1713,1714, &end # # 68 LEU HN 114 GLN HE2- 5.50 (# 2521:10 Unique 3.69, 4.12 A) &rst ixpk= 2521, nxpk= 10, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 15 ASP HA 17 GLY HN 4.50 (# 2522:10 Unique 3.39, 3.61 A) &rst ixpk= 2522, nxpk= 10, iat= 203, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU HA 6 LEU HN 2.80 (# 2523:10 Unique 2.21, 2.26 A) &rst ixpk= 2523, nxpk= 10, iat= 65, 82, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 72 GLU HB- 72 GLU HN 3.50 (# 2524:10 Unique 2.24, 2.92 A) &rst ixpk= 2524, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1024,1025, &end # # 136 TYR HD 137 GLN HE2- 3.50 (# 2525:10 Unique 3.20, 6.59 A) &rst ixpk= 2525, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2056,2065, igr2=2081,2082, &end # # 73 ILE QG2 149 ALA HN 5.50 (# 2526:10 Unique 4.41, 5.88 A) &rst ixpk= 2526, nxpk= 10, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 0 AMB 10-2:2527 126 GLN HE2- 5.50 (# 2527:10 Single Ambig) &rst ixpk= 2527, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1897,1898,1917,1918, igr2=1905,1906, &end # # 0 AMB 10-2:2529 4 VAL HN 5.50 (# 2529:10 Single Ambig) &rst ixpk= 2529, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, igr1= 476, 477, 478, 480, 481, 482,1630,1631,1632, 512, 513, &end # # 0 AMB 10-2:2530 5 LEU HN 5.50 (# 2530:10 Single Ambig) &rst ixpk= 2530, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 512, 513, 476, 477, 478, 480, 481, 482, &end # # 4 VAL MGY 5 LEU HN 3.50 (# 2531:10 Unique 2.52, 4.01 A) &rst ixpk= 2531, nxpk= 10, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 53, 54, 55, 57, 58, 59, &end # # 5 LEU HA 5 LEU HN 3.50 (# 2532:10 Unique 2.97, 2.98 A) &rst ixpk= 2532, nxpk= 10, iat= 65, 63, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 VAL HN 9 GLY HN 4.50 (# 2533:10 Unique 4.26, 4.39 A) &rst ixpk= 2533, nxpk= 10, iat= 112, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2534 10 ASN HN 4.50 (# 2534:10 Single Ambig) &rst ixpk= 2534, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 151, 542, 543, 153, 154, &end # # 16 ASP HA 10 ASN HN 5.50 (# 2535:10 Unique 4.15, 4.32 A) &rst ixpk= 2535, nxpk= 10, iat= 215, 135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 SER HB- 10 ASN HN 5.50 (# 2536:10 Unique 3.39, 4.71 A) &rst ixpk= 2536, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 551, 552, &end # # 0 AMB 10-2:2537 11 SER HN 5.50 (# 2537:10 Single Ambig) &rst ixpk= 2537, nxpk= 10, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 542, 543, 130, 131, &end # # 0 AMB 10-2:2538 12 MET HN 5.50 (# 2538:10 Single Ambig) &rst ixpk= 2538, nxpk= 10, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1788, 215, &end # # 124 MET HA 14 GLY HN 5.50 (# 2540:10 Unique 4.69, 5.05 A) &rst ixpk= 2540, nxpk= 10, iat=1864, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2541 14 GLY HN 5.50 (# 2541:10 Single Ambig) &rst ixpk= 2541, nxpk= 10, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1808, 151, &end # # 0 AMB 10-2:2542 17 GLY HN 5.50 (# 2542:10 Single Ambig) &rst ixpk= 2542, nxpk= 10, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 181, 182, 188, 189, 190, &end # # 124 MET ME 21 LEU HN 3.50 (# 2543:10 Unique 3.60, 4.40 A) &rst ixpk= 2543, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1873,1874,1875, &end # # 20 PRO HB- 24 GLU HN 5.50 (# 2545:10 Unique 5.16, 5.48 A) &rst ixpk= 2545, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 25 LYS HG+ 24 GLU HN 5.50 (# 2546:10 Unique 4.32, 5.17 A) &rst ixpk= 2546, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 333, 334, &end # # 26 CYS HB+ 24 GLU HN 5.50 (# 2547:10 Unique 4.96, 6.21 A) &rst ixpk= 2547, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 0 AMB 10-2:2549 26 CYS HN 5.50 (# 2549:10 Single Ambig) &rst ixpk= 2549, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 336, 337, 286, 287, &end # # 0 AMB 10-2:2550 27 ALA HN 5.50 (# 2550:10 Single Ambig) &rst ixpk= 2550, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 318, 319, 393, 394, &end # # 30 PRO HD- 28 ALA HN 5.50 (# 2551:10 Unique 4.97, 5.93 A) &rst ixpk= 2551, nxpk= 10, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 390, 391, &end # # 30 PRO HG+ 29 ALA HN 5.50 (# 2552:10 Unique 4.81, 5.97 A) &rst ixpk= 2552, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 393, 394, &end # # 36 VAL MGX 29 ALA HN 5.50 (# 2553:10 Unique 5.86, 7.68 A) &rst ixpk= 2553, nxpk= 10, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 492, 493, 494, 496, 497, 498, &end # # 141 GLY HN 32 GLY HN 5.50 (# 2554:10 Unique 5.29, 5.53 A) &rst ixpk= 2554, nxpk= 10, iat=2144, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2555 31 LYS HN 4.50 (# 2555:10 Single Ambig) &rst ixpk= 2555, nxpk= 10, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2117, 393, 394,2133,2134, &end # # 34 TRP HB- 33 ASN HN 5.50 (# 2558:10 Unique 4.12, 5.22 A) &rst ixpk= 2558, nxpk= 10, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 35 VAL HA 34 TRP HN 5.50 (# 2559:10 Unique 4.92, 5.12 A) &rst ixpk= 2559, nxpk= 10, iat= 472, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 LEU HA 54 ARG HN 3.50 (# 2560:10 Unique 3.22, 3.27 A) &rst ixpk= 2560, nxpk= 10, iat= 728, 745, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:2561 35 VAL HN 5.50 (# 2561:10 Single Ambig) &rst ixpk= 2561, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 67, 68, 773, 774, 506, &end # # 0 AMB 10-2:2562 35 VAL HN 5.50 (# 2562:10 Single Ambig) &rst ixpk= 2562, nxpk= 10, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 37, 65, &end # # 5 LEU HN 36 VAL HN 5.50 (# 2563:10 Unique 4.41, 4.74 A) &rst ixpk= 2563, nxpk= 10, iat= 63, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2564 37 ILE HN 5.50 (# 2564:10 Single Ambig) &rst ixpk= 2564, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 86, 87, 51, &end # # 5 LEU HA 37 ILE HN 5.50 (# 2565:10 Unique 4.92, 5.01 A) &rst ixpk= 2565, nxpk= 10, iat= 65, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 CYS HB+ 38 ASP HN 5.50 (# 2566:10 Unique 4.81, 5.78 A) &rst ixpk= 2566, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 7 CYS HB- 38 ASP HN 5.50 (# 2567:10 Unique 4.81, 5.78 A) &rst ixpk= 2567, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 87 MET HB+ 87 MET HN 3.50 (# 2569:10 Unique 2.37, 2.52 A) &rst ixpk= 2569, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1268,1269, &end # # 20 PRO HB- 10 ASN HN 5.50 (# 2570:10 Unique 5.35, 6.26 A) &rst ixpk= 2570, nxpk= 10, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 0 AMB 10-2:2571 40 GLY HN 5.50 (# 2571:10 Single Ambig) &rst ixpk= 2571, nxpk= 10, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 101, 521, &end # # 39 GLY HA- 41 SER HN 5.50 (# 2572:10 Unique 4.06, 5.87 A) &rst ixpk= 2572, nxpk= 10, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 535, 536, &end # # 8 VAL MGY 42 ALA HN 5.50 (# 2573:10 Unique 4.04, 6.06 A) &rst ixpk= 2573, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGX 42 ALA HN 5.50 (# 2574:10 Unique 4.04, 6.06 A) &rst ixpk= 2574, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 44 GLU HB+ 45 ASN HN 3.50 (# 2576:10 Unique 2.80, 3.98 A) &rst ixpk= 2576, nxpk= 10, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 586, 587, &end # # 39 GLY HA- 46 ASP HN 5.50 (# 2579:10 Unique 4.55, 4.99 A) &rst ixpk= 2579, nxpk= 10, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 535, 536, &end # # 106 GLY HA- 105 ILE HN 5.50 (# 2580:10 Unique 5.11, 5.87 A) &rst ixpk= 2580, nxpk= 10, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1581,1582, &end # # 49 ALA MB 48 VAL HN 4.50 (# 2581:10 Unique 5.06, 5.56 A) &rst ixpk= 2581, nxpk= 10, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 662, 663, 664, &end # # 0 AMB 10-2:2582 49 ALA HN 5.50 (# 2582:10 Single Ambig) &rst ixpk= 2582, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 515, 516, 517, 508, 509, 510,1501,1502,1503,1505, 1506,1507, &end # # 0 AMB 10-2:2583 49 ALA HN 4.50 (# 2583:10 Single Ambig) &rst ixpk= 2583, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507, 636, 637, 638, &end # # 50 ILE HG1- 49 ALA HN 4.50 (# 2584:10 Unique 4.04, 5.12 A) &rst ixpk= 2584, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 678, 679, &end # # 52 GLU HG- 49 ALA HN 5.50 (# 2585:10 Unique 4.82, 5.40 A) &rst ixpk= 2585, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 718, 719, &end # # 46 ASP HB+ 49 ALA HN 5.50 (# 2586:10 Unique 4.11, 4.86 A) &rst ixpk= 2586, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 47 ILE HN 50 ILE HN 5.50 (# 2588:10 Unique 4.93, 4.98 A) &rst ixpk= 2588, nxpk= 10, iat= 623, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 LEU HN 50 ILE HN 5.50 (# 2589:10 Unique 4.97, 5.06 A) &rst ixpk= 2589, nxpk= 10, iat= 726, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 46 ASP HB- 50 ILE HN 5.50 (# 2590:10 Unique 3.68, 4.65 A) &rst ixpk= 2590, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 126 GLN HB- 126 GLN HE2- 4.50 (# 2591:10 Unique 3.55, 4.50 A) &rst ixpk= 2591, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1897,1898, igr2=1905,1906, &end # # 0 AMB 10-2:2592 50 ILE HN 4.50 (# 2592:10 Single Ambig) &rst ixpk= 2592, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 715, 716, 715, 716, 646, &end # # 0 AMB 10-2:2593 50 ILE HN 4.50 (# 2593:10 Single Ambig) &rst ixpk= 2593, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 694, 695,1499, 633, 634, &end # # 0 AMB 10-2:2595 51 ARG HN 4.50 (# 2595:10 Single Ambig) &rst ixpk= 2595, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739, 740, 741, 53, 54, 55, 57, 58, 59,1570,1571, &end # # 51 ARG HN 53 LEU HN 4.50 (# 2597:10 Unique 4.19, 4.25 A) &rst ixpk= 2597, nxpk= 10, iat= 687, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 51 ARG HA 53 LEU HN 4.50 (# 2598:10 Unique 3.78, 3.95 A) &rst ixpk= 2598, nxpk= 10, iat= 689, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 ILE QD1 53 LEU HN 5.50 (# 2599:10 Unique 4.99, 5.57 A) &rst ixpk= 2599, nxpk= 10, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 515, 516, 517, &end # # 56 THR HA 56 THR HN 3.50 (# 2600:10 Unique 2.87, 2.89 A) &rst ixpk= 2600, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 PRO HD- 56 THR HN 5.50 (# 2601:10 Unique 5.31, 5.57 A) &rst ixpk= 2601, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 770, 771, &end # # 3 ASP HB+ 57 ARG HN 5.50 (# 2602:10 Unique 4.23, 5.33 A) &rst ixpk= 2602, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 39, 40, &end # # 55 PRO HG- 57 ARG HN 5.50 (# 2603:10 Unique 5.00, 5.34 A) &rst ixpk= 2603, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 773, 774, &end # # 0 AMB 10-2:2604 57 ARG HN 5.50 (# 2604:10 Single Ambig) &rst ixpk= 2604, nxpk= 10, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1590,1591, 474, &end # # 0 AMB 10-2:2605 58 LEU HN 5.50 (# 2605:10 Single Ambig) &rst ixpk= 2605, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 842, 49, &end # # 0 AMB 10-2:2606 58 LEU HN 5.50 (# 2606:10 Single Ambig) &rst ixpk= 2606, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 53, 54, 55, 57, 58, 59,1570,1571, &end # # 0 AMB 10-2:2608 58 LEU HN 4.50 (# 2608:10 Single Ambig) &rst ixpk= 2608, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 828,1564, &end # # 107 GLU HG+ 58 LEU HN 5.50 (# 2609:10 Unique 4.06, 5.10 A) &rst ixpk= 2609, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1593,1594, &end # # 0 AMB 10-2:2610 59 LEU HN 5.50 (# 2610:10 Single Ambig) &rst ixpk= 2610, nxpk= 10, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 51, 86, 87, &end # # 5 LEU MDX 60 ILE HN 5.50 (# 2612:10 Unique 4.40, 7.02 A) &rst ixpk= 2612, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 10-2:2613 60 ILE HN 5.50 (# 2613:10 Single Ambig) &rst ixpk= 2613, nxpk= 10, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1627,1628, 70, &end # # 0 AMB 10-2:2614 62 ASP HN 5.50 (# 2614:10 Single Ambig) &rst ixpk= 2614, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1692,1693, 236, 237, 238, &end # # 113 ILE QD1 64 THR HN 5.50 (# 2615:10 Unique 5.85, 6.67 A) &rst ixpk= 2615, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1695,1696,1697, &end # # 0 AMB 10-2:2616 64 THR HN 5.50 (# 2616:10 Single Ambig) &rst ixpk= 2616, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1692,1693,1110,1111,1112, &end # # 0 AMB 10-2:2618 64 THR HN 5.50 (# 2618:10 Single Ambig) &rst ixpk= 2618, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 949, 950,1705,1706,1705,1706,1708,1709, &end # # 114 GLN HA 64 THR HN 4.50 (# 2619:10 Unique 3.52, 3.60 A) &rst ixpk= 2619, nxpk= 10, iat=1703, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2621 64 THR HN 5.50 (# 2621:10 Single Ambig) &rst ixpk= 2621, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1701,1054, &end # # 114 GLN HE2- 65 ASP HN 5.50 (# 2622:10 Unique 4.98, 5.44 A) &rst ixpk= 2622, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 87 MET HN 65 ASP HN 5.50 (# 2623:10 Unique 5.10, 5.49 A) &rst ixpk= 2623, nxpk= 10, iat=1264, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 MET HG+ 65 ASP HN 5.50 (# 2624:10 Unique 4.19, 5.13 A) &rst ixpk= 2624, nxpk= 10, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 949, 950, &end # # 58 LEU HG 60 ILE HN 5.50 (# 2625:10 Unique 3.96, 4.21 A) &rst ixpk= 2625, nxpk= 10, iat= 828, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 LEU HA 96 TYR HN 5.50 (# 2626:10 Unique 3.11, 3.20 A) &rst ixpk= 2626, nxpk= 10, iat=1373,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR HN 66 MET HN 5.50 (# 2627:10 Unique 5.59, 5.62 A) &rst ixpk= 2627, nxpk= 10, iat= 916, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 LEU HB+ 67 GLY HN 5.50 (# 2629:10 Unique 5.12, 5.85 A) &rst ixpk= 2629, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 970, 971, &end # # 0 AMB 10-2:2630 68 LEU HN 4.50 (# 2630:10 Single Ambig) &rst ixpk= 2630, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 953, 954, 955,1024,1025, &end # # 66 MET HB+ 68 LEU HN 4.50 (# 2631:10 Unique 2.76, 3.34 A) &rst ixpk= 2631, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 946, 947, &end # # 72 GLU HG- 68 LEU HN 5.50 (# 2632:10 Unique 4.78, 5.64 A) &rst ixpk= 2632, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1027,1028, &end # # 0 AMB 10-2:2633 71 GLY HN 4.50 (# 2633:10 Single Ambig) &rst ixpk= 2633, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1003,1004, 953, 954, 955,1725,1726, &end # # 70 PRO HD- 71 GLY HN 5.50 (# 2634:10 Unique 5.33, 5.58 A) &rst ixpk= 2634, nxpk= 10, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1000,1001, &end # # 128 ILE HA 71 GLY HN 4.50 (# 2635:10 Unique 3.72, 3.79 A) &rst ixpk= 2635, nxpk= 10, iat=1926,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 PRO HD- 72 GLU HN 5.50 (# 2637:10 Unique 5.84, 5.99 A) &rst ixpk= 2637, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1000,1001, &end # # 71 GLY HA- 72 GLU HN 3.50 (# 2639:10 Unique 3.15, 3.33 A) &rst ixpk= 2639, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1015,1016, &end # # 12 MET HB+ 13 MET HN 4.50 (# 2640:10 Unique 4.27, 4.49 A) &rst ixpk= 2640, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 164, 165, &end # # 0 AMB 10-2:2641 13 MET HN 3.50 (# 2641:10 Single Ambig) &rst ixpk= 2641, nxpk= 10, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 167, 168, 139, 140, &end # # 0 AMB 10-2:2643 73 ILE HN 5.50 (# 2643:10 Single Ambig) &rst ixpk= 2643, nxpk= 10, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1688,1689,1690,1665,1666,1667,1669,1670,1671, &end # # 151 LEU MDX 153 VAL HN 4.50 (# 2644:10 Unique 1.92, 5.42 A) &rst ixpk= 2644, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2281,2282,2283,2285,2286,2287, &end # # 151 LEU MDY 153 VAL HN 5.50 (# 2645:10 Unique 1.92, 5.42 A) &rst ixpk= 2645, nxpk= 10, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:2647 0 AMB 10-1:2647 5.50 (# 2647:10 Double Ambig) &rst ixpk= 2647, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2276,2277,1663, igr2=2301,1035, &end # # 151 LEU HG 153 VAL HN 4.50 (# 2649:10 Unique 2.21, 4.15 A) &rst ixpk= 2649, nxpk= 10, iat=2279,2301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 PRO HD- 92 MET HN 4.50 (# 2651:10 Unique 4.36, 4.87 A) &rst ixpk= 2651, nxpk= 10, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1358,1359, &end # # 0 AMB 10-2:2652 72 GLU HN 5.50 (# 2652:10 Single Ambig) &rst ixpk= 2652, nxpk= 10, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918,1692,1693, &end # # 0 AMB 10-2:2654 74 ARG HN 4.50 (# 2654:10 Single Ambig) &rst ixpk= 2654, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1035, 916, &end # # 150 GLN HB- 151 LEU HN 4.50 (# 2656:10 Unique 2.58, 4.21 A) &rst ixpk= 2656, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2259,2260, &end # # 74 ARG HB+ 151 LEU HN 3.50 (# 2657:10 Unique 2.41, 3.31 A) &rst ixpk= 2657, nxpk= 10, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1058,1059, &end # # 150 GLN HN 75 ILE HN 5.50 (# 2658:10 Unique 4.40, 4.49 A) &rst ixpk= 2658, nxpk= 10, iat=2255,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ILE HG1- 76 ILE HN 4.50 (# 2659:10 Unique 2.58, 3.13 A) &rst ixpk= 2659, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1107,1108, &end # # 111 LEU MDX 76 ILE HN 5.50 (# 2660:10 Unique 5.83, 7.01 A) &rst ixpk= 2660, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 10-2:2661 77 ASP HN 4.50 (# 2661:10 Single Ambig) &rst ixpk= 2661, nxpk= 10, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1107,1108,2281,2282,2283,2285,2286,2287, &end # # 0 AMB 10-2:2662 103 GLU HN 3.50 (# 2662:10 Single Ambig) &rst ixpk= 2662, nxpk= 10, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1537,1538,1515,1516, &end # # 76 ILE QG2 80 ASP HN 4.50 (# 2664:10 Unique 3.67, 4.71 A) &rst ixpk= 2664, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1103,1104,1105, &end # # 81 ILE HG1+ 80 ASP HN 4.50 (# 2665:10 Unique 3.63, 4.44 A) &rst ixpk= 2665, nxpk= 10, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 0 AMB 10-2:2666 0 AMB 10-1:2666 5.50 (# 2666:10 Double Ambig) &rst ixpk= 2666, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 454,2267,2268, igr2=2129,1154, &end # # 45 ASN HA 47 ILE HN 5.50 (# 2667:10 Unique 3.96, 4.00 A) &rst ixpk= 2667, nxpk= 10, iat= 599, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2668 0 AMB 10-1:2668 5.50 (# 2668:10 Double Ambig) &rst ixpk= 2668, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1120,1121, 601, 602,1231,1232, igr2=1166, 623, &end # # 0 AMB 10-2:2669 0 AMB 10-1:2669 4.50 (# 2669:10 Double Ambig) &rst ixpk= 2669, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 586, 587, 646,1135,1136,1199,1200, igr2= 623,1166, &end # # 0 AMB 10-2:2670 81 ILE HN 5.50 (# 2670:10 Single Ambig) &rst ixpk= 2670, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1135,1136,1132,1133, &end # # 0 AMB 10-2:2671 0 AMB 10-1:2671 5.50 (# 2671:10 Double Ambig) &rst ixpk= 2671, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1367,1684, igr2=1340,1035, &end # # 0 AMB 10-2:2672 47 ILE HN 3.50 (# 2672:10 Single Ambig) &rst ixpk= 2672, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 681, 682, 683,1434,1435,1436,1438,1439,1440, 678, 679, &end # # 80 ASP HN 83 GLU HN 5.50 (# 2673:10 Unique 5.21, 5.35 A) &rst ixpk= 2673, nxpk= 10, iat=1154,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 MET HB+ 83 GLU HN 5.50 (# 2675:10 Unique 4.03, 4.89 A) &rst ixpk= 2675, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1214,1215, &end # # 81 ILE HG1- 83 GLU HN 5.50 (# 2676:10 Unique 6.06, 6.22 A) &rst ixpk= 2676, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1176,1177, &end # # 82 ALA HA 84 MET HN 5.50 (# 2678:10 Unique 4.80, 4.90 A) &rst ixpk= 2678, nxpk= 10, iat=1187,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2679 85 PHE HN 5.50 (# 2679:10 Single Ambig) &rst ixpk= 2679, nxpk= 10, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1199,1200,1364,1365, &end # # 81 ILE QG2 86 MET HN 5.50 (# 2680:10 Unique 5.69, 6.77 A) &rst ixpk= 2680, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1172,1173,1174, &end # # 0 AMB 10-2:2681 86 MET HN 5.50 (# 2681:10 Single Ambig) &rst ixpk= 2681, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1364,1365,1217,1218, &end # # 85 PHE HB- 86 MET HN 3.50 (# 2682:10 Unique 2.87, 3.44 A) &rst ixpk= 2682, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1231,1232, &end # # 91 ASN HB- 86 MET HN 5.50 (# 2683:10 Unique 3.80, 4.64 A) &rst ixpk= 2683, nxpk= 10, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1330,1331, &end # # 82 ALA HA 86 MET HN 5.50 (# 2684:10 Unique 4.91, 5.37 A) &rst ixpk= 2684, nxpk= 10, iat=1187,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PRO HA 86 MET HN 5.50 (# 2685:10 Unique 3.88, 5.01 A) &rst ixpk= 2685, nxpk= 10, iat=1367,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2686 87 MET HN 3.50 (# 2686:10 Single Ambig) &rst ixpk= 2686, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1268,1269,1251,1252, &end # # 0 AMB 10-2:2691 99 ASP HN 5.50 (# 2691:10 Single Ambig) &rst ixpk= 2691, nxpk= 10, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1524,1525,1524,1525, &end # # 90 HIS HB+ 90 HIS HN 5.50 (# 2692:10 Unique 2.28, 3.33 A) &rst ixpk= 2692, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 0 AMB 10-2:2693 0 AMB 10-1:2693 5.50 (# 2693:10 Double Ambig) &rst ixpk= 2693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1404,1335,1336, igr2=1463,1309, &end # # 129 LYS HG+ 130 ASP HN 4.50 (# 2695:10 Unique 4.12, 4.69 A) &rst ixpk= 2695, nxpk= 10, iat= -1,1965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1950,1951, &end # # 95 ASN HD2- 95 ASN HN 5.50 (# 2696:10 Unique 2.21, 3.22 A) &rst ixpk= 2696, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1399,1400, &end # # 0 AMB 10-2:2697 95 ASN HN 5.50 (# 2697:10 Single Ambig) &rst ixpk= 2697, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1444,1227,1247, &end # # 0 AMB 10-2:2698 96 TYR HN 5.50 (# 2698:10 Single Ambig) &rst ixpk= 2698, nxpk= 10, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1371,1463, &end # # 99 ASP HB- 0 AMB 10-1:2700 5.50 (# 2700:10 Single Ambig) &rst ixpk= 2700, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468, igr2=1444,1533, &end # # 0 AMB 10-2:2702 0 AMB 10-1:2702 5.50 (# 2702:10 Double Ambig) &rst ixpk= 2702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1570,1571, 633, 634, igr2=1533,1444, &end # # 101 LEU HA 100 GLN HN 5.50 (# 2703:10 Unique 5.00, 5.17 A) &rst ixpk= 2703, nxpk= 10, iat=1494,1475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 LEU HB+ 100 GLN HN 5.50 (# 2704:10 Unique 3.83, 5.17 A) &rst ixpk= 2704, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1496,1497, &end # # 0 AMB 10-2:2705 100 GLN HN 5.50 (# 2705:10 Single Ambig) &rst ixpk= 2705, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1429,1430,1454,1455, &end # # 0 AMB 10-2:2706 101 LEU HN 4.50 (# 2706:10 Single Ambig) &rst ixpk= 2706, nxpk= 10, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1533,1444, &end # # 103 GLU HG- 102 LYS HN 5.50 (# 2707:10 Unique 3.86, 5.01 A) &rst ixpk= 2707, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1540,1541, &end # # 103 GLU HG+ 102 LYS HN 5.50 (# 2708:10 Unique 3.86, 5.01 A) &rst ixpk= 2708, nxpk= 10, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1540,1541, &end # # 104 ASP HN 102 LYS HN 5.50 (# 2711:10 Unique 3.92, 4.24 A) &rst ixpk= 2711, nxpk= 10, iat=1548,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 ARG HN 52 GLU HN 4.50 (# 2713:10 Unique 3.63, 3.76 A) &rst ixpk= 2713, nxpk= 10, iat= 745, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2714 0 AMB 10-1:2714 3.50 (# 2714:10 Double Ambig) &rst ixpk= 2714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1185, 597, igr2=1166, 623, &end # # 81 ILE HG1+ 81 ILE HN 2.80 (# 2715:10 Unique 2.05, 2.88 A) &rst ixpk= 2715, nxpk= 10, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1176,1177, &end # # 109 ILE HA 108 VAL HN 5.50 (# 2717:10 Unique 4.55, 4.68 A) &rst ixpk= 2717, nxpk= 10, iat=1619,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2718 108 VAL HN 5.50 (# 2718:10 Single Ambig) &rst ixpk= 2718, nxpk= 10, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1621, 801, 802, &end # # 59 LEU HB- 109 ILE HN 4.50 (# 2719:10 Unique 4.20, 4.98 A) &rst ixpk= 2719, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 844, 845, &end # # 109 ILE QD1 109 ILE HN 3.50 (# 2720:10 Unique 2.24, 3.59 A) &rst ixpk= 2720, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1630,1631,1632, &end # # 0 AMB 10-2:2722 109 ILE HN 5.50 (# 2722:10 Single Ambig) &rst ixpk= 2722, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1593,1594,1590,1591,1132,1133, &end # # 111 LEU HN 110 PHE HN 4.50 (# 2725:10 Unique 4.29, 4.39 A) &rst ixpk= 2725, nxpk= 10, iat=1656,1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 10-2:2726 0 AMB 10-1:2726 5.50 (# 2726:10 Double Ambig) &rst ixpk= 2726, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1132,1133,1590,1591,1132,1133,1135,1136, igr2=1636,1617, &end # # 75 ILE QD1 110 PHE HN 4.50 (# 2727:10 Unique 4.25, 5.67 A) &rst ixpk= 2727, nxpk= 10, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1091,1092,1093, &end # # 60 ILE HG1- 109 ILE HN 4.50 (# 2728:10 Unique 3.85, 5.07 A) &rst ixpk= 2728, nxpk= 10, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 869, 870, &end # # 61 VAL HB 111 LEU HN 5.50 (# 2729:10 Unique 5.40, 5.54 A) &rst ixpk= 2729, nxpk= 10, iat= 882,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2730 111 LEU HN 5.50 (# 2730:10 Single Ambig) &rst ixpk= 2730, nxpk= 10, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1101, 828,1088,1089, &end # # 74 ARG HB+ 112 GLY HN 5.50 (# 2731:10 Unique 3.81, 4.40 A) &rst ixpk= 2731, nxpk= 10, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1058,1059, &end # # 62 ASP HN 113 ILE HN 5.50 (# 2732:10 Unique 4.06, 4.13 A) &rst ixpk= 2732, nxpk= 10, iat= 894,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 GLU HG- 114 GLN HN 5.50 (# 2733:10 Unique 5.22, 5.40 A) &rst ixpk= 2733, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1027,1028, &end # # 0 AMB 10-2:2735 114 GLN HN 4.50 (# 2735:10 Single Ambig) &rst ixpk= 2735, nxpk= 10, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 946, 947,1058,1059, &end # # 15 ASP HA 117 ILE HN 5.50 (# 2736:10 Unique 5.12, 5.31 A) &rst ixpk= 2736, nxpk= 10, iat= 203,1744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ASP HB+ 117 ILE HN 4.50 (# 2737:10 Unique 3.16, 3.79 A) &rst ixpk= 2737, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 205, 206, &end # # 0 AMB 10-2:2738 118 VAL HN 5.50 (# 2738:10 Single Ambig) &rst ixpk= 2738, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1725,1726,1722,1723, &end # # 115 PRO HB+ 118 VAL HN 5.50 (# 2739:10 Unique 3.31, 5.97 A) &rst ixpk= 2739, nxpk= 10, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1725,1726, &end # # 120 PHE HB- 122 TYR HN 5.50 (# 2740:10 Unique 4.86, 5.18 A) &rst ixpk= 2740, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1790,1791, &end # # 120 PHE HB+ 122 TYR HN 5.50 (# 2741:10 Unique 4.86, 5.18 A) &rst ixpk= 2741, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1790,1791, &end # # 12 MET HA 122 TYR HN 5.50 (# 2742:10 Unique 4.19, 5.20 A) &rst ixpk= 2742, nxpk= 10, iat= 162,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 LEU MDX 124 MET HN 5.50 (# 2744:10 Unique 6.00, 7.52 A) &rst ixpk= 2744, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 272, 273, 274, 276, 277, 278, &end # # 129 LYS HG- 124 MET HN 5.50 (# 2745:10 Unique 4.71, 5.25 A) &rst ixpk= 2745, nxpk= 10, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1950,1951, &end # # 125 THR HN 126 GLN HN 5.50 (# 2747:10 Unique 4.61, 4.67 A) &rst ixpk= 2747, nxpk= 10, iat=1879,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 PRO HB- 128 ILE HN 5.50 (# 2748:10 Unique 4.01, 4.70 A) &rst ixpk= 2748, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1006,1007, &end # # 126 GLN HN 128 ILE HN 5.50 (# 2749:10 Unique 4.39, 4.75 A) &rst ixpk= 2749, nxpk= 10, iat=1893,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 125 THR HN 129 LYS HN 5.50 (# 2750:10 Unique 4.42, 4.65 A) &rst ixpk= 2750, nxpk= 10, iat=1879,1943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 128 ILE HA 130 ASP HN 5.50 (# 2751:10 Unique 4.36, 4.43 A) &rst ixpk= 2751, nxpk= 10, iat=1926,1965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2753 131 ALA HN 5.50 (# 2753:10 Single Ambig) &rst ixpk= 2753, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1945,1911,1912, &end # # 133 GLU HB+ 131 ALA HN 5.50 (# 2754:10 Unique 4.72, 5.49 A) &rst ixpk= 2754, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2007,2008, &end # # 127 PRO HB+ 131 ALA HN 5.50 (# 2755:10 Unique 5.15, 5.54 A) &rst ixpk= 2755, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1917,1918, &end # # 0 AMB 10-2:2756 131 ALA HN 5.50 (# 2756:10 Single Ambig) &rst ixpk= 2756, nxpk= 10, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918,1950,1951, &end # # 0 AMB 10-2:2757 132 VAL HN 5.50 (# 2757:10 Single Ambig) &rst ixpk= 2757, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1686, 336, 337, &end # # 0 AMB 10-2:2759 22 LEU HN 5.50 (# 2759:10 Single Ambig) &rst ixpk= 2759, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 315, 316, 315, 316, &end # # 129 LYS HB+ 132 VAL HN 5.50 (# 2760:10 Unique 5.14, 5.43 A) &rst ixpk= 2760, nxpk= 10, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1947,1948, &end # # 0 AMB 10-2:2762 61 VAL HN 3.50 (# 2762:10 Single Ambig) &rst ixpk= 2762, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 884, 885, 886, 888, 889, 890, 872, 873, 874, 847, &end # # 60 ILE QG2 61 VAL HN 3.50 (# 2763:10 Unique 2.22, 3.20 A) &rst ixpk= 2763, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 865, 866, 867, &end # # 22 LEU HB- 0 AMB 10-1:2767 5.50 (# 2767:10 Single Ambig) &rst ixpk= 2767, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 286, 287, igr2=2032, 311, &end # # 25 LYS HG+ 24 GLU HN 5.50 (# 2768:10 Unique 4.32, 5.17 A) &rst ixpk= 2768, nxpk= 10, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 333, 334, &end # # 134 THR HB 136 TYR HN 5.50 (# 2769:10 Unique 5.09, 5.22 A) &rst ixpk= 2769, nxpk= 10, iat=2022,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 137 GLN HG- 136 TYR HN 5.50 (# 2770:10 Unique 4.30, 5.29 A) &rst ixpk= 2770, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2076,2077, &end # # 137 GLN HG+ 136 TYR HN 5.50 (# 2771:10 Unique 4.30, 5.29 A) &rst ixpk= 2771, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2076,2077, &end # # 25 LYS HD- 136 TYR HN 5.50 (# 2772:10 Unique 4.41, 4.97 A) &rst ixpk= 2772, nxpk= 10, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 336, 337, &end # # 0 AMB 10-2:2773 138 ARG HN 5.50 (# 2773:10 Single Ambig) &rst ixpk= 2773, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2112,2005, &end # # 0 AMB 10-2:2774 138 ARG HN 4.50 (# 2774:10 Single Ambig) &rst ixpk= 2774, nxpk= 10, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2050,2020, &end # # 135 VAL HA 138 ARG HN 3.50 (# 2775:10 Unique 3.28, 3.47 A) &rst ixpk= 2775, nxpk= 10, iat=2034,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 142 TRP HB+ 139 LEU HN 5.50 (# 2776:10 Unique 4.27, 4.72 A) &rst ixpk= 2776, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2155,2156, &end # # 140 GLU HB- 139 LEU HN 5.50 (# 2777:10 Unique 4.55, 5.86 A) &rst ixpk= 2777, nxpk= 10, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2133,2134, &end # # 0 AMB 10-2:2778 0 AMB 10-1:2778 4.50 (# 2778:10 Double Ambig) &rst ixpk= 2778, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2086,1195, igr2=2129,1154, &end # # 0 AMB 10-2:2779 74 ARG HN 4.50 (# 2779:10 Single Ambig) &rst ixpk= 2779, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1107,1108,2038,2039,2040,2042,2043,2044, &end # # 145 ASN HD2- 148 PHE HN 5.50 (# 2781:10 Unique 3.81, 5.22 A) &rst ixpk= 2781, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2206,2207, &end # # 145 ASN HD2+ 148 PHE HN 5.50 (# 2784:10 Unique 3.81, 5.22 A) &rst ixpk= 2784, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2206,2207, &end # # 0 AMB 10-2:2787 145 ASN HN 5.50 (# 2787:10 Single Ambig) &rst ixpk= 2787, nxpk= 10, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2220,2221,2155,2156, &end # # 143 GLU HB- 146 GLY HN 5.50 (# 2788:10 Unique 3.68, 4.94 A) &rst ixpk= 2788, nxpk= 10, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2179,2180, &end # # 145 ASN HB+ 148 PHE HN 4.50 (# 2790:10 Unique 2.85, 3.81 A) &rst ixpk= 2790, nxpk= 10, iat= -1,2225, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2201,2202, &end # # 75 ILE HG1- 150 GLN HN 5.50 (# 2793:10 Unique 4.78, 5.18 A) &rst ixpk= 2793, nxpk= 10, iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1088,1089, &end # # 66 MET HB- 68 LEU HN 3.50 (# 2796:10 Unique 2.76, 3.34 A) &rst ixpk= 2796, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 946, 947, &end # # 153 VAL HN 154 GLU HN 3.50 (# 2797:10 Unique 2.74, 3.27 A) &rst ixpk= 2797, nxpk= 10, iat=2301,2317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 10-2:2800 156 GLU HN 5.50 (# 2800:10 Single Ambig) &rst ixpk= 2800, nxpk= 10, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2324,2325,2324,2325,2339,2340,2339,2340, &end # # 67 GLY HN 114 GLN HE2- 3.50 (# 2801:10 Unique 2.10, 3.12 A) &rst ixpk= 2801, nxpk= 10, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1713,1714, &end # # 65 ASP HN 114 GLN HE2- 5.50 (# 2802:10 Unique 4.98, 5.44 A) &rst ixpk= 2802, nxpk= 10, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 0 AMB 10-2:2803 114 GLN HE2- 4.50 (# 2803:10 Single Ambig) &rst ixpk= 2803, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1722,1723,1725,1726, igr2=1713,1714, &end # # 65 ASP HB- 114 GLN HE2- 5.50 (# 2804:10 Unique 3.72, 4.63 A) &rst ixpk= 2804, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 934, 935, igr2=1713,1714, &end # # 114 GLN HG+ 114 GLN HE2- 3.50 (# 2805:10 Unique 2.23, 3.28 A) &rst ixpk= 2805, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1708,1709, igr2=1713,1714, &end # # 0 AMB 10-2:2806 50 ILE HN 3.50 (# 2806:10 Single Ambig) &rst ixpk= 2806, nxpk= 10, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676, &end # # 45 ASN HB- 45 ASN HD2+ 3.50 (# 2807:10 Unique 2.30, 3.44 A) &rst ixpk= 2807, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 601, 602, igr2= 606, 607, &end # # 80 ASP HB+ 150 GLN HE2- 4.50 (# 2810:10 Unique 3.54, 4.77 A) &rst ixpk= 2810, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1158,1159, igr2=2267,2268, &end # # 65 ASP HB- 114 GLN HE2+ 5.50 (# 2811:10 Unique 3.72, 4.63 A) &rst ixpk= 2811, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 934, 935, igr2=1713,1714, &end # # 64 THR HN 114 GLN HE2+ 5.50 (# 2813:10 Unique 5.97, 6.15 A) &rst ixpk= 2813, nxpk= 10, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1713,1714, &end # # 45 ASN HN 45 ASN HD2- 4.50 (# 2814:10 Unique 2.18, 3.45 A) &rst ixpk= 2814, nxpk= 10, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 606, 607, &end # # 45 ASN HB- 45 ASN HD2- 3.50 (# 2815:10 Unique 2.30, 3.44 A) &rst ixpk= 2815, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 601, 602, igr2= 606, 607, &end # # 75 ILE HB 150 GLN HE2+ 5.50 (# 2816:10 Unique 3.20, 4.30 A) &rst ixpk= 2816, nxpk= 10, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2267,2268, &end # # 131 ALA HN 126 GLN HE2+ 5.50 (# 2819:10 Unique 5.22, 5.98 A) &rst ixpk= 2819, nxpk= 10, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1905,1906, &end # # 12 MET HB+ 10 ASN HD2+ 5.50 (# 2820:10 Unique 5.22, 6.40 A) &rst ixpk= 2820, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 164, 165, igr2= 144, 145, &end # # 12 MET HB- 10 ASN HD2+ 5.50 (# 2821:10 Unique 5.22, 6.40 A) &rst ixpk= 2821, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 164, 165, igr2= 144, 145, &end # # 0 AMB 10-2:2822 100 GLN HE2- 4.50 (# 2822:10 Single Ambig) &rst ixpk= 2822, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1475,1492, igr2=1487,1488, &end # # 0 AMB 10-2:2824 117 ILE HN 4.50 (# 2824:10 Single Ambig) &rst ixpk= 2824, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1725,1726,1006,1007, &end # # 75 ILE HG1- 145 ASN HD2+ 5.50 (# 2825:10 Unique 2.51, 3.44 A) &rst ixpk= 2825, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1088,1089, igr2=2206,2207, &end # # 0 AMB 10-2:2826 117 ILE HN 4.50 (# 2826:10 Single Ambig) &rst ixpk= 2826, nxpk= 10, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1885,1886,1887,1934,1935, &end # # 0 AMB 10-2:2827 0 AMB 10-1:2827 4.50 (# 2827:10 Double Ambig) &rst ixpk= 2827, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1475,1492, igr2=1487,1488,1487,1488, &end # # 0 AMB 10-2:2828 0 AMB 10-1:2828 5.50 (# 2828:10 Double Ambig) &rst ixpk= 2828, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 627,1448, igr2=1487,1488,1487,1488, &end # # 0 AMB 10-2:2831 138 ARG HE 5.50 (# 2831:10 Single Ambig) &rst ixpk= 2831, nxpk= 10, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2227,2022, &end # # 57 ARG HN 57 ARG HE 5.50 (# 2834:10 Unique 4.16, 4.57 A) &rst ixpk= 2834, nxpk= 10, iat= 797, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 GLU HG- 45 ASN HD2- 5.50 (# 2837:10 Unique 2.89, 6.46 A) &rst ixpk= 2837, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 589, 590, igr2= 606, 607, &end # # 42 ALA HA 45 ASN HD2- 5.50 (# 2838:10 Unique 3.98, 5.35 A) &rst ixpk= 2838, nxpk= 10, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 606, 607, &end # # 0 AMB 10-2:2839 0 AMB 10-1:2839 2.80 (# 2839:10 Double Ambig) &rst ixpk= 2839, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2155,2156,2220,2221, igr2=2151,2225, &end # # 0 AMB 10-2:2840 0 AMB 10-1:2840 5.50 (# 2840:10 Double Ambig) &rst ixpk= 2840, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2197, 432,2255, igr2=2225,2151, &end # # 0 AMB 10-2:2841 22 LEU HN 4.50 (# 2841:10 Single Ambig) &rst ixpk= 2841, nxpk= 10, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 272, 273, 274, 276, 277, 278,2038,2039,2040,2042, 2043,2044, &end # # 0 AMB 10-2:2842 8 VAL HN 4.50 (# 2842:10 Single Ambig) &rst ixpk= 2842, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 865, 866, 867, 884, 885, 886, 888, 889, 890, &end # # 40 GLY HA+ 42 ALA HN 4.50 (# 2843:10 Unique 3.37, 3.96 A) &rst ixpk= 2843, nxpk= 10, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 542, 543, &end # # 128 ILE QG2 18 ALA HN 5.50 (# 2844:10 Unique 4.82, 5.37 A) &rst ixpk= 2844, nxpk= 10, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1930,1931,1932, &end # # 8 VAL MGX 61 VAL HN 4.50 (# 2845:10 Unique 3.06, 5.27 A) &rst ixpk= 2845, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 10-2:2846 61 VAL HN 4.50 (# 2846:10 Single Ambig) &rst ixpk= 2846, nxpk= 10, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95, 96, 97, 830, 831, 832, 834, 835, 836,2038,2039, 2040,2042,2043,2044, &end # # 0 AMB 10-2:2847 64 THR HN 5.50 (# 2847:10 Single Ambig) &rst ixpk= 2847, nxpk= 10, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1722,1723,1725,1726, &end # # 0 AMB 10-2:2848 21 LEU HN 3.50 (# 2848:10 Single Ambig) &rst ixpk= 2848, nxpk= 10, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, &end # # 47 ILE HG1- 47 ILE HN 2.80 (# 2849:10 Unique 2.23, 3.00 A) &rst ixpk= 2849, nxpk= 10, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 633, 634, &end # # 0 AMB 10-2:2850 0 AMB 10-1:2850 3.50 (# 2850:10 Double Ambig) &rst ixpk= 2850, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1158,1159, 615, 616, igr2=1166, 623, &end # # 103 GLU HN 105 ILE HN 4.50 (# 2851:10 Unique 3.90, 4.28 A) &rst ixpk= 2851, nxpk= 10, iat=1533,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 114 GLN HE2- 68 LEU HN 4.50 (# 2852:10 Unique 3.69, 4.12 A) &rst ixpk= 2852, nxpk= 10, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1713,1714, &end # # 31 LYS HG- 140 GLU HN 4.50 (# 2853:10 Unique 3.23, 4.62 A) &rst ixpk= 2853, nxpk= 10, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 410, 411, &end # # 68 LEU MDY 69 ASN HN 3.50 (# 2854:10 Unique 4.05, 4.98 A) &rst ixpk= 2854, nxpk= 10, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 975, 976, 977, 979, 980, 981, &end # # 68 LEU MDX 67 GLY HN 5.50 (# 2855:10 Unique 5.49, 6.62 A) &rst ixpk= 2855, nxpk= 10, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 975, 976, 977, 979, 980, 981, &end # # 143 GLU HN 146 GLY HN 5.50 (# 2856:10 Unique 2.32, 2.85 A) &rst ixpk= 2856, nxpk= 10, iat=2175,2211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 10-2:2857 51 ARG HN 4.50 (# 2857:10 Single Ambig) &rst ixpk= 2857, nxpk= 10, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 770, 771, 713, &end # # 0 AMB 10-2:2858 0 AMB 10-1:2858 5.50 (# 2858:10 Double Ambig) &rst ixpk= 2858, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 869, 870, 804, 805, 804, 805,1088,1089, 863, igr2= 82,2161, &end # # 88 THR MG2 88 THR HB 2.80 (# 0:20 Unique 2.39, 2.68 A) &rst ixpk= 0, nxpk= 20, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr1=1287,1288,1289, &end # # 55 PRO HA 2 THR HB 3.50 (# 1:20 Unique 1.99, 2.11 A) &rst ixpk= 1, nxpk= 20, iat= 779, 25, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 THR MG2 2 THR HB 2.80 (# 2:20 Unique 2.44, 2.68 A) &rst ixpk= 2, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 27, 28, 29, &end # # 0 AMB 20-2:3 75 ILE QD1 5.50 (# 3:20 Single Ambig) &rst ixpk= 3, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1675,2245, 859, igr2=1091,1092,1093, &end # # 76 ILE HN 75 ILE QD1 4.50 (# 4:20 Unique 3.86, 4.59 A) &rst ixpk= 4, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1091,1092,1093, &end # # 148 PHE HD 75 ILE QD1 4.50 (# 5:20 Unique 3.19, 5.20 A) &rst ixpk= 5, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2233,2241, igr2=1091,1092,1093, &end # # 142 TRP HZ2 75 ILE QD1 4.50 (# 6:20 Unique 2.99, 6.09 A) &rst ixpk= 6, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1091,1092,1093, &end # # 0 AMB 20-2:7 75 ILE QD1 2.80 (# 7:20 Single Ambig) &rst ixpk= 7, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1080,2199, igr2=1091,1092,1093, &end # # 145 ASN HB+ 75 ILE QD1 4.50 (# 8:20 Unique 2.48, 5.24 A) &rst ixpk= 8, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2201,2202, igr2=1091,1092,1093, &end # # 0 AMB 20-2:9 75 ILE QD1 4.50 (# 9:20 Single Ambig) &rst ixpk= 9, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2229,2230,2201,2202, igr2=1091,1092,1093, &end # # 148 PHE HB- 75 ILE QD1 4.50 (# 10:20 Unique 2.18, 3.39 A) &rst ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2229,2230, igr2=1091,1092,1093, &end # # 0 AMB 20-2:11 75 ILE QD1 3.50 (# 11:20 Single Ambig) &rst ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1660,1661,1082, igr2=1091,1092,1093, &end # # 75 ILE HG1+ 75 ILE QD1 2.80 (# 12:20 Unique 2.34, 2.67 A) &rst ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1088,1089, igr2=1091,1092,1093, &end # # 111 LEU MDX 75 ILE QD1 2.80 (# 13:20 Unique 2.21, 4.93 A) &rst ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1665,1666,1667,1669,1670,1671, igr2=1091,1092,1093, &end # # 56 THR HN 56 THR HB 4.50 (# 14:20 Unique 2.05, 2.18 A) &rst ixpk= 14, nxpk= 20, iat= 783, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ARG HN 56 THR HB 4.50 (# 15:20 Unique 2.40, 2.50 A) &rst ixpk= 15, nxpk= 20, iat= 797, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 THR HA 56 THR HB 3.50 (# 16:20 Unique 2.95, 2.96 A) &rst ixpk= 16, nxpk= 20, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 THR MG2 56 THR HB 2.80 (# 17:20 Unique 2.24, 2.61 A) &rst ixpk= 17, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 789, 790, 791, &end # # 89 THR MG2 89 THR HB 2.80 (# 18:20 Unique 2.34, 2.65 A) &rst ixpk= 18, nxpk= 20, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1301,1302,1303, &end # # 134 THR HN 134 THR HB 4.50 (# 21:20 Unique 2.17, 2.22 A) &rst ixpk= 21, nxpk= 20, iat=2018,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 VAL HN 134 THR HB 5.50 (# 22:20 Unique 2.76, 2.94 A) &rst ixpk= 22, nxpk= 20, iat=2032,2022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA HA 134 THR HB 4.50 (# 23:20 Unique 2.11, 2.18 A) &rst ixpk= 23, nxpk= 20, iat=1979,2022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 134 THR MG2 134 THR HB 3.50 (# 24:20 Unique 2.31, 2.59 A) &rst ixpk= 24, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2024,2025,2026, &end # # 0 AMB 20-2:25 134 THR HB 3.50 (# 25:20 Single Ambig) &rst ixpk= 25, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044, &end # # 135 VAL HN 135 VAL HA 3.50 (# 26:20 Unique 2.86, 2.88 A) &rst ixpk= 26, nxpk= 20, iat=2032,2034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:29 135 VAL HA 3.50 (# 29:20 Single Ambig) &rst ixpk= 29, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=2036,2090,2091,2090,2091, &end # # 135 VAL MGY 135 VAL HA 2.80 (# 30:20 Unique 2.49, 3.31 A) &rst ixpk= 30, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2038,2039,2040,2042,2043,2044, &end # # 132 VAL HN 132 VAL HA 4.50 (# 31:20 Unique 2.86, 2.87 A) &rst ixpk= 31, nxpk= 20, iat=1987,1989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:32 132 VAL HA 3.50 (# 32:20 Single Ambig) &rst ixpk= 32, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2036,1991, &end # # 132 VAL MGY 132 VAL HA 2.80 (# 33:20 Unique 2.40, 3.12 A) &rst ixpk= 33, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:34 132 VAL HA 2.80 (# 34:20 Single Ambig) &rst ixpk= 34, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 20-2:35 132 VAL HA 3.50 (# 35:20 Single Ambig) &rst ixpk= 35, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1695,1696,1697,1045,1046, &end # # 0 AMB 20-2:36 134 THR HA 3.50 (# 36:20 Single Ambig) &rst ixpk= 36, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2081,2082,2018,2069, &end # # 134 THR MG2 134 THR HA 3.50 (# 37:20 Unique 2.63, 3.41 A) &rst ixpk= 37, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=2024,2025,2026, &end # # 48 VAL HN 48 VAL HA 3.50 (# 39:20 Unique 2.85, 2.87 A) &rst ixpk= 39, nxpk= 20, iat= 642, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:40 48 VAL HA 3.50 (# 40:20 Single Ambig) &rst ixpk= 40, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 646, 715, 716, 715, 716, &end # # 48 VAL MGY 48 VAL HA 2.80 (# 41:20 Unique 2.49, 3.18 A) &rst ixpk= 41, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 648, 649, 650, 652, 653, 654, &end # # 47 ILE HN 47 ILE HA 3.50 (# 42:20 Unique 2.78, 2.79 A) &rst ixpk= 42, nxpk= 20, iat= 623, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:43 0 AMB 20-1:43 2.80 (# 43:20 Double Ambig) &rst ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 733, 672, 627, 773, 774, igr2= 670, 625, &end # # 127 PRO HG+ 127 PRO HA 4.50 (# 44:20 Unique 2.96, 3.89 A) &rst ixpk= 44, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1914,1915, &end # # 127 PRO HG- 127 PRO HA 4.50 (# 45:20 Unique 2.96, 3.89 A) &rst ixpk= 45, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1914,1915, &end # # 50 ILE HN 0 AMB 20-1:46 3.50 (# 46:20 Single Ambig) &rst ixpk= 46, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 670, 625, &end # # 101 LEU MDY 47 ILE HA 2.80 (# 47:20 Unique 2.12, 3.80 A) &rst ixpk= 47, nxpk= 20, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1501,1502,1503,1505,1506,1507, &end # # 98 ILE HN 98 ILE HA 4.50 (# 48:20 Unique 2.76, 2.81 A) &rst ixpk= 48, nxpk= 20, iat=1444,1446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:49 98 ILE HA 3.50 (# 49:20 Single Ambig) &rst ixpk= 49, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1448,1515,1516, &end # # 98 ILE HG1- 98 ILE HA 3.50 (# 50:20 Unique 2.30, 2.59 A) &rst ixpk= 50, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1454,1455, &end # # 0 AMB 20-2:51 98 ILE HA 2.80 (# 51:20 Single Ambig) &rst ixpk= 51, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1501,1502,1503,1505,1506,1507,1454,1455,1450,1451, 1452,1607,1608,1609,1611,1612,1613,1607,1608,1609, 1611,1612,1613, &end # # 0 AMB 20-2:52 98 ILE HA 2.80 (# 52:20 Single Ambig) &rst ixpk= 52, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1501,1502,1503,1505,1506,1507,1434,1435,1436,1438, 1439,1440, &end # # 0 AMB 20-2:53 127 PRO HA 3.50 (# 53:20 Single Ambig) &rst ixpk= 53, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1969,1970,1969,1970, &end # # 127 PRO HB+ 127 PRO HA 2.80 (# 54:20 Unique 2.25, 2.54 A) &rst ixpk= 54, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1917,1918, &end # # 127 PRO HB- 127 PRO HA 3.50 (# 55:20 Unique 2.25, 2.54 A) &rst ixpk= 55, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1917,1918, &end # # 0 AMB 20-2:56 20 PRO HA 4.50 (# 56:20 Single Ambig) &rst ixpk= 56, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 301, 263, 282, &end # # 20 PRO HB+ 20 PRO HA 3.50 (# 57:20 Unique 2.35, 2.70 A) &rst ixpk= 57, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 256, 257, &end # # 20 PRO HG+ 20 PRO HA 4.50 (# 58:20 Unique 2.72, 3.30 A) &rst ixpk= 58, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 253, 254, &end # # 20 PRO HB- 20 PRO HA 3.50 (# 59:20 Unique 2.35, 2.70 A) &rst ixpk= 59, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 256, 257, &end # # 23 ALA MB 20 PRO HA 3.50 (# 60:20 Unique 2.34, 3.22 A) &rst ixpk= 60, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 305, 306, 307, &end # # 128 ILE HN 128 ILE HA 5.50 (# 61:20 Unique 2.79, 2.83 A) &rst ixpk= 61, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:62 128 ILE HA 4.50 (# 62:20 Single Ambig) &rst ixpk= 62, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1928,1914,1915, &end # # 0 AMB 20-2:63 128 ILE HA 2.80 (# 63:20 Single Ambig) &rst ixpk= 63, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=1981,1982,1983,1934,1935, &end # # 128 ILE QG2 128 ILE HA 2.80 (# 64:20 Unique 2.59, 3.24 A) &rst ixpk= 64, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1930,1931,1932, &end # # 113 ILE QG2 128 ILE HA 4.50 (# 65:20 Unique 2.92, 3.42 A) &rst ixpk= 65, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1688,1689,1690, &end # # 0 AMB 20-2:66 78 PRO HA 2.80 (# 66:20 Single Ambig) &rst ixpk= 66, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1135,1136,1132,1133, &end # # 78 PRO HG- 78 PRO HA 4.50 (# 67:20 Unique 2.57, 3.67 A) &rst ixpk= 67, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1132,1133, &end # # 81 ILE HG1- 78 PRO HA 4.50 (# 68:20 Unique 2.48, 3.62 A) &rst ixpk= 68, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 0 AMB 20-2:69 78 PRO HA 4.50 (# 69:20 Single Ambig) &rst ixpk= 69, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1176,1177,1450,1451,1452, &end # # 81 ILE QG2 78 PRO HA 3.50 (# 70:20 Unique 3.37, 4.32 A) &rst ixpk= 70, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1172,1173,1174, &end # # 81 ILE QD1 78 PRO HA 3.50 (# 71:20 Unique 2.05, 3.09 A) &rst ixpk= 71, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1179,1180,1181, &end # # 46 ASP HN 43 PRO HA 4.50 (# 74:20 Unique 3.28, 3.46 A) &rst ixpk= 74, nxpk= 20, iat= 611, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:75 43 PRO HA 3.50 (# 75:20 Single Ambig) &rst ixpk= 75, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 535, 536, 569, 570, &end # # 0 AMB 20-2:76 43 PRO HA 2.80 (# 76:20 Single Ambig) &rst ixpk= 76, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 575, 576, 575, 576, &end # # 0 AMB 20-2:77 43 PRO HA 3.50 (# 77:20 Single Ambig) &rst ixpk= 77, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438, 1439,1440, 681, 682, 683, &end # # 71 GLY HN 70 PRO HA 3.50 (# 78:20 Unique 2.17, 2.20 A) &rst ixpk= 78, nxpk= 20, iat=1013,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:79 70 PRO HA 2.80 (# 79:20 Single Ambig) &rst ixpk= 79, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1006,1007,1708,1709, &end # # 128 ILE QD1 70 PRO HA 4.50 (# 80:20 Unique 2.72, 3.65 A) &rst ixpk= 80, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1937,1938,1939, &end # # 30 PRO HB+ 30 PRO HA 3.50 (# 83:20 Unique 2.26, 2.52 A) &rst ixpk= 83, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 396, 397, &end # # 30 PRO HG+ 30 PRO HA 4.50 (# 84:20 Unique 2.93, 3.93 A) &rst ixpk= 84, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 393, 394, &end # # 94 LEU HN 93 PRO HA 2.80 (# 85:20 Unique 2.35, 2.56 A) &rst ixpk= 85, nxpk= 20, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 93 PRO HB+ 93 PRO HA 2.80 (# 86:20 Unique 2.30, 2.54 A) &rst ixpk= 86, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1364,1365, &end # # 41 SER HA 41 SER HB+ 3.50 (# 87:20 Unique 2.17, 2.47 A) &rst ixpk= 87, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 551, 552, &end # # 41 SER HA 41 SER HB- 3.50 (# 89:20 Unique 2.17, 2.47 A) &rst ixpk= 89, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 551, 552, &end # # 70 PRO HB- 70 PRO HA 4.50 (# 91:20 Unique 2.23, 2.53 A) &rst ixpk= 91, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1006,1007, &end # # 0 AMB 20-2:92 26 CYS HA 4.50 (# 92:20 Single Ambig) &rst ixpk= 92, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 348, 359, &end # # 26 CYS HB- 26 CYS HA 3.50 (# 94:20 Unique 2.44, 2.78 A) &rst ixpk= 94, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 352, 353, &end # # 26 CYS HB+ 26 CYS HA 4.50 (# 95:20 Unique 2.44, 2.78 A) &rst ixpk= 95, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 352, 353, &end # # 56 THR MG2 56 THR HA 2.80 (# 96:20 Unique 2.45, 3.22 A) &rst ixpk= 96, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 789, 790, 791, &end # # 56 THR HN 55 PRO HA 2.80 (# 97:20 Unique 2.12, 2.23 A) &rst ixpk= 97, nxpk= 20, iat= 783, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 57 ARG HN 55 PRO HA 5.50 (# 98:20 Unique 3.57, 3.71 A) &rst ixpk= 98, nxpk= 20, iat= 797, 779, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:99 55 PRO HA 2.80 (# 99:20 Single Ambig) &rst ixpk= 99, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 776, 777, 773, 774, &end # # 2 THR MG2 55 PRO HA 4.50 (# 100:20 Unique 2.87, 3.96 A) &rst ixpk= 100, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 27, 28, 29, &end # # 0 AMB 20-2:101 55 PRO HA 4.50 (# 101:20 Single Ambig) &rst ixpk= 101, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 53, 54, 55, 57, 58, 59,1570,1571, &end # # 36 VAL HN 35 VAL HA 2.80 (# 102:20 Unique 2.11, 2.14 A) &rst ixpk= 102, nxpk= 20, iat= 486, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 35 VAL HB 35 VAL HA 4.50 (# 103:20 Unique 3.02, 3.04 A) &rst ixpk= 103, nxpk= 20, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 VAL MGX 35 VAL HA 2.80 (# 104:20 Unique 2.39, 3.14 A) &rst ixpk= 104, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 476, 477, 478, 480, 481, 482, &end # # 35 VAL MGY 35 VAL HA 2.80 (# 105:20 Unique 2.39, 3.14 A) &rst ixpk= 105, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 476, 477, 478, 480, 481, 482, &end # # 11 SER HN 11 SER HB- 4.50 (# 106:20 Unique 2.79, 3.11 A) &rst ixpk= 106, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 153, 154, &end # # 20 PRO HB- 11 SER HB- 5.50 (# 107:20 Unique 2.77, 3.69 A) &rst ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 153, 154, &end # # 0 AMB 20-2:108 81 ILE HA 4.50 (# 108:20 Single Ambig) &rst ixpk= 108, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1227,1185, &end # # 81 ILE HN 81 ILE HA 4.50 (# 109:20 Unique 2.77, 2.84 A) &rst ixpk= 109, nxpk= 20, iat=1166,1168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HB 81 ILE HA 3.50 (# 110:20 Unique 3.02, 3.04 A) &rst ixpk= 110, nxpk= 20, iat=1170,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HG1+ 81 ILE HA 4.50 (# 111:20 Unique 2.35, 2.65 A) &rst ixpk= 111, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 81 ILE QG2 81 ILE HA 3.50 (# 112:20 Unique 2.85, 3.38 A) &rst ixpk= 112, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1172,1173,1174, &end # # 81 ILE QD1 81 ILE HA 4.50 (# 113:20 Unique 4.39, 4.61 A) &rst ixpk= 113, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1179,1180,1181, &end # # 89 THR MG2 89 THR HA 2.80 (# 114:20 Unique 2.39, 3.08 A) &rst ixpk= 114, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1301,1302,1303, &end # # 154 GLU HN 153 VAL HA 3.50 (# 115:20 Unique 2.44, 2.58 A) &rst ixpk= 115, nxpk= 20, iat=2317,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 153 VAL HN 153 VAL HA 3.50 (# 116:20 Unique 2.21, 2.61 A) &rst ixpk= 116, nxpk= 20, iat=2301,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 153 VAL HB 153 VAL HA 3.50 (# 117:20 Unique 2.35, 2.75 A) &rst ixpk= 117, nxpk= 20, iat=2305,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:118 153 VAL HA 2.80 (# 118:20 Single Ambig) &rst ixpk= 118, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 0 AMB 20-2:119 2 THR HA 2.80 (# 119:20 Single Ambig) &rst ixpk= 119, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 35, 21, &end # # 2 THR MG2 2 THR HA 3.50 (# 120:20 Unique 2.38, 3.03 A) &rst ixpk= 120, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 27, 28, 29, &end # # 116 ASP HN 115 PRO HA 3.50 (# 121:20 Unique 2.33, 2.40 A) &rst ixpk= 121, nxpk= 20, iat=1732,1728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ASP HB+ 115 PRO HA 4.50 (# 122:20 Unique 2.51, 2.97 A) &rst ixpk= 122, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 205, 206, &end # # 0 AMB 20-2:123 115 PRO HA 3.50 (# 123:20 Single Ambig) &rst ixpk= 123, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1725,1726,1722,1723, &end # # 128 ILE HG1- 115 PRO HA 3.50 (# 124:20 Unique 2.06, 2.59 A) &rst ixpk= 124, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1934,1935, &end # # 128 ILE QD1 115 PRO HA 2.80 (# 125:20 Unique 2.49, 3.51 A) &rst ixpk= 125, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1937,1938,1939, &end # # 124 MET HN 123 PRO HA 2.80 (# 126:20 Unique 2.23, 2.33 A) &rst ixpk= 126, nxpk= 20, iat=1862,1858, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 123 PRO HB+ 123 PRO HA 2.80 (# 127:20 Unique 2.32, 2.52 A) &rst ixpk= 127, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1855,1856, &end # # 123 PRO HG- 123 PRO HA 3.50 (# 128:20 Unique 3.84, 3.99 A) &rst ixpk= 128, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1852,1853, &end # # 123 PRO HB- 123 PRO HA 3.50 (# 129:20 Unique 2.32, 2.52 A) &rst ixpk= 129, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1855,1856, &end # # 125 THR MG2 125 THR HA 2.80 (# 130:20 Unique 2.39, 3.05 A) &rst ixpk= 130, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1885,1886,1887, &end # # 126 GLN HN 125 THR HA 2.80 (# 131:20 Unique 2.21, 2.32 A) &rst ixpk= 131, nxpk= 20, iat=1893,1881, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 88 THR MG2 88 THR HA 3.50 (# 132:20 Unique 2.46, 3.26 A) &rst ixpk= 132, nxpk= 20, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1287,1288,1289, &end # # 118 VAL HN 118 VAL HA 4.50 (# 133:20 Unique 2.71, 2.92 A) &rst ixpk= 133, nxpk= 20, iat=1763,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 119 GLY HN 118 VAL HA 2.80 (# 134:20 Unique 2.11, 2.17 A) &rst ixpk= 134, nxpk= 20, iat=1779,1765, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 118 VAL HB 118 VAL HA 3.50 (# 135:20 Unique 2.55, 3.02 A) &rst ixpk= 135, nxpk= 20, iat=1767,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 118 VAL MGX 118 VAL HA 2.80 (# 136:20 Unique 2.35, 3.20 A) &rst ixpk= 136, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1769,1770,1771,1773,1774,1775, &end # # 65 ASP HN 64 THR HA 2.80 (# 137:20 Unique 2.22, 2.25 A) &rst ixpk= 137, nxpk= 20, iat= 930, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 64 THR HN 64 THR HA 4.50 (# 138:20 Unique 2.93, 2.95 A) &rst ixpk= 138, nxpk= 20, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:139 64 THR HA 4.50 (# 139:20 Single Ambig) &rst ixpk= 139, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 920,1719,1720, &end # # 64 THR MG2 64 THR HA 2.80 (# 140:20 Unique 2.25, 2.95 A) &rst ixpk= 140, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 922, 923, 924, &end # # 132 VAL HB 129 LYS HA 4.50 (# 141:20 Unique 2.82, 2.91 A) &rst ixpk= 141, nxpk= 20, iat=1991,1945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:142 129 LYS HA 3.50 (# 142:20 Single Ambig) &rst ixpk= 142, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1943,2003, &end # # 129 LYS HB- 129 LYS HA 2.80 (# 143:20 Unique 2.44, 2.82 A) &rst ixpk= 143, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1947,1948, &end # # 129 LYS HG+ 129 LYS HA 3.50 (# 144:20 Unique 2.34, 2.76 A) &rst ixpk= 144, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1950,1951, &end # # 0 AMB 20-2:145 129 LYS HA 3.50 (# 145:20 Single Ambig) &rst ixpk= 145, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1930,1931,1932,1993,1994,1995,1997,1998,1999, &end # # 21 LEU MDX 129 LYS HA 3.50 (# 146:20 Unique 2.35, 4.12 A) &rst ixpk= 146, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 272, 273, 274, 276, 277, 278, &end # # 5 LEU HN 4 VAL HA 2.80 (# 149:20 Unique 2.13, 2.21 A) &rst ixpk= 149, nxpk= 20, iat= 63, 49, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:151 4 VAL HA 2.80 (# 151:20 Single Ambig) &rst ixpk= 151, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1= 53, 54, 55, 57, 58, 59, 476, 477, 478, 480, 481, 482, 67, 68, &end # # 9 GLY HN 8 VAL HA 2.80 (# 152:20 Unique 2.25, 2.29 A) &rst ixpk= 152, nxpk= 20, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 VAL HB 8 VAL HA 3.50 (# 153:20 Unique 3.03, 3.05 A) &rst ixpk= 153, nxpk= 20, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 VAL MGY 8 VAL HA 2.80 (# 154:20 Unique 2.44, 3.19 A) &rst ixpk= 154, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGX 8 VAL HA 3.50 (# 155:20 Unique 2.44, 3.19 A) &rst ixpk= 155, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 118, 119, 120, 122, 123, 124, &end # # 151 LEU HB+ 76 ILE HA 3.50 (# 156:20 Unique 2.96, 3.66 A) &rst ixpk= 156, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2276,2277, &end # # 106 GLY HN 105 ILE HA 2.80 (# 157:20 Unique 2.19, 2.26 A) &rst ixpk= 157, nxpk= 20, iat=1579,1562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:158 105 ILE HA 3.50 (# 158:20 Single Ambig) &rst ixpk= 158, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1560,1586, &end # # 0 AMB 20-2:159 105 ILE HA 4.50 (# 159:20 Single Ambig) &rst ixpk= 159, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1581,1582, 747, &end # # 105 ILE HG1- 105 ILE HA 3.50 (# 160:20 Unique 2.43, 2.78 A) &rst ixpk= 160, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1570,1571, &end # # 105 ILE HG1+ 105 ILE HA 3.50 (# 161:20 Unique 2.43, 2.78 A) &rst ixpk= 161, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1570,1571, &end # # 105 ILE QG2 105 ILE HA 2.80 (# 162:20 Unique 2.56, 3.21 A) &rst ixpk= 162, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1566,1567,1568, &end # # 11 SER HN 11 SER HA 4.50 (# 163:20 Unique 2.63, 2.65 A) &rst ixpk= 163, nxpk= 20, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:164 11 SER HA 4.50 (# 164:20 Single Ambig) &rst ixpk= 164, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 160, 225, &end # # 11 SER HB- 11 SER HA 2.80 (# 165:20 Unique 2.31, 2.68 A) &rst ixpk= 165, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 153, 154, &end # # 0 AMB 20-2:166 11 SER HA 2.80 (# 166:20 Single Ambig) &rst ixpk= 166, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 227, 228, 227, 228, &end # # 136 TYR HN 136 TYR HA 4.50 (# 167:20 Unique 2.76, 2.79 A) &rst ixpk= 167, nxpk= 20, iat=2048,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 TYR HB+ 136 TYR HA 3.50 (# 169:20 Unique 2.22, 2.68 A) &rst ixpk= 169, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2052,2053, &end # # 136 TYR HB- 136 TYR HA 3.50 (# 170:20 Unique 2.22, 2.68 A) &rst ixpk= 170, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2052,2053, &end # # 139 LEU HG 136 TYR HA 4.50 (# 171:20 Unique 2.45, 3.39 A) &rst ixpk= 171, nxpk= 20, iat=2117,2050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 LEU MDY 136 TYR HA 3.50 (# 172:20 Unique 2.35, 4.27 A) &rst ixpk= 172, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:173 136 TYR HA 4.50 (# 173:20 Single Ambig) &rst ixpk= 173, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 291, 292, 293, 295, 296, 297, 410, 411,2038,2039, 2040,2042,2043,2044, &end # # 139 LEU MDX 136 TYR HA 2.80 (# 174:20 Unique 2.18, 4.40 A) &rst ixpk= 174, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:175 109 ILE HA 2.80 (# 175:20 Single Ambig) &rst ixpk= 175, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1636,1617, &end # # 109 ILE HB 109 ILE HA 4.50 (# 176:20 Unique 3.02, 3.04 A) &rst ixpk= 176, nxpk= 20, iat=1621,1619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 ILE HG1+ 109 ILE HA 3.50 (# 177:20 Unique 2.35, 3.17 A) &rst ixpk= 177, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1627,1628, &end # # 0 AMB 20-2:178 109 ILE HA 2.80 (# 178:20 Single Ambig) &rst ixpk= 178, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1623,1624,1625,1084,1085,1086, &end # # 96 TYR HN 96 TYR HA 3.50 (# 179:20 Unique 2.78, 2.83 A) &rst ixpk= 179, nxpk= 20, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 96 TYR HD 96 TYR HA 4.50 (# 180:20 Unique 3.31, 4.10 A) &rst ixpk= 180, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1412,1421, &end # # 0 AMB 20-2:181 96 TYR HA 2.80 (# 181:20 Single Ambig) &rst ixpk= 181, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1408,1409,1408,1409, &end # # 99 ASP HB+ 96 TYR HA 3.50 (# 182:20 Unique 2.42, 3.34 A) &rst ixpk= 182, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1467,1468, &end # # 99 ASP HB- 96 TYR HA 4.50 (# 183:20 Unique 2.42, 3.34 A) &rst ixpk= 183, nxpk= 20, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1467,1468, &end # # 77 ASP HN 76 ILE HA 2.80 (# 184:20 Unique 2.12, 2.23 A) &rst ixpk= 184, nxpk= 20, iat=1116,1099, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:185 76 ILE HA 3.50 (# 185:20 Single Ambig) &rst ixpk= 185, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1107,1108,1101, &end # # 118 VAL HN 117 ILE HA 3.50 (# 186:20 Unique 2.19, 2.28 A) &rst ixpk= 186, nxpk= 20, iat=1763,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 117 ILE HN 117 ILE HA 4.50 (# 187:20 Unique 2.94, 2.95 A) &rst ixpk= 187, nxpk= 20, iat=1744,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE HB 117 ILE HA 3.50 (# 188:20 Unique 2.21, 2.27 A) &rst ixpk= 188, nxpk= 20, iat=1748,1746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:189 117 ILE HA 3.50 (# 189:20 Single Ambig) &rst ixpk= 189, nxpk= 20, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1754,1755,1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:190 0 AMB 20-1:190 4.50 (# 190:20 Double Ambig) &rst ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1769,1770,1771,1773,1774,1775, 53, 54, 55, 57, 58, 59, 735, 736, 737, 739, 740, 741, igr2=1746, 504, &end # # 51 ARG HN 51 ARG HA 4.50 (# 191:20 Unique 2.83, 2.85 A) &rst ixpk= 191, nxpk= 20, iat= 687, 689, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:192 51 ARG HA 3.50 (# 192:20 Single Ambig) &rst ixpk= 192, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1501,1502,1503,1505,1506,1507, 674, 675, 676, &end # # 0 AMB 20-2:194 51 ARG HA 2.80 (# 194:20 Single Ambig) &rst ixpk= 194, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 691, 692, 691, 692, &end # # 51 ARG HG+ 51 ARG HA 2.80 (# 195:20 Unique 2.41, 2.73 A) &rst ixpk= 195, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 694, 695, &end # # 37 ILE HG1+ 37 ILE HA 4.50 (# 200:20 Unique 2.26, 2.72 A) &rst ixpk= 200, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 512, 513, &end # # 0 AMB 20-2:201 37 ILE HA 2.80 (# 201:20 Single Ambig) &rst ixpk= 201, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 508, 509, 510, 515, 516, 517, &end # # 38 ASP HN 37 ILE HA 2.80 (# 202:20 Unique 2.31, 2.35 A) &rst ixpk= 202, nxpk= 20, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 24 GLU HG+ 24 GLU HA 4.50 (# 203:20 Unique 2.59, 3.15 A) &rst ixpk= 203, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 318, 319, &end # # 27 ALA MB 24 GLU HA 3.50 (# 204:20 Unique 2.59, 3.44 A) &rst ixpk= 204, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 363, 364, 365, &end # # 143 GLU HN 142 TRP HA 3.50 (# 205:20 Unique 2.14, 2.41 A) &rst ixpk= 205, nxpk= 20, iat=2175,2153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 142 TRP HN 142 TRP HA 4.50 (# 206:20 Unique 2.65, 2.84 A) &rst ixpk= 206, nxpk= 20, iat=2151,2153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 142 TRP HB- 142 TRP HA 4.50 (# 207:20 Unique 2.16, 2.59 A) &rst ixpk= 207, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 126 GLN HN 126 GLN HA 4.50 (# 208:20 Unique 2.72, 2.76 A) &rst ixpk= 208, nxpk= 20, iat=1893,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:209 126 GLN HA 3.50 (# 209:20 Single Ambig) &rst ixpk= 209, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1900,1901,1900,1901, &end # # 0 AMB 20-2:210 126 GLN HA 2.80 (# 210:20 Single Ambig) &rst ixpk= 210, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1897,1898,1897,1898, &end # # 0 AMB 20-2:211 25 LYS HA 4.50 (# 211:20 Single Ambig) &rst ixpk= 211, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 348, 359, &end # # 0 AMB 20-2:212 25 LYS HA 2.80 (# 212:20 Single Ambig) &rst ixpk= 212, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 330, 331, 333, 334, 373, 374, 375, &end # # 25 LYS HG+ 25 LYS HA 3.50 (# 213:20 Unique 2.57, 2.87 A) &rst ixpk= 213, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 333, 334, &end # # 25 LYS HB+ 25 LYS HA 3.50 (# 214:20 Unique 2.43, 2.75 A) &rst ixpk= 214, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 330, 331, &end # # 25 LYS HN 25 LYS HA 4.50 (# 215:20 Unique 2.87, 2.88 A) &rst ixpk= 215, nxpk= 20, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 VAL HN 60 ILE HA 3.50 (# 216:20 Unique 2.29, 2.39 A) &rst ixpk= 216, nxpk= 20, iat= 878, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:217 60 ILE HA 3.50 (# 217:20 Single Ambig) &rst ixpk= 217, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 869, 870, 863, &end # # 0 AMB 20-2:218 60 ILE HA 3.50 (# 218:20 Single Ambig) &rst ixpk= 218, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 869, 870, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:219 60 ILE HA 2.80 (# 219:20 Single Ambig) &rst ixpk= 219, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 865, 866, 867, 847, &end # # 120 PHE HB- 120 PHE HA 4.50 (# 220:20 Unique 2.39, 2.71 A) &rst ixpk= 220, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1790,1791, &end # # 0 AMB 20-2:221 113 ILE HA 3.50 (# 221:20 Single Ambig) &rst ixpk= 221, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1701,1054, &end # # 66 MET ME 113 ILE HA 4.50 (# 222:20 Unique 2.68, 3.82 A) &rst ixpk= 222, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 953, 954, 955, &end # # 113 ILE HG1- 113 ILE HA 4.50 (# 223:20 Unique 2.55, 2.71 A) &rst ixpk= 223, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1692,1693, &end # # 113 ILE QG2 113 ILE HA 2.80 (# 224:20 Unique 2.61, 3.24 A) &rst ixpk= 224, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1688,1689,1690, &end # # 136 TYR HB- 133 GLU HA 4.50 (# 225:20 Unique 2.17, 3.00 A) &rst ixpk= 225, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2052,2053, &end # # 0 AMB 20-2:226 133 GLU HA 3.50 (# 226:20 Single Ambig) &rst ixpk= 226, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2010,2011, 339, 340, 339, 340, &end # # 121 TYR HN 121 TYR HA 3.50 (# 227:20 Unique 2.16, 2.22 A) &rst ixpk= 227, nxpk= 20, iat=1806,1808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 121 TYR HB+ 121 TYR HA 3.50 (# 228:20 Unique 2.35, 2.71 A) &rst ixpk= 228, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1810,1811, &end # # 121 TYR HB- 121 TYR HA 3.50 (# 229:20 Unique 2.35, 2.71 A) &rst ixpk= 229, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1810,1811, &end # # 121 TYR HD 121 TYR HA 4.50 (# 230:20 Unique 2.54, 3.62 A) &rst ixpk= 230, nxpk= 20, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1814,1823, &end # # 0 AMB 20-2:231 0 AMB 20-1:231 3.50 (# 231:20 Double Ambig) &rst ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1533, 597, igr2=1513, 584, &end # # 105 ILE HB 102 LYS HA 3.50 (# 232:20 Unique 2.76, 3.14 A) &rst ixpk= 232, nxpk= 20, iat=1564,1513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:233 0 AMB 20-1:233 2.80 (# 233:20 Double Ambig) &rst ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 636, 637, 638, igr2=1513, 584, &end # # 0 AMB 20-2:234 24 GLU HA 2.80 (# 234:20 Single Ambig) &rst ixpk= 234, nxpk= 20, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 315, 316, 315, 316, &end # # 8 VAL HN 7 CYS HA 3.50 (# 235:20 Unique 2.19, 2.26 A) &rst ixpk= 235, nxpk= 20, iat= 112, 103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HB- 133 GLU HA 2.80 (# 236:20 Unique 2.45, 2.77 A) &rst ixpk= 236, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2007,2008, &end # # 133 GLU HN 133 GLU HA 4.50 (# 237:20 Unique 2.82, 2.83 A) &rst ixpk= 237, nxpk= 20, iat=2003,2005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 TYR HB+ 133 GLU HA 4.50 (# 238:20 Unique 2.17, 3.00 A) &rst ixpk= 238, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2052,2053, &end # # 44 GLU HN 44 GLU HA 4.50 (# 239:20 Unique 2.82, 2.85 A) &rst ixpk= 239, nxpk= 20, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:240 0 AMB 20-1:240 2.80 (# 240:20 Double Ambig) &rst ixpk= 240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1511, 711, igr2=1513, 713, &end # # 53 LEU HN 52 GLU HA 4.50 (# 241:20 Unique 3.47, 3.50 A) &rst ixpk= 241, nxpk= 20, iat= 726, 713, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 52 GLU HG- 52 GLU HA 4.50 (# 242:20 Unique 2.38, 3.20 A) &rst ixpk= 242, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 718, 719, &end # # 52 GLU HG+ 52 GLU HA 3.50 (# 243:20 Unique 2.38, 3.20 A) &rst ixpk= 243, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 718, 719, &end # # 0 AMB 20-2:244 0 AMB 20-1:244 2.80 (# 244:20 Double Ambig) &rst ixpk= 244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 586, 587, 715, 716, 715, 716, igr2= 584, 713, &end # # 0 AMB 20-2:245 0 AMB 20-1:245 2.80 (# 245:20 Double Ambig) &rst ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 633, 634,1499, igr2= 584,1513, &end # # 97 LEU HN 97 LEU HA 4.50 (# 246:20 Unique 2.83, 2.89 A) &rst ixpk= 246, nxpk= 20, iat=1425,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 LEU HB- 97 LEU HA 3.50 (# 247:20 Unique 2.29, 2.69 A) &rst ixpk= 247, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1429,1430, &end # # 97 LEU HB+ 97 LEU HA 2.80 (# 248:20 Unique 2.29, 2.69 A) &rst ixpk= 248, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1429,1430, &end # # 149 ALA HN 148 PHE HA 2.80 (# 257:20 Unique 2.14, 2.26 A) &rst ixpk= 257, nxpk= 20, iat=2245,2227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 85 PHE HB- 85 PHE HA 3.50 (# 258:20 Unique 2.70, 2.87 A) &rst ixpk= 258, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1231,1232, &end # # 0 AMB 20-2:259 85 PHE HA 3.50 (# 259:20 Single Ambig) &rst ixpk= 259, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1227,1247,1281, &end # # 85 PHE HD 85 PHE HA 3.50 (# 260:20 Unique 2.97, 3.27 A) &rst ixpk= 260, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1235,1243, &end # # 85 PHE HB+ 85 PHE HA 4.50 (# 261:20 Unique 2.70, 2.87 A) &rst ixpk= 261, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1231,1232, &end # # 34 TRP HE1 139 LEU HA 4.50 (# 262:20 Unique 2.93, 3.11 A) &rst ixpk= 262, nxpk= 20, iat= 456,2112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 LEU HN 139 LEU HA 2.80 (# 263:20 Unique 2.66, 2.72 A) &rst ixpk= 263, nxpk= 20, iat=2110,2112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 142 TRP HB+ 139 LEU HA 4.50 (# 264:20 Unique 1.98, 2.80 A) &rst ixpk= 264, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 139 LEU HB- 139 LEU HA 4.50 (# 265:20 Unique 2.13, 2.79 A) &rst ixpk= 265, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2114,2115, &end # # 139 LEU MDX 139 LEU HA 4.50 (# 266:20 Unique 2.34, 3.43 A) &rst ixpk= 266, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDY 139 LEU HA 2.80 (# 267:20 Unique 2.34, 3.43 A) &rst ixpk= 267, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2119,2120,2121,2123,2124,2125, &end # # 73 ILE HN 72 GLU HA 2.80 (# 268:20 Unique 2.16, 2.21 A) &rst ixpk= 268, nxpk= 20, iat=1035,1022, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:269 0 AMB 20-1:269 3.50 (# 269:20 Double Ambig) &rst ixpk= 269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1020,1548, igr2=1022,1535, &end # # 0 AMB 20-2:270 0 AMB 20-1:270 2.80 (# 270:20 Double Ambig) &rst ixpk= 270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=1537,1538,2351,2352,1199,1200,1024,1025, igr2=1535,2349,1197,1022, &end # # 124 MET HG- 15 ASP HA 3.50 (# 271:20 Unique 1.97, 2.80 A) &rst ixpk= 271, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1869,1870, &end # # 0 AMB 20-2:272 15 ASP HA 3.50 (# 272:20 Single Ambig) &rst ixpk= 272, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1869,1870, 205, 206, &end # # 124 MET ME 15 ASP HA 4.50 (# 273:20 Unique 2.77, 4.09 A) &rst ixpk= 273, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1873,1874,1875, &end # # 128 ILE QG2 15 ASP HA 2.80 (# 274:20 Unique 2.29, 3.74 A) &rst ixpk= 274, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1930,1931,1932, &end # # 148 PHE HD 148 PHE HA 3.50 (# 275:20 Unique 2.44, 3.39 A) &rst ixpk= 275, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2233,2241, &end # # 148 PHE HB+ 148 PHE HA 3.50 (# 276:20 Unique 2.50, 2.79 A) &rst ixpk= 276, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2229,2230, &end # # 41 SER HN 41 SER HA 4.50 (# 277:20 Unique 2.20, 2.87 A) &rst ixpk= 277, nxpk= 20, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:278 41 SER HA 4.50 (# 278:20 Single Ambig) &rst ixpk= 278, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 128, 558, &end # # 41 SER HB+ 41 SER HA 2.80 (# 279:20 Unique 2.17, 2.47 A) &rst ixpk= 279, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 551, 552, &end # # 0 AMB 20-2:280 41 SER HA 2.80 (# 280:20 Single Ambig) &rst ixpk= 280, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 551, 552, 569, 570, &end # # 99 ASP HN 99 ASP HA 2.80 (# 281:20 Unique 2.60, 2.73 A) &rst ixpk= 281, nxpk= 20, iat=1463,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:282 99 ASP HA 3.50 (# 282:20 Single Ambig) &rst ixpk= 282, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1475,1492,1399,1400, &end # # 0 AMB 20-2:283 99 ASP HA 4.50 (# 283:20 Single Ambig) &rst ixpk= 283, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1524,1525,1524,1525, &end # # 99 ASP HB+ 99 ASP HA 3.50 (# 284:20 Unique 2.36, 2.73 A) &rst ixpk= 284, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1467,1468, &end # # 99 ASP HB- 99 ASP HA 2.80 (# 285:20 Unique 2.36, 2.73 A) &rst ixpk= 285, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1467,1468, &end # # 102 LYS HB+ 99 ASP HA 3.50 (# 286:20 Unique 2.19, 3.24 A) &rst ixpk= 286, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1515,1516, &end # # 0 AMB 20-2:287 0 AMB 20-1:287 3.50 (# 287:20 Double Ambig) &rst ixpk= 287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2114,2115,1515,1516, igr2=2112,1465, &end # # 0 AMB 20-2:288 99 ASP HA 2.80 (# 288:20 Single Ambig) &rst ixpk= 288, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1521,1522,1521,1522, &end # # 98 ILE QG2 99 ASP HA 3.50 (# 289:20 Unique 2.87, 4.16 A) &rst ixpk= 289, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1450,1451,1452, &end # # 83 GLU HN 83 GLU HA 3.50 (# 290:20 Unique 2.93, 2.94 A) &rst ixpk= 290, nxpk= 20, iat=1195,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:291 0 AMB 20-1:291 3.50 (# 291:20 Double Ambig) &rst ixpk= 291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1027,1028,1251,1252, igr2=1022,1197, &end # # 0 AMB 20-2:292 0 AMB 20-1:292 2.80 (# 292:20 Double Ambig) &rst ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1027,1028,2339,2340,2339,2340,2324,2325, igr2=1022,2349, &end # # 0 AMB 20-2:293 0 AMB 20-1:293 4.50 (# 293:20 Double Ambig) &rst ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1189,1190,1191,2024,2025,2026, igr2=1197,1022, &end # # 73 ILE QD1 72 GLU HA 4.50 (# 294:20 Unique 3.20, 4.56 A) &rst ixpk= 294, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1048,1049,1050, &end # # 141 GLY HN 140 GLU HA 4.50 (# 295:20 Unique 2.63, 3.31 A) &rst ixpk= 295, nxpk= 20, iat=2144,2131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:296 100 GLN HA 3.50 (# 296:20 Single Ambig) &rst ixpk= 296, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1475,1492, &end # # 0 AMB 20-2:297 100 GLN HA 2.80 (# 297:20 Single Ambig) &rst ixpk= 297, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1482,1483,1479,1480,1479,1480,1537,1538, &end # # 0 AMB 20-2:298 0 AMB 20-1:298 2.80 (# 298:20 Double Ambig) &rst ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2069, 326,2081,2082, igr2=2071, 284, &end # # 0 AMB 20-2:299 0 AMB 20-1:299 3.50 (# 299:20 Double Ambig) &rst ixpk= 299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 282,2086, 301, igr2= 284,2071, &end # # 137 GLN HG+ 137 GLN HA 3.50 (# 300:20 Unique 3.07, 3.78 A) &rst ixpk= 300, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2076,2077, &end # # 0 AMB 20-2:301 22 LEU HA 2.80 (# 301:20 Single Ambig) &rst ixpk= 301, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 286, 287, 339, 340, 339, 340, &end # # 0 AMB 20-2:302 137 GLN HA 2.80 (# 302:20 Single Ambig) &rst ixpk= 302, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2073,2074,2136,2137, &end # # 137 GLN HB- 137 GLN HA 2.80 (# 303:20 Unique 2.33, 2.43 A) &rst ixpk= 303, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2073,2074, &end # # 0 AMB 20-2:304 22 LEU HA 2.80 (# 304:20 Single Ambig) &rst ixpk= 304, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 330, 331, 333, 334, 289, &end # # 0 AMB 20-2:305 22 LEU HA 2.80 (# 305:20 Single Ambig) &rst ixpk= 305, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 286, 287, 336, 337, &end # # 0 AMB 20-2:306 22 LEU HA 2.80 (# 306:20 Single Ambig) &rst ixpk= 306, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:307 0 AMB 20-1:307 2.80 (# 307:20 Double Ambig) &rst ixpk= 307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1=1993,1994,1995,1997,1998,1999, 410, 411, 291, 292, 293, 295, 296, 297, igr2= 284,2071, &end # # 84 MET HN 84 MET HA 3.50 (# 308:20 Unique 2.82, 2.86 A) &rst ixpk= 308, nxpk= 20, iat=1210,1212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:309 21 LEU HA 2.80 (# 309:20 Single Ambig) &rst ixpk= 309, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 315, 316, 315, 316, &end # # 21 LEU HB+ 21 LEU HA 3.50 (# 310:20 Unique 2.39, 2.72 A) &rst ixpk= 310, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 267, 268, &end # # 0 AMB 20-2:311 21 LEU HA 2.80 (# 311:20 Single Ambig) &rst ixpk= 311, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 267, 268, 270, &end # # 21 LEU MDY 21 LEU HA 2.80 (# 312:20 Unique 2.30, 3.86 A) &rst ixpk= 312, nxpk= 20, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 272, 273, 274, 276, 277, 278, &end # # 35 VAL HN 34 TRP HA 2.80 (# 313:20 Unique 2.10, 2.18 A) &rst ixpk= 313, nxpk= 20, iat= 470, 448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:314 0 AMB 20-1:314 4.50 (# 314:20 Double Ambig) &rst ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1412,1421, 446, igr2=1373, 448, &end # # 34 TRP HB+ 34 TRP HA 3.50 (# 315:20 Unique 2.30, 2.69 A) &rst ixpk= 315, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 450, 451, &end # # 130 ASP HN 130 ASP HA 3.50 (# 316:20 Unique 2.79, 2.81 A) &rst ixpk= 316, nxpk= 20, iat=1965,1967, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:317 130 ASP HA 4.50 (# 317:20 Single Ambig) &rst ixpk= 317, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2003,1943, &end # # 0 AMB 20-2:318 130 ASP HA 2.80 (# 318:20 Single Ambig) &rst ixpk= 318, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1969,1970,1969,1970, &end # # 0 AMB 20-2:319 84 MET HA 3.50 (# 319:20 Single Ambig) &rst ixpk= 319, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1227,1247,1281, &end # # 84 MET HG- 84 MET HA 3.50 (# 320:20 Unique 2.75, 3.28 A) &rst ixpk= 320, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1217,1218, &end # # 0 AMB 20-2:321 84 MET HA 2.80 (# 321:20 Single Ambig) &rst ixpk= 321, nxpk= 20, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1214,1215,1214,1215, &end # # 34 TRP HB- 34 TRP HA 3.50 (# 322:20 Unique 2.30, 2.69 A) &rst ixpk= 322, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 450, 451, &end # # 0 AMB 20-2:323 0 AMB 20-1:323 2.80 (# 323:20 Double Ambig) &rst ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1378, 39, 40, igr2=1373, 448, &end # # 0 AMB 20-2:324 0 AMB 20-1:324 2.80 (# 324:20 Double Ambig) &rst ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 39, 40,1375,1376, igr2= 448,1373, &end # # 94 LEU MDY 94 LEU HA 2.80 (# 325:20 Unique 2.09, 3.75 A) &rst ixpk= 325, nxpk= 20, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1380,1381,1382,1384,1385,1386, &end # # 79 ASP HN 79 ASP HA 3.50 (# 326:20 Unique 2.88, 2.89 A) &rst ixpk= 326, nxpk= 20, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 ASP HB+ 79 ASP HA 2.80 (# 327:20 Unique 2.47, 2.76 A) &rst ixpk= 327, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1146,1147, &end # # 0 AMB 20-2:328 86 MET HA 3.50 (# 328:20 Single Ambig) &rst ixpk= 328, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1264,1309, &end # # 0 AMB 20-2:329 86 MET HA 3.50 (# 329:20 Single Ambig) &rst ixpk= 329, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1281,1247, &end # # 86 MET HB- 86 MET HA 2.80 (# 330:20 Unique 2.26, 2.41 A) &rst ixpk= 330, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1251,1252, &end # # 86 MET HB+ 86 MET HA 2.80 (# 331:20 Unique 2.26, 2.41 A) &rst ixpk= 331, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1251,1252, &end # # 156 GLU HN 155 GLU HA 2.80 (# 332:20 Unique 2.34, 2.49 A) &rst ixpk= 332, nxpk= 20, iat=2347,2334, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:333 155 GLU HA 4.50 (# 333:20 Single Ambig) &rst ixpk= 333, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2339,2340,2339,2340,2324,2325,2324,2325, &end # # 155 GLU HB+ 155 GLU HA 2.80 (# 334:20 Unique 2.40, 2.65 A) &rst ixpk= 334, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2336,2337, &end # # 155 GLU HB- 155 GLU HA 3.50 (# 335:20 Unique 2.40, 2.65 A) &rst ixpk= 335, nxpk= 20, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2336,2337, &end # # 151 LEU HN 151 LEU HA 5.50 (# 336:20 Unique 2.77, 2.82 A) &rst ixpk= 336, nxpk= 20, iat=2272,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 152 ALA HN 151 LEU HA 2.80 (# 337:20 Unique 2.11, 2.17 A) &rst ixpk= 337, nxpk= 20, iat=2291,2274, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:338 151 LEU HA 3.50 (# 338:20 Single Ambig) &rst ixpk= 338, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1061,1062,2279, &end # # 151 LEU HB- 151 LEU HA 4.50 (# 339:20 Unique 2.47, 2.77 A) &rst ixpk= 339, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2276,2277, &end # # 95 ASN HB+ 95 ASN HA 3.50 (# 340:20 Unique 2.27, 2.48 A) &rst ixpk= 340, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1394,1395, &end # # 95 ASN HB- 95 ASN HA 3.50 (# 341:20 Unique 2.27, 2.48 A) &rst ixpk= 341, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1394,1395, &end # # 0 AMB 20-2:342 95 ASN HA 3.50 (# 342:20 Single Ambig) &rst ixpk= 342, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1454,1455,1429,1430, &end # # 0 AMB 20-2:343 95 ASN HA 3.50 (# 343:20 Single Ambig) &rst ixpk= 343, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1457,1458,1459,1172,1173,1174, &end # # 0 AMB 20-2:344 0 AMB 20-1:344 2.80 (# 344:20 Double Ambig) &rst ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1448, 733, igr2=1392, 728, &end # # 18 ALA HN 18 ALA HA 4.50 (# 345:20 Unique 2.73, 2.81 A) &rst ixpk= 345, nxpk= 20, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 LEU HB+ 18 ALA HA 4.50 (# 346:20 Unique 2.74, 3.45 A) &rst ixpk= 346, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 267, 268, &end # # 124 MET ME 18 ALA HA 2.80 (# 347:20 Unique 2.01, 2.83 A) &rst ixpk= 347, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1873,1874,1875, &end # # 18 ALA MB 18 ALA HA 2.80 (# 348:20 Unique 2.42, 2.65 A) &rst ixpk= 348, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 236, 237, 238, &end # # 132 VAL MGY 18 ALA HA 2.80 (# 349:20 Unique 2.15, 3.66 A) &rst ixpk= 349, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1993,1994,1995,1997,1998,1999, &end # # 108 VAL HN 107 GLU HA 2.80 (# 350:20 Unique 2.11, 2.16 A) &rst ixpk= 350, nxpk= 20, iat=1601,1588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 90 HIS HB- 90 HIS HA 4.50 (# 351:20 Unique 2.40, 2.70 A) &rst ixpk= 351, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1313,1314, &end # # 101 LEU HN 101 LEU HA 4.50 (# 352:20 Unique 2.95, 2.98 A) &rst ixpk= 352, nxpk= 20, iat=1492,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:353 101 LEU HA 2.80 (# 353:20 Single Ambig) &rst ixpk= 353, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1496,1497,1499, &end # # 101 LEU HB+ 101 LEU HA 4.50 (# 354:20 Unique 2.37, 2.75 A) &rst ixpk= 354, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1496,1497, &end # # 101 LEU MDY 101 LEU HA 2.80 (# 355:20 Unique 2.19, 3.88 A) &rst ixpk= 355, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1501,1502,1503,1505,1506,1507, &end # # 155 GLU HN 154 GLU HA 2.80 (# 356:20 Unique 2.22, 2.44 A) &rst ixpk= 356, nxpk= 20, iat=2332,2319, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 151 LEU MDY 151 LEU HA 3.50 (# 357:20 Unique 2.18, 3.80 A) &rst ixpk= 357, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2281,2282,2283,2285,2286,2287, &end # # 53 LEU HN 53 LEU HA 3.50 (# 358:20 Unique 2.87, 2.90 A) &rst ixpk= 358, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 53 LEU HB+ 53 LEU HA 2.80 (# 359:20 Unique 2.48, 2.78 A) &rst ixpk= 359, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 730, 731, &end # # 53 LEU HB- 53 LEU HA 2.80 (# 360:20 Unique 2.48, 2.78 A) &rst ixpk= 360, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 730, 731, &end # # 53 LEU MDY 53 LEU HA 2.80 (# 361:20 Unique 2.11, 3.60 A) &rst ixpk= 361, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 735, 736, 737, 739, 740, 741, &end # # 54 ARG HN 54 ARG HA 2.80 (# 362:20 Unique 2.24, 2.27 A) &rst ixpk= 362, nxpk= 20, iat= 745, 747, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 55 PRO HD+ 54 ARG HA 3.50 (# 363:20 Unique 2.37, 2.65 A) &rst ixpk= 363, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 770, 771, &end # # 0 AMB 20-2:364 54 ARG HA 2.80 (# 364:20 Single Ambig) &rst ixpk= 364, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 749, 750, 773, 774, &end # # 0 AMB 20-2:365 54 ARG HA 3.50 (# 365:20 Single Ambig) &rst ixpk= 365, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 752, 753, 752, 753, &end # # 58 LEU HN 57 ARG HA 2.80 (# 366:20 Unique 2.09, 2.24 A) &rst ixpk= 366, nxpk= 20, iat= 821, 799, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:367 57 ARG HA 3.50 (# 367:20 Single Ambig) &rst ixpk= 367, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1590,1591,1593,1594, &end # # 0 AMB 20-2:368 57 ARG HA 3.50 (# 368:20 Single Ambig) &rst ixpk= 368, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 801, 802,1590,1591, 825, 826, &end # # 57 ARG HB- 57 ARG HA 4.50 (# 369:20 Unique 2.33, 2.73 A) &rst ixpk= 369, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 801, 802, &end # # 0 AMB 20-2:370 57 ARG HA 3.50 (# 370:20 Single Ambig) &rst ixpk= 370, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 804, 805, 804, 805, &end # # 105 ILE QG2 57 ARG HA 4.50 (# 371:20 Unique 2.29, 2.58 A) &rst ixpk= 371, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1566,1567,1568, &end # # 107 GLU HN 57 ARG HA 4.50 (# 372:20 Unique 2.06, 2.15 A) &rst ixpk= 372, nxpk= 20, iat=1586, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 124 MET HG- 124 MET HA 3.50 (# 373:20 Unique 2.44, 2.80 A) &rst ixpk= 373, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1869,1870, &end # # 124 MET HG+ 124 MET HA 4.50 (# 374:20 Unique 2.44, 2.80 A) &rst ixpk= 374, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1869,1870, &end # # 0 AMB 20-2:375 0 AMB 20-1:375 2.80 (# 375:20 Double Ambig) &rst ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2093,2094,1866,1867, igr2=2088,1864, &end # # 125 THR HN 124 MET HA 3.50 (# 376:20 Unique 2.19, 2.22 A) &rst ixpk= 376, nxpk= 20, iat=1879,1864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 131 ALA HN 131 ALA HA 4.50 (# 377:20 Unique 2.82, 2.83 A) &rst ixpk= 377, nxpk= 20, iat=1977,1979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 ALA MB 131 ALA HA 2.80 (# 378:20 Unique 2.36, 2.65 A) &rst ixpk= 378, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1981,1982,1983, &end # # 73 ILE QD1 131 ALA HA 3.50 (# 379:20 Unique 2.07, 3.20 A) &rst ixpk= 379, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1048,1049,1050, &end # # 23 ALA HN 23 ALA HA 3.50 (# 380:20 Unique 2.79, 2.84 A) &rst ixpk= 380, nxpk= 20, iat= 301, 303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 CYS HB+ 23 ALA HA 4.50 (# 381:20 Unique 2.30, 3.49 A) &rst ixpk= 381, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 352, 353, &end # # 23 ALA MB 23 ALA HA 2.80 (# 382:20 Unique 2.37, 2.68 A) &rst ixpk= 382, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 305, 306, 307, &end # # 36 VAL MGX 23 ALA HA 2.80 (# 383:20 Unique 3.02, 4.57 A) &rst ixpk= 383, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 492, 493, 494, 496, 497, 498, &end # # 45 ASN HN 45 ASN HA 2.80 (# 384:20 Unique 2.80, 2.83 A) &rst ixpk= 384, nxpk= 20, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:385 0 AMB 20-1:385 4.50 (# 385:20 Double Ambig) &rst ixpk= 385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 177, 623, igr2= 162, 599, &end # # 45 ASN HB+ 45 ASN HA 2.80 (# 386:20 Unique 2.23, 2.56 A) &rst ixpk= 386, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 601, 602, &end # # 66 MET HN 65 ASP HA 3.50 (# 387:20 Unique 2.10, 2.16 A) &rst ixpk= 387, nxpk= 20, iat= 942, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 138 ARG HN 138 ARG HA 4.50 (# 388:20 Unique 2.87, 2.91 A) &rst ixpk= 388, nxpk= 20, iat=2086,2088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 138 ARG HD- 138 ARG HA 3.50 (# 389:20 Unique 2.08, 3.02 A) &rst ixpk= 389, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2096,2097, &end # # 0 AMB 20-2:390 138 ARG HA 2.80 (# 390:20 Single Ambig) &rst ixpk= 390, nxpk= 20, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2090,2091,2090,2091, &end # # 0 AMB 20-2:391 0 AMB 20-1:391 3.50 (# 391:20 Double Ambig) &rst ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2093,2094, 946, 947, igr2=2088, 944, &end # # 66 MET HG+ 66 MET HA 3.50 (# 392:20 Unique 2.32, 2.81 A) &rst ixpk= 392, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 949, 950, &end # # 64 THR MG2 66 MET HA 4.50 (# 393:20 Unique 4.53, 5.70 A) &rst ixpk= 393, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 922, 923, 924, &end # # 151 LEU MDX 66 MET HA 3.50 (# 394:20 Unique 3.09, 4.59 A) &rst ixpk= 394, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2281,2282,2283,2285,2286,2287, &end # # 49 ALA HN 49 ALA HA 3.50 (# 395:20 Unique 2.83, 2.85 A) &rst ixpk= 395, nxpk= 20, iat= 658, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:396 49 ALA HA 3.50 (# 396:20 Single Ambig) &rst ixpk= 396, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 715, 716, 715, 716, &end # # 0 AMB 20-2:397 0 AMB 20-1:397 2.80 (# 397:20 Double Ambig) &rst ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 363, 364, 365, 662, 663, 664, igr2= 361, 660, &end # # 0 AMB 20-2:398 82 ALA HA 2.80 (# 398:20 Single Ambig) &rst ixpk= 398, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1185,1227, &end # # 81 ILE QG2 82 ALA HA 4.50 (# 399:20 Unique 3.09, 4.38 A) &rst ixpk= 399, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1172,1173,1174, &end # # 29 ALA HN 28 ALA HA 4.50 (# 400:20 Unique 3.53, 3.55 A) &rst ixpk= 400, nxpk= 20, iat= 379, 371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 ALA HN 28 ALA HA 3.50 (# 401:20 Unique 2.84, 2.86 A) &rst ixpk= 401, nxpk= 20, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ALA MB 28 ALA HA 2.80 (# 402:20 Unique 2.43, 2.66 A) &rst ixpk= 402, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 373, 374, 375, &end # # 28 ALA HN 27 ALA HA 4.50 (# 403:20 Unique 3.58, 3.59 A) &rst ixpk= 403, nxpk= 20, iat= 369, 361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:406 91 ASN HA 3.50 (# 406:20 Single Ambig) &rst ixpk= 406, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1326,1340, &end # # 91 ASN HB+ 91 ASN HA 3.50 (# 407:20 Unique 2.47, 2.82 A) &rst ixpk= 407, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1330,1331, &end # # 91 ASN HB- 91 ASN HA 3.50 (# 408:20 Unique 2.47, 2.82 A) &rst ixpk= 408, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1330,1331, &end # # 3 ASP HB- 3 ASP HA 3.50 (# 409:20 Unique 2.50, 2.84 A) &rst ixpk= 409, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 0 AMB 20-2:410 3 ASP HA 2.80 (# 410:20 Single Ambig) &rst ixpk= 410, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 47, 35, &end # # 57 ARG HN 3 ASP HA 4.50 (# 411:20 Unique 2.58, 2.72 A) &rst ixpk= 411, nxpk= 20, iat= 797, 37, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:412 3 ASP HA 5.50 (# 412:20 Single Ambig) &rst ixpk= 412, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 51, 825, 826, &end # # 3 ASP HB+ 3 ASP HA 3.50 (# 413:20 Unique 2.50, 2.84 A) &rst ixpk= 413, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 39, 40, &end # # 115 PRO HD+ 114 GLN HA 3.50 (# 415:20 Unique 2.03, 2.45 A) &rst ixpk= 415, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1719,1720, &end # # 115 PRO HD- 114 GLN HA 3.50 (# 416:20 Unique 2.03, 2.45 A) &rst ixpk= 416, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1719,1720, &end # # 0 AMB 20-2:417 114 GLN HA 3.50 (# 417:20 Single Ambig) &rst ixpk= 417, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1705,1706,1705,1706, &end # # 66 MET ME 114 GLN HA 3.50 (# 418:20 Unique 2.16, 2.91 A) &rst ixpk= 418, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 953, 954, 955, &end # # 59 LEU HN 58 LEU HA 2.80 (# 419:20 Unique 2.14, 2.24 A) &rst ixpk= 419, nxpk= 20, iat= 840, 823, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:420 58 LEU HA 3.50 (# 420:20 Single Ambig) &rst ixpk= 420, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 825, 826, 51, &end # # 58 LEU HB- 58 LEU HA 3.50 (# 421:20 Unique 2.36, 2.70 A) &rst ixpk= 421, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 825, 826, &end # # 0 AMB 20-2:422 58 LEU HA 2.80 (# 422:20 Single Ambig) &rst ixpk= 422, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 53, 54, 55, 57, 58, 59, 830, 831, 832, 834, 835, 836, &end # # 6 LEU HN 5 LEU HA 2.80 (# 423:20 Unique 2.21, 2.26 A) &rst ixpk= 423, nxpk= 20, iat= 82, 65, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 5 LEU HB+ 5 LEU HA 4.50 (# 424:20 Unique 2.38, 2.72 A) &rst ixpk= 424, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 67, 68, &end # # 0 AMB 20-2:425 5 LEU HA 3.50 (# 425:20 Single Ambig) &rst ixpk= 425, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 844, 845, 70, &end # # 0 AMB 20-2:426 5 LEU HA 2.80 (# 426:20 Single Ambig) &rst ixpk= 426, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 67, 68, 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:427 5 LEU HA 4.50 (# 427:20 Single Ambig) &rst ixpk= 427, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 844, 845,2119,2120,2121,2123,2124,2125, &end # # 5 LEU MDY 5 LEU HA 3.50 (# 428:20 Unique 2.30, 3.96 A) &rst ixpk= 428, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDY 59 LEU HA 3.50 (# 429:20 Unique 2.32, 4.01 A) &rst ixpk= 429, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 849, 850, 851, 853, 854, 855, &end # # 37 ILE HN 6 LEU HA 4.50 (# 430:20 Unique 2.99, 3.19 A) &rst ixpk= 430, nxpk= 20, iat= 502, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:431 0 AMB 20-1:431 2.80 (# 431:20 Double Ambig) &rst ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 859,2245, igr2= 842,1056, &end # # 75 ILE HN 74 ARG HA 3.50 (# 433:20 Unique 2.16, 2.24 A) &rst ixpk= 433, nxpk= 20, iat=1078,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 GLY HN 13 MET HA 4.50 (# 434:20 Unique 2.56, 2.68 A) &rst ixpk= 434, nxpk= 20, iat= 194, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 ARG HD- 74 ARG HA 4.50 (# 435:20 Unique 2.12, 2.65 A) &rst ixpk= 435, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1064,1065, &end # # 74 ARG HD+ 74 ARG HA 3.50 (# 436:20 Unique 2.12, 2.65 A) &rst ixpk= 436, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1064,1065, &end # # 13 MET HB+ 13 MET HA 3.50 (# 437:20 Unique 2.48, 2.79 A) &rst ixpk= 437, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 181, 182, &end # # 0 AMB 20-2:438 0 AMB 20-1:438 2.80 (# 438:20 Double Ambig) &rst ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1621, 181, 182, igr2= 842, 179, &end # # 0 AMB 20-2:439 0 AMB 20-1:439 2.80 (# 439:20 Double Ambig) &rst ixpk= 439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1061,1062,1088,1089,1627,1628, igr2=1056, 842, &end # # 59 LEU HG 59 LEU HA 3.50 (# 440:20 Unique 2.38, 3.10 A) &rst ixpk= 440, nxpk= 20, iat= 847, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 74 ARG HG+ 74 ARG HA 3.50 (# 441:20 Unique 2.92, 3.44 A) &rst ixpk= 441, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1061,1062, &end # # 7 CYS HN 6 LEU HA 2.80 (# 442:20 Unique 2.13, 2.16 A) &rst ixpk= 442, nxpk= 20, iat= 101, 84, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 6 LEU MDY 6 LEU HA 2.80 (# 443:20 Unique 2.22, 3.91 A) &rst ixpk= 443, nxpk= 20, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 91, 92, 93, 95, 96, 97, &end # # 145 ASN HB+ 145 ASN HA 3.50 (# 444:20 Unique 2.36, 2.80 A) &rst ixpk= 444, nxpk= 20, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2201,2202, &end # # 145 ASN HB- 145 ASN HA 3.50 (# 445:20 Unique 2.36, 2.80 A) &rst ixpk= 445, nxpk= 20, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2201,2202, &end # # 69 ASN HN 68 LEU HA 3.50 (# 446:20 Unique 3.47, 3.49 A) &rst ixpk= 446, nxpk= 20, iat= 985, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 LEU HB+ 68 LEU HA 3.50 (# 447:20 Unique 2.43, 2.76 A) &rst ixpk= 447, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 970, 971, &end # # 0 AMB 20-2:449 68 LEU HA 2.80 (# 449:20 Single Ambig) &rst ixpk= 449, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, &end # # 39 GLY HN 38 ASP HA 2.80 (# 450:20 Unique 2.11, 2.18 A) &rst ixpk= 450, nxpk= 20, iat= 533, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:451 38 ASP HA 3.50 (# 451:20 Single Ambig) &rst ixpk= 451, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 101, 521, &end # # 64 THR HN 63 ALA HA 2.80 (# 452:20 Unique 2.26, 2.29 A) &rst ixpk= 452, nxpk= 20, iat= 916, 908, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 113 ILE HN 63 ALA HA 3.50 (# 453:20 Unique 2.10, 2.21 A) &rst ixpk= 453, nxpk= 20, iat=1682, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 63 ALA MB 63 ALA HA 2.80 (# 454:20 Unique 2.42, 2.67 A) &rst ixpk= 454, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 910, 911, 912, &end # # 113 ILE HB 63 ALA HA 3.50 (# 455:20 Unique 2.30, 2.37 A) &rst ixpk= 455, nxpk= 20, iat=1686, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 ASN HB+ 33 ASN HA 2.80 (# 456:20 Unique 2.20, 2.72 A) &rst ixpk= 456, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 436, 437, &end # # 38 ASP HB+ 38 ASP HA 3.50 (# 457:20 Unique 2.34, 2.69 A) &rst ixpk= 457, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 525, 526, &end # # 38 ASP HB- 38 ASP HA 3.50 (# 458:20 Unique 2.34, 2.69 A) &rst ixpk= 458, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 525, 526, &end # # 63 ALA HN 62 ASP HA 4.50 (# 459:20 Unique 2.52, 2.56 A) &rst ixpk= 459, nxpk= 20, iat= 906, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 153 VAL HN 152 ALA HA 3.50 (# 460:20 Unique 2.31, 2.50 A) &rst ixpk= 460, nxpk= 20, iat=2301,2293, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 152 ALA MB 152 ALA HA 2.80 (# 461:20 Unique 2.47, 2.69 A) &rst ixpk= 461, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=2295,2296,2297, &end # # 149 ALA HN 149 ALA HA 4.50 (# 462:20 Unique 2.89, 2.94 A) &rst ixpk= 462, nxpk= 20, iat=2245,2247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 GLN HN 149 ALA HA 2.80 (# 463:20 Unique 2.25, 2.31 A) &rst ixpk= 463, nxpk= 20, iat=2255,2247, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 150 GLN HB+ 149 ALA HA 4.50 (# 464:20 Unique 3.78, 4.50 A) &rst ixpk= 464, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2259,2260, &end # # 149 ALA MB 149 ALA HA 2.80 (# 465:20 Unique 2.48, 2.70 A) &rst ixpk= 465, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=2249,2250,2251, &end # # 0 AMB 20-2:468 78 PRO HD- 3.50 (# 468:20 Single Ambig) &rst ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1132,1133,1135,1136, igr2=1129,1130, &end # # 78 PRO HG- 78 PRO HD- 3.50 (# 472:20 Unique 2.27, 2.61 A) &rst ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1132,1133, igr2=1129,1130, &end # # 114 GLN HA 115 PRO HD+ 4.50 (# 473:20 Unique 2.03, 2.45 A) &rst ixpk= 473, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1719,1720, &end # # 0 AMB 20-2:474 0 AMB 20-1:474 3.50 (# 474:20 Double Ambig) &rst ixpk= 474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1725,1726, 953, 954, 955, igr2=1719,1720,1719,1720, &end # # 78 PRO HG+ 78 PRO HD+ 2.80 (# 475:20 Unique 2.27, 2.61 A) &rst ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1132,1133, igr2=1129,1130, &end # # 0 AMB 20-2:478 0 AMB 20-1:478 2.80 (# 478:20 Double Ambig) &rst ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1361,1362,1361,1362, igr2=1358,1359,1358,1359, &end # # 29 ALA HA 30 PRO HD+ 2.80 (# 479:20 Unique 2.12, 2.44 A) &rst ixpk= 479, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 390, 391, &end # # 30 PRO HG- 30 PRO HD+ 2.80 (# 481:20 Unique 2.32, 2.62 A) &rst ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 393, 394, igr2= 390, 391, &end # # 29 ALA MB 30 PRO HD+ 3.50 (# 482:20 Unique 3.78, 4.74 A) &rst ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 383, 384, 385, igr2= 390, 391, &end # # 0 AMB 20-2:483 0 AMB 20-1:483 4.50 (# 483:20 Double Ambig) &rst ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 916,1340, igr2=1719,1720,1358,1359, &end # # 114 GLN HA 115 PRO HD- 2.80 (# 484:20 Unique 2.03, 2.45 A) &rst ixpk= 484, nxpk= 20, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1719,1720, &end # # 86 MET HB- 93 PRO HD- 4.50 (# 486:20 Unique 3.72, 6.03 A) &rst ixpk= 486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1251,1252, igr2=1358,1359, &end # # 0 AMB 20-2:487 93 PRO HD- 2.80 (# 487:20 Single Ambig) &rst ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1361,1362,1361,1362, igr2=1358,1359, &end # # 30 PRO HB+ 30 PRO HD- 4.50 (# 489:20 Unique 2.83, 3.70 A) &rst ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 396, 397, igr2= 390, 391, &end # # 30 PRO HG+ 30 PRO HD- 2.80 (# 490:20 Unique 2.32, 2.62 A) &rst ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 393, 394, igr2= 390, 391, &end # # 29 ALA MB 30 PRO HD- 4.50 (# 491:20 Unique 3.78, 4.74 A) &rst ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 383, 384, 385, igr2= 390, 391, &end # # 42 ALA HN 42 ALA HA 4.50 (# 492:20 Unique 2.86, 2.94 A) &rst ixpk= 492, nxpk= 20, iat= 558, 560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 PRO HD+ 42 ALA HA 2.80 (# 493:20 Unique 2.21, 2.72 A) &rst ixpk= 493, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 569, 570, &end # # 43 PRO HD- 42 ALA HA 3.50 (# 494:20 Unique 2.21, 2.72 A) &rst ixpk= 494, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 569, 570, &end # # 0 AMB 20-2:495 42 ALA HA 4.50 (# 495:20 Single Ambig) &rst ixpk= 495, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 572, 573, 572, 573, 575, 576, 575, 576, &end # # 42 ALA MB 42 ALA HA 2.80 (# 496:20 Unique 2.41, 2.65 A) &rst ixpk= 496, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 562, 563, 564, &end # # 54 ARG HN 55 PRO HD- 3.50 (# 497:20 Unique 2.14, 3.05 A) &rst ixpk= 497, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 770, 771, &end # # 55 PRO HG- 55 PRO HD- 2.80 (# 499:20 Unique 2.27, 2.60 A) &rst ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 773, 774, igr2= 770, 771, &end # # 0 AMB 20-2:500 55 PRO HD- 3.50 (# 500:20 Single Ambig) &rst ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739, 740, 741, igr2= 770, 771, &end # # 0 AMB 20-2:501 55 PRO HD- 3.50 (# 501:20 Single Ambig) &rst ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 674, 675, 676,1501,1502,1503,1505,1506,1507, igr2= 770, 771, &end # # 0 AMB 20-2:502 0 AMB 20-1:502 2.80 (# 502:20 Double Ambig) &rst ixpk= 502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 773, 774,1003,1004, igr2= 770, 771,1000,1001, &end # # 0 AMB 20-2:504 0 AMB 20-1:504 4.50 (# 504:20 Double Ambig) &rst ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 989, 990, 989, 990, igr2=1000,1001,1000,1001, &end # # 70 PRO HG- 70 PRO HD+ 2.80 (# 505:20 Unique 2.34, 2.63 A) &rst ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1003,1004, igr2=1000,1001, &end # # 70 PRO HG+ 70 PRO HD+ 2.80 (# 506:20 Unique 2.34, 2.63 A) &rst ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1003,1004, igr2=1000,1001, &end # # 0 AMB 20-2:507 0 AMB 20-1:507 4.50 (# 507:20 Double Ambig) &rst ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1883,1920, igr2=1911,1912,1911,1912, &end # # 126 GLN HB- 127 PRO HD+ 2.80 (# 509:20 Unique 2.14, 3.37 A) &rst ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1897,1898, igr2=1911,1912, &end # # 0 AMB 20-2:510 127 PRO HD- 3.50 (# 510:20 Single Ambig) &rst ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1883,1920, igr2=1911,1912, &end # # 127 PRO HG+ 127 PRO HD- 2.80 (# 511:20 Unique 2.30, 2.59 A) &rst ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1914,1915, igr2=1911,1912, &end # # 0 AMB 20-2:513 70 PRO HD- 3.50 (# 513:20 Single Ambig) &rst ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 989, 990, 989, 990, igr2=1000,1001, &end # # 70 PRO HB- 70 PRO HD- 4.50 (# 514:20 Unique 2.73, 3.69 A) &rst ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1006,1007, igr2=1000,1001, &end # # 54 ARG HN 55 PRO HD+ 3.50 (# 515:20 Unique 2.14, 3.05 A) &rst ixpk= 515, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 770, 771, &end # # 53 LEU HB+ 55 PRO HD+ 3.50 (# 517:20 Unique 2.26, 4.13 A) &rst ixpk= 517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 730, 731, igr2= 770, 771, &end # # 55 PRO HG+ 55 PRO HD+ 3.50 (# 518:20 Unique 2.27, 2.60 A) &rst ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 773, 774, igr2= 770, 771, &end # # 55 PRO HG- 55 PRO HD+ 4.50 (# 519:20 Unique 2.27, 2.60 A) &rst ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 773, 774, igr2= 770, 771, &end # # 0 AMB 20-2:520 0 AMB 20-1:520 3.50 (# 520:20 Double Ambig) &rst ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=1570,1571, 53, 54, 55, 57, 58, 59, igr2= 770, 771, 770, 771, &end # # 105 ILE QD1 55 PRO HD+ 3.50 (# 521:20 Unique 2.47, 4.26 A) &rst ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1573,1574,1575, igr2= 770, 771, &end # # 42 ALA HA 43 PRO HD+ 2.80 (# 523:20 Unique 2.21, 2.72 A) &rst ixpk= 523, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 569, 570, &end # # 0 AMB 20-2:524 0 AMB 20-1:524 2.80 (# 524:20 Double Ambig) &rst ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 572, 573, 572, 573, 575, 576, 575, 576, igr2= 569, 570, 569, 570, 569, 570, 569, 570, &end # # 42 ALA MB 43 PRO HD+ 4.50 (# 525:20 Unique 4.33, 4.88 A) &rst ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 562, 563, 564, igr2= 569, 570, &end # # 122 TYR HA 123 PRO HD- 3.50 (# 526:20 Unique 2.23, 2.44 A) &rst ixpk= 526, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1849,1850, &end # # 123 PRO HG+ 123 PRO HD- 2.80 (# 528:20 Unique 2.30, 2.60 A) &rst ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1852,1853, igr2=1849,1850, &end # # 42 ALA HA 43 PRO HD- 3.50 (# 531:20 Unique 2.21, 2.72 A) &rst ixpk= 531, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 569, 570, &end # # 0 AMB 20-2:532 43 PRO HD- 2.80 (# 532:20 Single Ambig) &rst ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 572, 573, 572, 573, 575, 576, 575, 576, igr2= 569, 570, &end # # 15 ASP HN 14 GLY HA+ 4.50 (# 536:20 Unique 2.13, 2.71 A) &rst ixpk= 536, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 196, 197, &end # # 14 GLY HN 14 GLY HA+ 2.80 (# 537:20 Unique 2.27, 2.58 A) &rst ixpk= 537, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 196, 197, &end # # 0 AMB 20-2:538 0 AMB 20-1:538 3.50 (# 538:20 Double Ambig) &rst ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 201,2161, igr2= 196, 197,2192,2193, &end # # 106 GLY HN 106 GLY HA+ 2.80 (# 541:20 Unique 2.26, 2.57 A) &rst ixpk= 541, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1581,1582, &end # # 107 GLU HN 106 GLY HA+ 3.50 (# 542:20 Unique 2.78, 3.27 A) &rst ixpk= 542, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1581,1582, &end # # 0 AMB 20-2:543 0 AMB 20-1:543 4.50 (# 543:20 Double Ambig) &rst ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1765,1858, 785, igr2= 196, 197, 196, 197,1581,1582, &end # # 0 AMB 20-2:544 0 AMB 20-1:544 4.50 (# 544:20 Double Ambig) &rst ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1562, 787, igr2=1581,1582,1581,1582, &end # # 144 GLY HN 144 GLY HA+ 5.50 (# 546:20 Unique 2.25, 2.62 A) &rst ixpk= 546, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2192,2193, &end # # 106 GLY HN 106 GLY HA- 2.80 (# 547:20 Unique 2.26, 2.57 A) &rst ixpk= 547, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1581,1582, &end # # 107 GLU HN 106 GLY HA- 4.50 (# 548:20 Unique 2.78, 3.27 A) &rst ixpk= 548, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1581,1582, &end # # 144 GLY HN 144 GLY HA- 5.50 (# 549:20 Unique 2.25, 2.62 A) &rst ixpk= 549, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2192,2193, &end # # 19 GLY HN 19 GLY HA- 4.50 (# 550:20 Unique 2.29, 2.57 A) &rst ixpk= 550, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 244, 245, &end # # 0 AMB 20-2:553 0 AMB 20-1:553 2.80 (# 553:20 Double Ambig) &rst ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 547, 540, igr2= 542, 543, 542, 543, &end # # 0 AMB 20-2:554 40 GLY HA- 2.80 (# 554:20 Single Ambig) &rst ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 547, 540, igr2= 542, 543, &end # # 58 LEU HG 58 LEU HB+ 4.50 (# 556:20 Unique 2.44, 2.77 A) &rst ixpk= 556, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 825, 826, &end # # 0 AMB 20-2:558 0 AMB 20-1:558 2.80 (# 558:20 Double Ambig) &rst ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1607,1608,1609,1611,1612,1613, 674, 675, 676, igr2= 825, 826, 825, 826, &end # # 0 AMB 20-2:561 58 LEU HB- 2.80 (# 561:20 Single Ambig) &rst ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1607,1608,1609,1611,1612,1613, 674, 675, 676, igr2= 825, 826, &end # # 32 GLY HN 0 AMB 20-1:562 2.80 (# 562:20 Single Ambig) &rst ixpk= 562, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 427, 428, 427, 428, &end # # 34 TRP HD1 0 AMB 20-1:563 4.50 (# 563:20 Single Ambig) &rst ixpk= 563, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 427, 428, 427, 428, &end # # 67 GLY HN 67 GLY HA- 3.50 (# 564:20 Unique 2.25, 2.52 A) &rst ixpk= 564, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 961, 962, &end # # 67 GLY HN 67 GLY HA+ 3.50 (# 565:20 Unique 2.25, 2.52 A) &rst ixpk= 565, nxpk= 20, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 961, 962, &end # # 39 GLY HN 39 GLY HA- 4.50 (# 566:20 Unique 2.27, 2.64 A) &rst ixpk= 566, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 535, 536, &end # # 43 PRO HA 39 GLY HA- 3.50 (# 567:20 Unique 2.11, 2.72 A) &rst ixpk= 567, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 535, 536, &end # # 6 LEU MDY 39 GLY HA- 4.50 (# 569:20 Unique 2.21, 4.69 A) &rst ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 91, 92, 93, 95, 96, 97, igr2= 535, 536, &end # # 6 LEU MDX 39 GLY HA- 4.50 (# 571:20 Unique 2.21, 4.69 A) &rst ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 91, 92, 93, 95, 96, 97, igr2= 535, 536, &end # # 39 GLY HN 39 GLY HA+ 4.50 (# 572:20 Unique 2.27, 2.64 A) &rst ixpk= 572, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 535, 536, &end # # 6 LEU MDY 39 GLY HA+ 3.50 (# 574:20 Unique 2.21, 4.69 A) &rst ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 91, 92, 93, 95, 96, 97, igr2= 535, 536, &end # # 124 MET ME 0 AMB 20-1:575 4.50 (# 575:20 Single Ambig) &rst ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1873,1874,1875, igr2= 227, 228, 227, 228, &end # # 17 GLY HN 0 AMB 20-1:576 2.80 (# 576:20 Single Ambig) &rst ixpk= 576, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 227, 228, 227, 228, &end # # 11 SER HA 0 AMB 20-1:577 2.80 (# 577:20 Single Ambig) &rst ixpk= 577, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 227, 228, 227, 228, &end # # 107 GLU HB- 57 ARG HD+ 3.50 (# 578:20 Unique 2.05, 3.42 A) &rst ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1590,1591, igr2= 807, 808, &end # # 111 LEU HN 111 LEU HB+ 3.50 (# 579:20 Unique 2.42, 2.78 A) &rst ixpk= 579, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1660,1661, &end # # 111 LEU HA 111 LEU HB+ 3.50 (# 580:20 Unique 2.35, 2.70 A) &rst ixpk= 580, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1660,1661, &end # # 0 AMB 20-2:583 0 AMB 20-1:583 2.80 (# 583:20 Double Ambig) &rst ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669, 1670,1671,1665,1666,1667,1669,1670,1671, igr2=1660,1661,1660,1661,1660,1661, &end # # 59 LEU MDY 59 LEU HB+ 4.50 (# 585:20 Unique 2.38, 3.35 A) &rst ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 849, 850, 851, 853, 854, 855, igr2= 844, 845, &end # # 59 LEU MDX 59 LEU HB+ 3.50 (# 587:20 Unique 2.38, 3.35 A) &rst ixpk= 587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 849, 850, 851, 853, 854, 855, igr2= 844, 845, &end # # 111 LEU HN 111 LEU HB- 4.50 (# 588:20 Unique 2.42, 2.78 A) &rst ixpk= 588, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1660,1661, &end # # 59 LEU MDY 111 LEU HB- 4.50 (# 590:20 Unique 2.50, 4.50 A) &rst ixpk= 590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 849, 850, 851, 853, 854, 855, igr2=1660,1661, &end # # 111 LEU HA 111 LEU HB- 3.50 (# 591:20 Unique 2.35, 2.70 A) &rst ixpk= 591, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1660,1661, &end # # 0 AMB 20-2:593 111 LEU HB- 2.80 (# 593:20 Single Ambig) &rst ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 884, 885, 886, 888, 889, 890,1665,1666,1667,1669, 1670,1671, igr2=1660,1661, &end # # 59 LEU MDY 59 LEU HB- 3.50 (# 596:20 Unique 2.38, 3.35 A) &rst ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 849, 850, 851, 853, 854, 855, igr2= 844, 845, &end # # 59 LEU MDX 59 LEU HB- 3.50 (# 597:20 Unique 2.38, 3.35 A) &rst ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 849, 850, 851, 853, 854, 855, igr2= 844, 845, &end # # 71 GLY HN 71 GLY HA+ 4.50 (# 600:20 Unique 2.28, 2.60 A) &rst ixpk= 600, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1015,1016, &end # # 10 ASN HB+ 9 GLY HA- 4.50 (# 601:20 Unique 4.23, 4.95 A) &rst ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 139, 140, igr2= 130, 131, &end # # 0 AMB 20-2:602 0 AMB 20-1:602 4.50 (# 602:20 Double Ambig) &rst ixpk= 602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1981,1982,1983,1934,1935, igr2=1015,1016,1015,1016, &end # # 128 ILE QD1 71 GLY HA+ 4.50 (# 603:20 Unique 3.09, 4.25 A) &rst ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939, igr2=1015,1016, &end # # 10 ASN HN 9 GLY HA- 4.50 (# 604:20 Unique 2.24, 2.58 A) &rst ixpk= 604, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 130, 131, &end # # 120 PHE HN 119 GLY HA+ 3.50 (# 606:20 Unique 2.33, 2.69 A) &rst ixpk= 606, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1781,1782, &end # # 119 GLY HN 119 GLY HA+ 4.50 (# 607:20 Unique 2.73, 2.82 A) &rst ixpk= 607, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1781,1782, &end # # 147 GLY HN 147 GLY HA+ 4.50 (# 609:20 Unique 2.27, 2.60 A) &rst ixpk= 609, nxpk= 20, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2220,2221, &end # # 147 GLY HN 147 GLY HA- 3.50 (# 611:20 Unique 2.27, 2.60 A) &rst ixpk= 611, nxpk= 20, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2220,2221, &end # # 120 PHE HN 119 GLY HA- 3.50 (# 614:20 Unique 2.33, 2.69 A) &rst ixpk= 614, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1781,1782, &end # # 0 AMB 20-2:615 0 AMB 20-1:615 3.50 (# 615:20 Double Ambig) &rst ixpk= 615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 804, 805, 804, 805, igr2= 807, 808, 807, 808, &end # # 0 AMB 20-2:616 57 ARG HD- 3.50 (# 616:20 Single Ambig) &rst ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 804, 805, 804, 805, igr2= 807, 808, &end # # 71 GLY HN 71 GLY HA- 4.50 (# 617:20 Unique 2.28, 2.60 A) &rst ixpk= 617, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1015,1016, &end # # 0 AMB 20-2:620 71 GLY HA- 4.50 (# 620:20 Single Ambig) &rst ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1981,1982,1983,1934,1935, igr2=1015,1016, &end # # 128 ILE QD1 71 GLY HA- 4.50 (# 621:20 Unique 3.09, 4.25 A) &rst ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939, igr2=1015,1016, &end # # 146 GLY HN 146 GLY HA+ 3.50 (# 622:20 Unique 2.23, 2.57 A) &rst ixpk= 622, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2213,2214, &end # # 146 GLY HN 146 GLY HA- 3.50 (# 625:20 Unique 2.23, 2.57 A) &rst ixpk= 625, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2213,2214, &end # # 5 LEU MDX 5 LEU HB+ 3.50 (# 629:20 Unique 2.34, 3.35 A) &rst ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 72, 73, 74, 76, 77, 78, igr2= 67, 68, &end # # 36 VAL HA 5 LEU HB+ 4.50 (# 630:20 Unique 2.16, 3.24 A) &rst ixpk= 630, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 5 LEU MDX 5 LEU HB- 4.50 (# 632:20 Unique 2.34, 3.35 A) &rst ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 72, 73, 74, 76, 77, 78, igr2= 67, 68, &end # # 5 LEU MDY 5 LEU HB- 5.50 (# 633:20 Unique 2.34, 3.35 A) &rst ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 67, 68, &end # # 0 AMB 20-2:634 0 AMB 20-1:634 3.50 (# 634:20 Double Ambig) &rst ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 830, 831, 832, 834, 835, 836, 91, 92, 93, 95, 96, 97, igr2= 86, 87, 86, 87, &end # # 0 AMB 20-2:635 0 AMB 20-1:635 3.50 (# 635:20 Double Ambig) &rst ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 681, 682, 683, 678, 679, 118, 119, 120, 122, 123, 124, igr2= 86, 87, 86, 87, 86, 87, &end # # 0 AMB 20-2:639 6 LEU HB- 3.50 (# 639:20 Single Ambig) &rst ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 869, 870, 681, 682, 683, 678, 679, igr2= 86, 87, &end # # 5 LEU HA 5 LEU HB- 3.50 (# 641:20 Unique 2.38, 2.72 A) &rst ixpk= 641, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 67, 68, &end # # 113 ILE HN 112 GLY HA+ 3.50 (# 642:20 Unique 2.27, 2.64 A) &rst ixpk= 642, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1677,1678, &end # # 112 GLY HN 112 GLY HA- 4.50 (# 645:20 Unique 2.37, 2.68 A) &rst ixpk= 645, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1677,1678, &end # # 76 ILE QD1 112 GLY HA- 4.50 (# 646:20 Unique 2.18, 3.75 A) &rst ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1110,1111,1112, igr2=1677,1678, &end # # 113 ILE HN 112 GLY HA- 3.50 (# 647:20 Unique 2.27, 2.64 A) &rst ixpk= 647, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1677,1678, &end # # 51 ARG HE 51 ARG HD+ 5.50 (# 649:20 Unique 2.35, 2.81 A) &rst ixpk= 649, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 0 AMB 20-2:651 0 AMB 20-1:651 2.80 (# 651:20 Double Ambig) &rst ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 691, 692, 691, 692, igr2= 697, 698, 697, 698, &end # # 51 ARG HG+ 51 ARG HD+ 2.80 (# 652:20 Unique 2.27, 2.76 A) &rst ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 694, 695, igr2= 697, 698, &end # # 51 ARG HG- 51 ARG HD+ 2.80 (# 653:20 Unique 2.27, 2.76 A) &rst ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 694, 695, igr2= 697, 698, &end # # 0 AMB 20-2:654 0 AMB 20-1:654 4.50 (# 654:20 Double Ambig) &rst ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507, igr2= 697, 698, 697, 698, &end # # 0 AMB 20-2:655 51 ARG HD- 2.80 (# 655:20 Single Ambig) &rst ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 691, 692, 691, 692, igr2= 697, 698, &end # # 51 ARG HG- 51 ARG HD- 2.80 (# 656:20 Unique 2.27, 2.76 A) &rst ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 694, 695, igr2= 697, 698, &end # # 51 ARG HG+ 51 ARG HD- 3.50 (# 657:20 Unique 2.27, 2.76 A) &rst ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 694, 695, igr2= 697, 698, &end # # 0 AMB 20-2:658 51 ARG HD- 4.50 (# 658:20 Single Ambig) &rst ixpk= 658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 629, 630, 631,1501,1502,1503,1505,1506,1507, igr2= 697, 698, &end # # 0 AMB 20-2:659 0 AMB 20-1:659 3.50 (# 659:20 Double Ambig) &rst ixpk= 659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1024,1025,1708,1709, igr2= 970, 971, 970, 971, &end # # 0 AMB 20-2:660 0 AMB 20-1:660 2.80 (# 660:20 Double Ambig) &rst ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 970, 971, 970, 971, &end # # 69 ASN HN 68 LEU HB+ 4.50 (# 661:20 Unique 1.83, 2.19 A) &rst ixpk= 661, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 970, 971, &end # # 68 LEU HA 68 LEU HB+ 4.50 (# 662:20 Unique 2.43, 2.76 A) &rst ixpk= 662, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 970, 971, &end # # 69 ASN HN 68 LEU HB- 4.50 (# 663:20 Unique 1.83, 2.19 A) &rst ixpk= 663, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 970, 971, &end # # 0 AMB 20-2:664 68 LEU HB- 3.50 (# 664:20 Single Ambig) &rst ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1024,1025,1708,1709, igr2= 970, 971, &end # # 0 AMB 20-2:666 68 LEU HB- 2.80 (# 666:20 Single Ambig) &rst ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 970, 971, &end # # 74 ARG HA 74 ARG HD- 4.50 (# 667:20 Unique 2.12, 2.65 A) &rst ixpk= 667, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1064,1065, &end # # 0 AMB 20-2:669 74 ARG HD- 3.50 (# 669:20 Single Ambig) &rst ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=2249,2250,2251,1061,1062, igr2=1064,1065, &end # # 117 ILE HN 116 ASP HB+ 4.50 (# 670:20 Unique 2.53, 3.45 A) &rst ixpk= 670, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1736,1737, &end # # 0 AMB 20-2:671 0 AMB 20-1:671 3.50 (# 671:20 Double Ambig) &rst ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 747,1000,1001, igr2= 755, 756, 755, 756,1736,1737, &end # # 0 AMB 20-2:673 0 AMB 20-1:673 2.80 (# 673:20 Double Ambig) &rst ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1003,1004, 749, 750, 691, 692, igr2=1736,1737, 755, 756, 755, 756, 755, 756, &end # # 0 AMB 20-2:674 0 AMB 20-1:674 2.80 (# 674:20 Double Ambig) &rst ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 752, 753, 752, 753, 752, 753, igr2= 755, 756, 755, 756, 755, 756, &end # # 104 ASP HN 104 ASP HB- 4.50 (# 675:20 Unique 2.30, 2.76 A) &rst ixpk= 675, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1552,1553, &end # # 0 AMB 20-2:679 0 AMB 20-1:679 3.50 (# 679:20 Double Ambig) &rst ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=2249,2250,2251,1061,1062, igr2=1064,1065,1064,1065, &end # # 104 ASP HN 104 ASP HB+ 3.50 (# 680:20 Unique 2.30, 2.76 A) &rst ixpk= 680, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1552,1553, &end # # 8 VAL HB 62 ASP HB+ 3.50 (# 683:20 Unique 2.06, 2.92 A) &rst ixpk= 683, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 898, 899, &end # # 0 AMB 20-2:684 0 AMB 20-1:684 3.50 (# 684:20 Double Ambig) &rst ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1570,1571, 694, 695, igr2=1552,1553,1552,1553, &end # # 0 AMB 20-2:685 0 AMB 20-1:685 4.50 (# 685:20 Double Ambig) &rst ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52, igr1=1570,1571, 118, 119, 120, 122, 123, 124, igr2=1552,1553, 898, 899, &end # # 0 AMB 20-2:686 0 AMB 20-1:686 3.50 (# 686:20 Double Ambig) &rst ixpk= 686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384, 1385,1386,1573,1574,1575, igr2= 898, 899, 898, 899,1552,1553, &end # # 114 GLN HG+ 116 ASP HB- 4.50 (# 687:20 Unique 4.06, 5.80 A) &rst ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1708,1709, igr2=1736,1737, &end # # 8 VAL HB 62 ASP HB- 3.50 (# 689:20 Unique 2.06, 2.92 A) &rst ixpk= 689, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 898, 899, &end # # 62 ASP HA 62 ASP HB- 4.50 (# 690:20 Unique 2.50, 2.78 A) &rst ixpk= 690, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 898, 899, &end # # 0 AMB 20-2:692 62 ASP HB- 4.50 (# 692:20 Single Ambig) &rst ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384, 1385,1386, igr2= 898, 899, &end # # 53 LEU HN 53 LEU HB+ 4.50 (# 693:20 Unique 2.17, 2.98 A) &rst ixpk= 693, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 730, 731, &end # # 53 LEU HA 53 LEU HB+ 3.50 (# 694:20 Unique 2.48, 2.78 A) &rst ixpk= 694, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 730, 731, &end # # 0 AMB 20-2:697 0 AMB 20-1:697 2.80 (# 697:20 Double Ambig) &rst ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, 53, 54, 55, 57, 58, 59, igr2= 730, 731, 730, 731, 730, 731, &end # # 101 LEU HN 101 LEU HB- 4.50 (# 698:20 Unique 1.99, 3.01 A) &rst ixpk= 698, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1496,1497, &end # # 0 AMB 20-2:701 101 LEU HB- 3.50 (# 701:20 Single Ambig) &rst ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1573,1574,1575,1501,1502,1503,1505,1506,1507, igr2=1496,1497, &end # # 101 LEU HN 101 LEU HB+ 4.50 (# 702:20 Unique 1.99, 3.01 A) &rst ixpk= 702, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1496,1497, &end # # 101 LEU HA 101 LEU HB+ 4.50 (# 703:20 Unique 2.37, 2.75 A) &rst ixpk= 703, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1496,1497, &end # # 0 AMB 20-2:705 0 AMB 20-1:705 2.80 (# 705:20 Double Ambig) &rst ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1573,1574,1575,1501,1502,1503,1505,1506,1507, igr2=1496,1497,1496,1497, &end # # 0 AMB 20-2:707 0 AMB 20-1:707 3.50 (# 707:20 Double Ambig) &rst ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, 830, 831, 832, 834, 835, 836,1450,1451,1452,1607,1608, 1609,1611,1612,1613,1607,1608,1609,1611,1612,1613, igr2=1496,1497,1496,1497,1496,1497,1496,1497,1496,1497, 1496,1497, &end # # 53 LEU HN 53 LEU HB- 4.50 (# 708:20 Unique 2.17, 2.98 A) &rst ixpk= 708, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 730, 731, &end # # 53 LEU HA 53 LEU HB- 3.50 (# 709:20 Unique 2.48, 2.78 A) &rst ixpk= 709, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 730, 731, &end # # 0 AMB 20-2:712 53 LEU HB- 2.80 (# 712:20 Single Ambig) &rst ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, 53, 54, 55, 57, 58, 59, igr2= 730, 731, &end # # 16 ASP HN 16 ASP HB+ 3.50 (# 713:20 Unique 2.25, 2.48 A) &rst ixpk= 713, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 217, 218, &end # # 13 MET HB+ 16 ASP HB+ 4.50 (# 714:20 Unique 2.03, 3.35 A) &rst ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 181, 182, igr2= 217, 218, &end # # 0 AMB 20-2:715 0 AMB 20-1:715 3.50 (# 715:20 Double Ambig) &rst ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 181, 182, 188, 189, 190, igr2= 217, 218, 217, 218, &end # # 118 VAL MGY 16 ASP HB+ 3.50 (# 716:20 Unique 2.33, 4.02 A) &rst ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1769,1770,1771,1773,1774,1775, igr2= 217, 218, &end # # 16 ASP HN 16 ASP HB- 3.50 (# 717:20 Unique 2.25, 2.48 A) &rst ixpk= 717, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 217, 218, &end # # 13 MET HB+ 16 ASP HB- 4.50 (# 718:20 Unique 2.03, 3.35 A) &rst ixpk= 718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 181, 182, igr2= 217, 218, &end # # 0 AMB 20-2:719 16 ASP HB- 3.50 (# 719:20 Single Ambig) &rst ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 181, 182, 188, 189, 190, igr2= 217, 218, &end # # 118 VAL MGY 16 ASP HB- 3.50 (# 720:20 Unique 2.33, 4.02 A) &rst ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1769,1770,1771,1773,1774,1775, igr2= 217, 218, &end # # 138 ARG HA 138 ARG HD- 2.80 (# 721:20 Unique 2.08, 3.02 A) &rst ixpk= 721, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=2096,2097, &end # # 0 AMB 20-2:722 0 AMB 20-1:722 3.50 (# 722:20 Double Ambig) &rst ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, igr1=1135,1136,1135,1136,2090,2091,2090,2091,1132,1133, 1132,1133, igr2=1524,1525,1524,1525,2096,2097,1524,1525, &end # # 138 ARG HA 138 ARG HD+ 3.50 (# 723:20 Unique 2.08, 3.02 A) &rst ixpk= 723, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2096,2097, &end # # 0 AMB 20-2:724 0 AMB 20-1:724 3.50 (# 724:20 Double Ambig) &rst ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2090,2091,2090,2091, igr2=2096,2097,2096,2097, &end # # 138 ARG HG+ 138 ARG HD+ 3.50 (# 725:20 Unique 2.24, 2.62 A) &rst ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2093,2094, igr2=2096,2097, &end # # 0 AMB 20-2:727 31 LYS HE- 3.50 (# 727:20 Single Ambig) &rst ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 413, 414, 407, 408, igr2= 416, 417, &end # # 31 LYS HD+ 31 LYS HE- 4.50 (# 728:20 Unique 2.31, 2.72 A) &rst ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 413, 414, igr2= 416, 417, &end # # 0 AMB 20-2:729 31 LYS HE- 4.50 (# 729:20 Single Ambig) &rst ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 410, 411,2114,2115, igr2= 416, 417, &end # # 31 LYS HG- 31 LYS HE- 4.50 (# 730:20 Unique 2.32, 3.08 A) &rst ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 410, 411, igr2= 416, 417, &end # # 0 AMB 20-2:732 0 AMB 20-1:732 3.50 (# 732:20 Double Ambig) &rst ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 413, 414, 407, 408, igr2= 416, 417, 416, 417, &end # # 151 LEU HN 151 LEU HB+ 4.50 (# 733:20 Unique 2.26, 2.41 A) &rst ixpk= 733, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2276,2277, &end # # 0 AMB 20-2:735 0 AMB 20-1:735 3.50 (# 735:20 Double Ambig) &rst ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2279,1107,1108, igr2=2276,2277,2276,2277, &end # # 151 LEU MDX 151 LEU HB+ 2.80 (# 737:20 Unique 2.34, 3.33 A) &rst ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2281,2282,2283,2285,2286,2287, igr2=2276,2277, &end # # 151 LEU HN 151 LEU HB- 4.50 (# 738:20 Unique 2.26, 2.41 A) &rst ixpk= 738, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2276,2277, &end # # 0 AMB 20-2:740 151 LEU HB- 3.50 (# 740:20 Single Ambig) &rst ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2279,1107,1108, igr2=2276,2277, &end # # 151 LEU MDX 151 LEU HB- 3.50 (# 741:20 Unique 2.34, 3.33 A) &rst ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2281,2282,2283,2285,2286,2287, igr2=2276,2277, &end # # 0 AMB 20-2:742 0 AMB 20-1:742 4.50 (# 742:20 Double Ambig) &rst ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2076,2077,1394,1395,1394,1395, igr2=2096,2097,1524,1525,1524,1525, &end # # 0 AMB 20-2:743 0 AMB 20-1:743 4.50 (# 743:20 Double Ambig) &rst ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1605,1537,1538, igr2=1524,1525,1524,1525,1524,1525, &end # # 0 AMB 20-2:744 0 AMB 20-1:744 2.80 (# 744:20 Double Ambig) &rst ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=2093,2094,1521,1522,1521,1522,1521,1522, igr2=2096,2097,1524,1525,1524,1525,1524,1525, &end # # 102 LYS HG- 0 AMB 20-1:745 3.50 (# 745:20 Single Ambig) &rst ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1518,1519, igr2=1524,1525,1524,1525, &end # # 98 ILE QG2 0 AMB 20-1:746 4.50 (# 746:20 Single Ambig) &rst ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1450,1451,1452, igr2=1524,1525,1524,1525, &end # # 77 ASP HN 77 ASP HB+ 3.50 (# 747:20 Unique 2.29, 2.67 A) &rst ixpk= 747, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1120,1121, &end # # 0 AMB 20-2:750 0 AMB 20-1:750 3.50 (# 750:20 Double Ambig) &rst ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1953,1954,1866,1867, igr2=1956,1957,1956,1957, &end # # 129 LYS HD- 129 LYS HE+ 4.50 (# 751:20 Unique 2.43, 2.77 A) &rst ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1953,1954, igr2=1956,1957, &end # # 129 LYS HG+ 129 LYS HE+ 3.50 (# 752:20 Unique 2.29, 2.94 A) &rst ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1950,1951, igr2=1956,1957, &end # # 129 LYS HD- 129 LYS HE- 3.50 (# 753:20 Unique 2.43, 2.77 A) &rst ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1953,1954, igr2=1956,1957, &end # # 0 AMB 20-2:754 129 LYS HE- 3.50 (# 754:20 Single Ambig) &rst ixpk= 754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1953,1954,1866,1867, igr2=1956,1957, &end # # 0 AMB 20-2:755 129 LYS HE- 3.50 (# 755:20 Single Ambig) &rst ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1950,1951,1950,1951, igr2=1956,1957, &end # # 77 ASP HN 77 ASP HB- 3.50 (# 756:20 Unique 2.29, 2.67 A) &rst ixpk= 756, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1120,1121, &end # # 98 ILE HN 97 LEU HB- 4.50 (# 759:20 Unique 2.17, 3.33 A) &rst ixpk= 759, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1429,1430, &end # # 0 AMB 20-2:760 0 AMB 20-1:760 3.50 (# 760:20 Double Ambig) &rst ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1425,2110, igr2=1429,1430,2114,2115, &end # # 0 AMB 20-2:761 0 AMB 20-1:761 4.50 (# 761:20 Double Ambig) &rst ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, igr1= 584,1373, 427, 428, 427, 428,2131, igr2=1429,1430,2114,2115,2114,2115,2114,2115, &end # # 97 LEU HA 97 LEU HB- 4.50 (# 762:20 Unique 2.29, 2.69 A) &rst ixpk= 762, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1429,1430, &end # # 0 AMB 20-2:765 97 LEU HB- 2.80 (# 765:20 Single Ambig) &rst ixpk= 765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384, 1385,1386, igr2=1429,1430, &end # # 97 LEU HN 97 LEU HB+ 4.50 (# 767:20 Unique 1.86, 2.37 A) &rst ixpk= 767, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1429,1430, &end # # 97 LEU HA 97 LEU HB+ 3.50 (# 768:20 Unique 2.29, 2.69 A) &rst ixpk= 768, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1429,1430, &end # # 0 AMB 20-2:771 0 AMB 20-1:771 2.80 (# 771:20 Double Ambig) &rst ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384, 1385,1386, igr2=1429,1430,1429,1430, &end # # 94 LEU HA 94 LEU HB+ 3.50 (# 772:20 Unique 2.53, 2.85 A) &rst ixpk= 772, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1375,1376, &end # # 0 AMB 20-2:775 0 AMB 20-1:775 2.80 (# 775:20 Double Ambig) &rst ixpk= 775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=1380,1381,1382,1384,1385,1386,1380,1381,1382,1384, 1385,1386,1434,1435,1436,1438,1439,1440, igr2=1375,1376,1375,1376,1375,1376, &end # # 0 AMB 20-2:777 94 LEU HB- 2.80 (# 777:20 Single Ambig) &rst ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1380,1381,1382,1384,1385,1386,1434,1435,1436,1438, 1439,1440, igr2=1375,1376, &end # # 139 LEU MDX 139 LEU HB- 4.50 (# 780:20 Unique 2.32, 3.51 A) &rst ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2119,2120,2121,2123,2124,2125, igr2=2114,2115, &end # # 63 ALA HA 113 ILE HB 4.50 (# 781:20 Unique 2.30, 2.37 A) &rst ixpk= 781, nxpk= 20, iat= 908,1686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE HG1- 113 ILE HB 3.50 (# 782:20 Unique 2.56, 2.82 A) &rst ixpk= 782, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1692,1693, &end # # 113 ILE QG2 113 ILE HB 2.80 (# 784:20 Unique 2.44, 2.67 A) &rst ixpk= 784, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1688,1689,1690, &end # # 46 ASP HA 46 ASP HB+ 3.50 (# 785:20 Unique 2.62, 2.85 A) &rst ixpk= 785, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 615, 616, &end # # 49 ALA MB 46 ASP HB+ 4.50 (# 786:20 Unique 2.84, 4.95 A) &rst ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 662, 663, 664, igr2= 615, 616, &end # # 76 ILE QG2 80 ASP HB+ 3.50 (# 787:20 Unique 2.17, 4.07 A) &rst ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1103,1104,1105, igr2=1158,1159, &end # # 80 ASP HN 80 ASP HB+ 2.80 (# 788:20 Unique 2.45, 2.74 A) &rst ixpk= 788, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1158,1159, &end # # 80 ASP HA 80 ASP HB+ 2.80 (# 789:20 Unique 2.47, 2.77 A) &rst ixpk= 789, nxpk= 20, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1158,1159, &end # # 128 ILE QD1 15 ASP HB+ 3.50 (# 790:20 Unique 3.90, 5.07 A) &rst ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1937,1938,1939, igr2= 205, 206, &end # # 0 AMB 20-2:791 0 AMB 20-1:791 3.50 (# 791:20 Double Ambig) &rst ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1=1725,1726,1873,1874,1875, igr2= 205, 206, 205, 206, &end # # 46 ASP HN 46 ASP HB- 3.50 (# 792:20 Unique 2.22, 2.87 A) &rst ixpk= 792, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 615, 616, &end # # 0 AMB 20-2:794 0 AMB 20-1:794 3.50 (# 794:20 Double Ambig) &rst ixpk= 794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1=1103,1104,1105, 681, 682, 683, 678, 679, igr2=1158,1159, 615, 616, &end # # 0 AMB 20-2:795 109 ILE HB 4.50 (# 795:20 Single Ambig) &rst ixpk= 795, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1617,1636, &end # # 59 LEU HA 109 ILE HB 3.50 (# 796:20 Unique 2.17, 2.42 A) &rst ixpk= 796, nxpk= 20, iat= 842,1621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 109 ILE HG1+ 109 ILE HB 3.50 (# 798:20 Unique 2.64, 2.87 A) &rst ixpk= 798, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1627,1628, &end # # 0 AMB 20-2:799 109 ILE HB 2.80 (# 799:20 Single Ambig) &rst ixpk= 799, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1630,1631,1632,1623,1624,1625, &end # # 59 LEU MDY 109 ILE HB 3.50 (# 800:20 Unique 2.22, 4.38 A) &rst ixpk= 800, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:801 0 AMB 20-1:801 4.50 (# 801:20 Double Ambig) &rst ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 35, 47, igr2= 39, 40, 39, 40, &end # # 34 TRP HA 3 ASP HB+ 3.50 (# 802:20 Unique 2.29, 2.99 A) &rst ixpk= 802, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 39, 40, &end # # 3 ASP HA 3 ASP HB- 4.50 (# 804:20 Unique 2.50, 2.84 A) &rst ixpk= 804, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 39, 40, &end # # 34 TRP HA 3 ASP HB- 4.50 (# 806:20 Unique 2.29, 2.99 A) &rst ixpk= 806, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 39, 40, &end # # 0 AMB 20-2:807 15 ASP HB- 4.50 (# 807:20 Single Ambig) &rst ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1725,1726,1873,1874,1875, igr2= 205, 206, &end # # 0 AMB 20-2:808 15 ASP HB- 3.50 (# 808:20 Single Ambig) &rst ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1930,1931,1932,1769,1770,1771,1773,1774,1775, igr2= 205, 206, &end # # 133 GLU HA 0 AMB 20-1:809 3.50 (# 809:20 Single Ambig) &rst ixpk= 809, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 339, 340, 339, 340, &end # # 133 GLU HB- 0 AMB 20-1:810 4.50 (# 810:20 Single Ambig) &rst ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2007,2008, igr2= 339, 340, 339, 340, &end # # 25 LYS HG- 0 AMB 20-1:811 2.80 (# 811:20 Single Ambig) &rst ixpk= 811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 333, 334, igr2= 339, 340, 339, 340, &end # # 0 AMB 20-2:812 0 AMB 20-1:812 2.80 (# 812:20 Double Ambig) &rst ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 336, 337, 336, 337, igr2= 339, 340, 339, 340, &end # # 25 LYS HD- 0 AMB 20-1:813 2.80 (# 813:20 Single Ambig) &rst ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 336, 337, igr2= 339, 340, 339, 340, &end # # 21 LEU MDY 0 AMB 20-1:814 2.80 (# 814:20 Single Ambig) &rst ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 272, 273, 274, 276, 277, 278, igr2= 339, 340, 339, 340, &end # # 132 VAL MGX 0 AMB 20-1:815 2.80 (# 815:20 Single Ambig) &rst ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1993,1994,1995,1997,1998,1999, igr2= 339, 340, 339, 340, &end # # 0 AMB 20-2:816 0 AMB 20-1:816 3.50 (# 816:20 Double Ambig) &rst ixpk= 816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 263, 282, igr2= 267, 268, 267, 268, &end # # 21 LEU MDY 21 LEU HB+ 3.50 (# 819:20 Unique 2.34, 3.35 A) &rst ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 272, 273, 274, 276, 277, 278, igr2= 267, 268, &end # # 73 ILE HN 73 ILE HB 3.50 (# 820:20 Unique 2.30, 2.44 A) &rst ixpk= 820, nxpk= 20, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:821 21 LEU HB- 3.50 (# 821:20 Single Ambig) &rst ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 263, 282, igr2= 267, 268, &end # # 21 LEU HA 21 LEU HB- 3.50 (# 822:20 Unique 2.39, 2.72 A) &rst ixpk= 822, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 267, 268, &end # # 0 AMB 20-2:824 0 AMB 20-1:824 3.50 (# 824:20 Double Ambig) &rst ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1873,1874,1875,1045,1046, igr2= 267, 268,1039, &end # # 0 AMB 20-2:825 0 AMB 20-1:825 2.80 (# 825:20 Double Ambig) &rst ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1048,1049,1050, 272, 273, 274, 276, 277, 278, igr2=1039, 267, 268, &end # # 0 AMB 20-2:826 73 ILE HB 3.50 (# 826:20 Single Ambig) &rst ixpk= 826, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1045,1046,1665,1666,1667,1669,1670,1671, &end # # 73 ILE QG2 73 ILE HB 2.80 (# 827:20 Unique 2.36, 2.64 A) &rst ixpk= 827, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1041,1042,1043, &end # # 99 ASP HN 99 ASP HB+ 2.80 (# 828:20 Unique 2.33, 2.51 A) &rst ixpk= 828, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1467,1468, &end # # 0 AMB 20-2:829 0 AMB 20-1:829 4.50 (# 829:20 Double Ambig) &rst ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1475,1399,1400, igr2=1467,1468,1467,1468, &end # # 79 ASP HA 79 ASP HB- 2.80 (# 832:20 Unique 2.47, 2.76 A) &rst ixpk= 832, nxpk= 20, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1146,1147, &end # # 99 ASP HN 99 ASP HB- 2.80 (# 833:20 Unique 2.33, 2.51 A) &rst ixpk= 833, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1467,1468, &end # # 0 AMB 20-2:834 99 ASP HB- 4.50 (# 834:20 Single Ambig) &rst ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1475,1399,1400, igr2=1467,1468, &end # # 99 ASP HA 99 ASP HB- 2.80 (# 835:20 Unique 2.36, 2.73 A) &rst ixpk= 835, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1467,1468, &end # # 0 AMB 20-2:836 99 ASP HB- 3.50 (# 836:20 Single Ambig) &rst ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1482,1483,1135,1136,1479,1480,1479,1480, igr2=1467,1468, &end # # 0 AMB 20-2:837 110 PHE HB- 3.50 (# 837:20 Single Ambig) &rst ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1457,1458,1459, 872, 873, 874, igr2=1640,1641, &end # # 37 ILE HN 37 ILE HB 4.50 (# 838:20 Unique 2.51, 2.64 A) &rst ixpk= 838, nxpk= 20, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 LEU HA 37 ILE HB 3.50 (# 839:20 Unique 2.41, 2.55 A) &rst ixpk= 839, nxpk= 20, iat= 84, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 37 ILE HG1+ 37 ILE HB 3.50 (# 840:20 Unique 2.39, 2.73 A) &rst ixpk= 840, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 37 ILE HG1- 37 ILE HB 3.50 (# 841:20 Unique 2.39, 2.73 A) &rst ixpk= 841, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 0 AMB 20-2:842 37 ILE HB 3.50 (# 842:20 Single Ambig) &rst ixpk= 842, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 91, 92, 93, 95, 96, 97, 674, 675, 676, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:843 37 ILE HB 2.80 (# 843:20 Single Ambig) &rst ixpk= 843, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 508, 509, 510, 515, 516, 517, 91, 92, 93, 95, 96, 97, &end # # 60 ILE HN 60 ILE HB 3.50 (# 844:20 Unique 2.58, 2.72 A) &rst ixpk= 844, nxpk= 20, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 110 PHE HA 60 ILE HB 3.50 (# 845:20 Unique 2.11, 2.20 A) &rst ixpk= 845, nxpk= 20, iat=1638, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:846 60 ILE HB 3.50 (# 846:20 Single Ambig) &rst ixpk= 846, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 872, 873, 874,1457,1458,1459, &end # # 22 LEU HN 22 LEU HB- 4.50 (# 847:20 Unique 2.00, 2.68 A) &rst ixpk= 847, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 286, 287, &end # # 0 AMB 20-2:849 22 LEU HB- 3.50 (# 849:20 Single Ambig) &rst ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, igr2= 286, 287, &end # # 0 AMB 20-2:850 22 LEU HB- 2.80 (# 850:20 Single Ambig) &rst ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297,2038,2039,2040,2042,2043,2044, igr2= 286, 287, &end # # 148 PHE HD 148 PHE HB+ 3.50 (# 853:20 Unique 2.42, 3.11 A) &rst ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2233,2241, igr2=2229,2230, &end # # 148 PHE HA 148 PHE HB+ 3.50 (# 854:20 Unique 2.50, 2.79 A) &rst ixpk= 854, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2229,2230, &end # # 75 ILE HG1+ 148 PHE HB+ 4.50 (# 855:20 Unique 2.45, 3.22 A) &rst ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1088,1089, igr2=2229,2230, &end # # 148 PHE HD 148 PHE HB- 4.50 (# 856:20 Unique 2.42, 3.11 A) &rst ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2233,2241, igr2=2229,2230, &end # # 148 PHE HN 148 PHE HB- 4.50 (# 857:20 Unique 2.24, 2.91 A) &rst ixpk= 857, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2229,2230, &end # # 75 ILE QD1 148 PHE HB- 4.50 (# 858:20 Unique 2.18, 3.39 A) &rst ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1091,1092,1093, igr2=2229,2230, &end # # 65 ASP HN 65 ASP HB+ 3.50 (# 859:20 Unique 2.42, 2.55 A) &rst ixpk= 859, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 934, 935, &end # # 130 ASP HN 0 AMB 20-1:861 3.50 (# 861:20 Single Ambig) &rst ixpk= 861, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1969,1970,1969,1970, &end # # 0 AMB 20-2:862 0 AMB 20-1:862 2.80 (# 862:20 Double Ambig) &rst ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1144,1920, igr2=1146,1147,1969,1970,1969,1970, &end # # 79 ASP HN 79 ASP HB- 3.50 (# 863:20 Unique 2.46, 2.52 A) &rst ixpk= 863, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1146,1147, &end # # 10 ASN HN 10 ASN HB- 3.50 (# 864:20 Unique 2.55, 2.83 A) &rst ixpk= 864, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 139, 140, &end # # 110 PHE HA 110 PHE HB- 4.50 (# 865:20 Unique 2.55, 2.82 A) &rst ixpk= 865, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1640,1641, &end # # 76 ILE HN 76 ILE HB 3.50 (# 867:20 Unique 2.89, 3.02 A) &rst ixpk= 867, nxpk= 20, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE HN 105 ILE HB 3.50 (# 868:20 Unique 2.27, 2.36 A) &rst ixpk= 868, nxpk= 20, iat=1560,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE HA 105 ILE HB 3.50 (# 869:20 Unique 3.03, 3.04 A) &rst ixpk= 869, nxpk= 20, iat=1562,1564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE QG2 105 ILE HB 2.80 (# 870:20 Unique 2.43, 2.66 A) &rst ixpk= 870, nxpk= 20, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1566,1567,1568, &end # # 10 ASN HN 10 ASN HB+ 3.50 (# 871:20 Unique 2.55, 2.83 A) &rst ixpk= 871, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 139, 140, &end # # 13 MET HB+ 10 ASN HB+ 3.50 (# 873:20 Unique 2.33, 3.42 A) &rst ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 181, 182, igr2= 139, 140, &end # # 13 MET HB- 10 ASN HB+ 3.50 (# 874:20 Unique 2.33, 3.42 A) &rst ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 181, 182, igr2= 139, 140, &end # # 0 AMB 20-2:875 0 AMB 20-1:875 3.50 (# 875:20 Double Ambig) &rst ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 521, 101, igr2= 525, 526, 525, 526, &end # # 23 ALA MB 38 ASP HB+ 3.50 (# 877:20 Unique 2.32, 3.76 A) &rst ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 305, 306, 307, igr2= 525, 526, &end # # 131 ALA HN 0 AMB 20-1:878 4.50 (# 878:20 Single Ambig) &rst ixpk= 878, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1969,1970,1969,1970, &end # # 13 MET HB- 10 ASN HB- 3.50 (# 880:20 Unique 2.33, 3.42 A) &rst ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 181, 182, igr2= 139, 140, &end # # 0 AMB 20-2:881 38 ASP HB- 3.50 (# 881:20 Single Ambig) &rst ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 521, 101, igr2= 525, 526, &end # # 38 ASP HA 38 ASP HB- 3.50 (# 882:20 Unique 2.34, 2.69 A) &rst ixpk= 882, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 525, 526, &end # # 23 ALA MB 38 ASP HB- 3.50 (# 884:20 Unique 2.32, 3.76 A) &rst ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 305, 306, 307, igr2= 525, 526, &end # # 117 ILE HN 117 ILE HB 4.50 (# 885:20 Unique 3.03, 3.71 A) &rst ixpk= 885, nxpk= 20, iat=1744,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE HA 117 ILE HB 4.50 (# 886:20 Unique 2.21, 2.27 A) &rst ixpk= 886, nxpk= 20, iat=1746,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 117 ILE HG1+ 117 ILE HB 3.50 (# 887:20 Unique 2.35, 2.81 A) &rst ixpk= 887, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1754,1755, &end # # 117 ILE HG1- 117 ILE HB 3.50 (# 888:20 Unique 2.35, 2.81 A) &rst ixpk= 888, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1754,1755, &end # # 117 ILE QD1 117 ILE HB 3.50 (# 889:20 Unique 2.42, 2.97 A) &rst ixpk= 889, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1757,1758,1759, &end # # 120 PHE HN 120 PHE HB- 2.80 (# 890:20 Unique 2.39, 3.03 A) &rst ixpk= 890, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1790,1791, &end # # 136 TYR HN 136 TYR HB+ 4.50 (# 891:20 Unique 2.07, 2.47 A) &rst ixpk= 891, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2052,2053, &end # # 0 AMB 20-2:892 0 AMB 20-1:892 3.50 (# 892:20 Double Ambig) &rst ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2056,2065,2164, igr2=2052,2053,2201,2202, &end # # 133 GLU HA 136 TYR HB+ 4.50 (# 893:20 Unique 2.17, 3.00 A) &rst ixpk= 893, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2052,2053, &end # # 0 AMB 20-2:894 0 AMB 20-1:894 4.50 (# 894:20 Double Ambig) &rst ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1088,1089, 330, 331, igr2=2201,2202,2052,2053, &end # # 0 AMB 20-2:895 0 AMB 20-1:895 3.50 (# 895:20 Double Ambig) &rst ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 291, 292, 293, 295, 296, 297,1084,1085,1086,1623, 1624,1625, igr2=2052,2053,2201,2202,2201,2202, &end # # 145 ASN HA 145 ASN HB+ 4.50 (# 896:20 Unique 2.36, 2.80 A) &rst ixpk= 896, nxpk= 20, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2201,2202, &end # # 85 PHE HD 85 PHE HB+ 3.50 (# 898:20 Unique 2.39, 3.07 A) &rst ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1235,1243, igr2=1231,1232, &end # # 0 AMB 20-2:900 0 AMB 20-1:900 4.50 (# 900:20 Double Ambig) &rst ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1227,1247, igr2=1231,1232,1231,1232, &end # # 85 PHE HA 85 PHE HB+ 3.50 (# 901:20 Unique 2.70, 2.87 A) &rst ixpk= 901, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1231,1232, &end # # 145 ASN HA 145 ASN HB- 3.50 (# 902:20 Unique 2.36, 2.80 A) &rst ixpk= 902, nxpk= 20, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2201,2202, &end # # 85 PHE HN 85 PHE HB- 2.80 (# 904:20 Unique 2.09, 2.74 A) &rst ixpk= 904, nxpk= 20, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1231,1232, &end # # 85 PHE HD 85 PHE HB- 3.50 (# 905:20 Unique 2.39, 3.07 A) &rst ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1235,1243, igr2=1231,1232, &end # # 136 TYR HN 136 TYR HB- 3.50 (# 907:20 Unique 2.07, 2.47 A) &rst ixpk= 907, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2052,2053, &end # # 136 TYR HD 136 TYR HB- 3.50 (# 908:20 Unique 2.33, 3.08 A) &rst ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2056,2065, igr2=2052,2053, &end # # 133 GLU HA 136 TYR HB- 4.50 (# 909:20 Unique 2.17, 3.00 A) &rst ixpk= 909, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2052,2053, &end # # 136 TYR HA 136 TYR HB- 3.50 (# 910:20 Unique 2.22, 2.68 A) &rst ixpk= 910, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2052,2053, &end # # 22 LEU MDY 136 TYR HB- 3.50 (# 911:20 Unique 2.31, 4.92 A) &rst ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 291, 292, 293, 295, 296, 297, igr2=2052,2053, &end # # 33 ASN HA 33 ASN HB+ 2.80 (# 912:20 Unique 2.20, 2.72 A) &rst ixpk= 912, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 436, 437, &end # # 120 PHE HD 120 PHE HB- 4.50 (# 914:20 Unique 2.40, 3.08 A) &rst ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1794,1802, igr2=1790,1791, &end # # 120 PHE HA 120 PHE HB- 4.50 (# 915:20 Unique 2.39, 2.71 A) &rst ixpk= 915, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1790,1791, &end # # 120 PHE HN 120 PHE HB+ 2.80 (# 916:20 Unique 2.39, 3.03 A) &rst ixpk= 916, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1790,1791, &end # # 120 PHE HD 120 PHE HB+ 3.50 (# 917:20 Unique 2.40, 3.08 A) &rst ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1794,1802, igr2=1790,1791, &end # # 120 PHE HA 120 PHE HB+ 2.80 (# 918:20 Unique 2.39, 2.71 A) &rst ixpk= 918, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1790,1791, &end # # 33 ASN HD2- 33 ASN HB- 4.50 (# 919:20 Unique 2.27, 3.37 A) &rst ixpk= 919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 441, 442, igr2= 436, 437, &end # # 33 ASN HA 33 ASN HB- 3.50 (# 920:20 Unique 2.20, 2.72 A) &rst ixpk= 920, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 436, 437, &end # # 45 ASN HD2+ 45 ASN HB- 4.50 (# 922:20 Unique 2.30, 3.44 A) &rst ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 606, 607, igr2= 601, 602, &end # # 45 ASN HA 45 ASN HB- 3.50 (# 923:20 Unique 2.23, 2.56 A) &rst ixpk= 923, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 601, 602, &end # # 45 ASN HN 45 ASN HB+ 2.80 (# 924:20 Unique 2.12, 2.85 A) &rst ixpk= 924, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 601, 602, &end # # 45 ASN HD2+ 45 ASN HB+ 4.50 (# 925:20 Unique 2.30, 3.44 A) &rst ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 606, 607, igr2= 601, 602, &end # # 45 ASN HA 45 ASN HB+ 3.50 (# 926:20 Unique 2.23, 2.56 A) &rst ixpk= 926, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 601, 602, &end # # 69 ASN HN 72 GLU HG+ 4.50 (# 927:20 Unique 2.11, 2.84 A) &rst ixpk= 927, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1027,1028, &end # # 72 GLU HN 72 GLU HG+ 4.50 (# 928:20 Unique 2.75, 3.34 A) &rst ixpk= 928, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1027,1028, &end # # 72 GLU HA 72 GLU HG+ 4.50 (# 929:20 Unique 2.59, 3.19 A) &rst ixpk= 929, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1027,1028, &end # # 72 GLU HB+ 72 GLU HG+ 2.80 (# 931:20 Unique 2.24, 2.62 A) &rst ixpk= 931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1024,1025, igr2=1027,1028, &end # # 68 LEU HB+ 72 GLU HG+ 4.50 (# 932:20 Unique 2.25, 3.31 A) &rst ixpk= 932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 970, 971, igr2=1027,1028, &end # # 0 AMB 20-2:933 0 AMB 20-1:933 4.50 (# 933:20 Double Ambig) &rst ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2=1027,1028,1027,1028, &end # # 72 GLU HN 72 GLU HG- 3.50 (# 934:20 Unique 2.75, 3.34 A) &rst ixpk= 934, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1027,1028, &end # # 72 GLU HA 72 GLU HG- 3.50 (# 935:20 Unique 2.59, 3.19 A) &rst ixpk= 935, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1027,1028, &end # # 0 AMB 20-2:936 72 GLU HG- 3.50 (# 936:20 Single Ambig) &rst ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 989, 990, 989, 990, igr2=1027,1028, &end # # 72 GLU HB+ 72 GLU HG- 2.80 (# 938:20 Unique 2.24, 2.62 A) &rst ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1024,1025, igr2=1027,1028, &end # # 47 ILE HN 47 ILE HB 2.80 (# 939:20 Unique 2.31, 2.35 A) &rst ixpk= 939, nxpk= 20, iat= 623, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 81 ILE HN 81 ILE HB 3.50 (# 940:20 Unique 2.23, 2.38 A) &rst ixpk= 940, nxpk= 20, iat=1166,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE HA 81 ILE HB 3.50 (# 941:20 Unique 3.02, 3.04 A) &rst ixpk= 941, nxpk= 20, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE QG2 81 ILE HB 2.80 (# 942:20 Unique 2.33, 2.66 A) &rst ixpk= 942, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1172,1173,1174, &end # # 96 TYR HN 0 AMB 20-1:943 2.80 (# 943:20 Single Ambig) &rst ixpk= 943, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1408,1409,1408,1409, &end # # 96 TYR HD 0 AMB 20-1:944 2.80 (# 944:20 Single Ambig) &rst ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1412,1421, igr2=1408,1409,1408,1409, &end # # 96 TYR HA 0 AMB 20-1:945 2.80 (# 945:20 Single Ambig) &rst ixpk= 945, nxpk= 20, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=1408,1409,1408,1409, &end # # 0 AMB 20-2:946 0 AMB 20-1:946 3.50 (# 946:20 Double Ambig) &rst ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1=1361,1362,1361,1362,1361,1362,1364,1365, igr2=1408,1409,1408,1409,1408,1409,1408,1409, &end # # 122 TYR HN 122 TYR HB+ 4.50 (# 947:20 Unique 2.20, 2.95 A) &rst ixpk= 947, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1831,1832, &end # # 95 ASN HN 95 ASN HB+ 4.50 (# 948:20 Unique 2.24, 2.93 A) &rst ixpk= 948, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1394,1395, &end # # 122 TYR HN 122 TYR HB- 3.50 (# 949:20 Unique 2.20, 2.95 A) &rst ixpk= 949, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1831,1832, &end # # 122 TYR HA 122 TYR HB- 3.50 (# 950:20 Unique 2.46, 2.79 A) &rst ixpk= 950, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1831,1832, &end # # 33 ASN HN 33 ASN HA 4.50 (# 952:20 Unique 2.17, 2.62 A) &rst ixpk= 952, nxpk= 20, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:953 0 AMB 20-1:953 2.80 (# 953:20 Double Ambig) &rst ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 625, 670, igr2= 672, 627, &end # # 0 AMB 20-2:954 0 AMB 20-1:954 2.80 (# 954:20 Double Ambig) &rst ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1501,1502,1503,1505,1506,1507,1450,1451,1452, 636, 637, 638, 629, 630, 631,1454,1455, igr2= 672,1448, 627, &end # # 51 ARG HN 50 ILE HB 4.50 (# 955:20 Unique 2.37, 2.44 A) &rst ixpk= 955, nxpk= 20, iat= 687, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 50 ILE HN 50 ILE HB 2.80 (# 956:20 Unique 2.44, 2.53 A) &rst ixpk= 956, nxpk= 20, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 95 ASN HA 98 ILE HB 4.50 (# 957:20 Unique 2.17, 2.42 A) &rst ixpk= 957, nxpk= 20, iat=1392,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 ALA HN 81 ILE HB 3.50 (# 958:20 Unique 2.47, 2.60 A) &rst ixpk= 958, nxpk= 20, iat=1185,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 81 ILE QD1 81 ILE HB 3.50 (# 959:20 Unique 2.47, 3.19 A) &rst ixpk= 959, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1179,1180,1181, &end # # 31 LYS HA 31 LYS HB+ 4.50 (# 960:20 Unique 2.21, 2.74 A) &rst ixpk= 960, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 407, 408, &end # # 0 AMB 20-2:963 0 AMB 20-1:963 3.50 (# 963:20 Double Ambig) &rst ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2114,2115, 410, 411, igr2= 407, 408, 407, 408, &end # # 31 LYS HG- 31 LYS HB+ 3.50 (# 964:20 Unique 2.28, 2.61 A) &rst ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 410, 411, igr2= 407, 408, &end # # 31 LYS HA 31 LYS HB- 4.50 (# 965:20 Unique 2.21, 2.74 A) &rst ixpk= 965, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 407, 408, &end # # 139 LEU HB- 31 LYS HB- 3.50 (# 968:20 Unique 2.15, 2.70 A) &rst ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2114,2115, igr2= 407, 408, &end # # 31 LYS HG- 31 LYS HB- 4.50 (# 969:20 Unique 2.28, 2.61 A) &rst ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 410, 411, igr2= 407, 408, &end # # 0 AMB 20-2:970 0 AMB 20-1:970 3.50 (# 970:20 Double Ambig) &rst ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1392,1138, igr2=1394,1395,1394,1395, &end # # 69 ASN HD2- 0 AMB 20-1:971 3.50 (# 971:20 Single Ambig) &rst ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 994, 995, igr2= 989, 990, 989, 990, &end # # 69 ASN HN 0 AMB 20-1:972 3.50 (# 972:20 Single Ambig) &rst ixpk= 972, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 989, 990, 989, 990, &end # # 69 ASN HA 0 AMB 20-1:973 2.80 (# 973:20 Single Ambig) &rst ixpk= 973, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 989, 990, 989, 990, &end # # 0 AMB 20-2:974 0 AMB 20-1:974 3.50 (# 974:20 Double Ambig) &rst ixpk= 974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1000,1001,1000,1001, igr2= 989, 990, 989, 990, &end # # 70 PRO HD- 0 AMB 20-1:975 3.50 (# 975:20 Single Ambig) &rst ixpk= 975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1000,1001, igr2= 989, 990, 989, 990, &end # # 72 GLU HG- 0 AMB 20-1:976 3.50 (# 976:20 Single Ambig) &rst ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1027,1028, igr2= 989, 990, 989, 990, &end # # 0 AMB 20-2:977 95 ASN HB- 3.50 (# 977:20 Single Ambig) &rst ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1392,1138, igr2=1394,1395, &end # # 75 ILE HN 75 ILE HB 4.50 (# 978:20 Unique 2.23, 2.26 A) &rst ixpk= 978, nxpk= 20, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:979 75 ILE HB 2.80 (# 979:20 Single Ambig) &rst ixpk= 979, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2257,1080, &end # # 75 ILE HG1+ 75 ILE HB 3.50 (# 980:20 Unique 2.28, 2.40 A) &rst ixpk= 980, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1088,1089, &end # # 75 ILE QG2 75 ILE HB 2.80 (# 981:20 Unique 2.38, 2.63 A) &rst ixpk= 981, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1084,1085,1086, &end # # 52 GLU HN 52 GLU HG- 3.50 (# 982:20 Unique 2.75, 3.39 A) &rst ixpk= 982, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 718, 719, &end # # 0 AMB 20-2:983 52 GLU HG- 3.50 (# 983:20 Single Ambig) &rst ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 660, 713, igr2= 718, 719, &end # # 0 AMB 20-2:985 52 GLU HG- 2.80 (# 985:20 Single Ambig) &rst ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 715, 716, 715, 716, igr2= 718, 719, &end # # 0 AMB 20-2:986 52 GLU HG- 3.50 (# 986:20 Single Ambig) &rst ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739, 740, 741, igr2= 718, 719, &end # # 0 AMB 20-2:987 0 AMB 20-1:987 2.80 (# 987:20 Double Ambig) &rst ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 660, 713, igr2= 718, 719, 718, 719, &end # # 103 GLU HN 103 GLU HG+ 3.50 (# 988:20 Unique 2.03, 2.90 A) &rst ixpk= 988, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1540,1541, &end # # 0 AMB 20-2:989 0 AMB 20-1:989 3.50 (# 989:20 Double Ambig) &rst ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1197,1535, igr2=1202,1203,1540,1541, &end # # 0 AMB 20-2:990 0 AMB 20-1:990 4.50 (# 990:20 Double Ambig) &rst ixpk= 990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2129,2175, igr2=2136,2137,2182,2183, &end # # 0 AMB 20-2:991 0 AMB 20-1:991 3.50 (# 991:20 Double Ambig) &rst ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1477, 313, igr2=1540,1541, 318, 319, &end # # 0 AMB 20-2:992 0 AMB 20-1:992 4.50 (# 992:20 Double Ambig) &rst ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1=1518,1519, 407, 408, 333, 334, 373, 374, 375, igr2=1540,1541,2136,2137, 318, 319, 318, 319, &end # # 154 GLU HA 0 AMB 20-1:994 4.50 (# 994:20 Single Ambig) &rst ixpk= 994, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2339,2340,2339,2340, &end # # 154 GLU HN 0 AMB 20-1:995 4.50 (# 995:20 Single Ambig) &rst ixpk= 995, nxpk= 20, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2324,2325,2324,2325, &end # # 103 GLU HN 103 GLU HG- 3.50 (# 996:20 Unique 2.03, 2.90 A) &rst ixpk= 996, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1540,1541, &end # # 107 GLU HA 107 GLU HG+ 3.50 (# 997:20 Unique 2.31, 3.19 A) &rst ixpk= 997, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1593,1594, &end # # 0 AMB 20-2:998 0 AMB 20-1:998 5.50 (# 998:20 Double Ambig) &rst ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2319,2334, igr2=2324,2325,2324,2325,2324,2325, &end # # 0 AMB 20-2:999 0 AMB 20-1:999 2.80 (# 999:20 Double Ambig) &rst ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2349,1535, igr2=2354,2355,2354,2355,1540,1541, &end # # 107 GLU HA 107 GLU HG- 3.50 (# 1000:20 Unique 2.31, 3.19 A) &rst ixpk= 1000, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1593,1594, &end # # 24 GLU HN 24 GLU HG- 4.50 (# 1001:20 Unique 4.10, 4.27 A) &rst ixpk= 1001, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 318, 319, &end # # 128 ILE HN 128 ILE HB 4.50 (# 1002:20 Unique 2.21, 2.25 A) &rst ixpk= 1002, nxpk= 20, iat=1924,1928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 GLU HA 24 GLU HG- 3.50 (# 1003:20 Unique 2.59, 3.15 A) &rst ixpk= 1003, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 318, 319, &end # # 0 AMB 20-2:1004 107 GLU HG- 2.80 (# 1004:20 Single Ambig) &rst ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1590,1591, 801, 802, igr2=1593,1594, &end # # 128 ILE QG2 128 ILE HB 2.80 (# 1005:20 Unique 2.39, 2.65 A) &rst ixpk= 1005, nxpk= 20, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1930,1931,1932, &end # # 128 ILE QG2 128 ILE HG1- 2.80 (# 1006:20 Unique 2.29, 2.97 A) &rst ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1930,1931,1932, igr2=1934,1935, &end # # 109 ILE HG1- 107 GLU HG- 4.50 (# 1009:20 Unique 2.17, 3.39 A) &rst ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1627,1628, igr2=1593,1594, &end # # 121 TYR HD 121 TYR HB+ 4.50 (# 1010:20 Unique 2.37, 3.08 A) &rst ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1814,1823, igr2=1810,1811, &end # # 121 TYR HA 121 TYR HB+ 3.50 (# 1011:20 Unique 2.35, 2.71 A) &rst ixpk= 1011, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1810,1811, &end # # 121 TYR HD 121 TYR HB- 4.50 (# 1014:20 Unique 2.37, 3.08 A) &rst ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1814,1823, igr2=1810,1811, &end # # 121 TYR HA 121 TYR HB- 3.50 (# 1015:20 Unique 2.35, 2.71 A) &rst ixpk= 1015, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1810,1811, &end # # 0 AMB 20-2:1017 0 AMB 20-1:1017 4.50 (# 1017:20 Double Ambig) &rst ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2177, 405, igr2=2182,2183,2136,2137, &end # # 0 AMB 20-2:1018 0 AMB 20-1:1018 3.50 (# 1018:20 Double Ambig) &rst ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=2129,2347,2175, igr2=2136,2137,2324,2325,2324,2325,2182,2183, &end # # 0 AMB 20-2:1020 0 AMB 20-1:1020 3.50 (# 1020:20 Double Ambig) &rst ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1061,1062,1107,1108,2279, igr2=1058,1059,1058,1059,1058,1059, &end # # 0 AMB 20-2:1022 74 ARG HB- 4.50 (# 1022:20 Single Ambig) &rst ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1061,1062,1107,1108,2279, igr2=1058,1059, &end # # 8 VAL HN 8 VAL HB 4.50 (# 1023:20 Unique 2.70, 2.77 A) &rst ixpk= 1023, nxpk= 20, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:1024 0 AMB 20-1:1024 2.80 (# 1024:20 Double Ambig) &rst ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 118, 119, 120, 122, 123, 124,1573,1574,1575, 678, 679, igr2= 116, 51, &end # # 4 VAL HN 4 VAL HB 3.50 (# 1025:20 Unique 2.53, 2.73 A) &rst ixpk= 1025, nxpk= 20, iat= 47, 51, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 VAL MGY 4 VAL HB 2.80 (# 1026:20 Unique 2.38, 2.67 A) &rst ixpk= 1026, nxpk= 20, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 53, 54, 55, 57, 58, 59, &end # # 66 MET HA 66 MET HB+ 4.50 (# 1027:20 Unique 2.46, 2.77 A) &rst ixpk= 1027, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 946, 947, &end # # 68 LEU HG 66 MET HB+ 4.50 (# 1029:20 Unique 2.24, 2.33 A) &rst ixpk= 1029, nxpk= 20, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 946, 947, &end # # 0 AMB 20-2:1030 0 AMB 20-1:1030 3.50 (# 1030:20 Double Ambig) &rst ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 946, 947, 946, 947, 946, 947, &end # # 151 LEU MDY 66 MET HB+ 3.50 (# 1031:20 Unique 2.20, 4.39 A) &rst ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2281,2282,2283,2285,2286,2287, igr2= 946, 947, &end # # 0 AMB 20-2:1033 66 MET HB- 3.50 (# 1033:20 Single Ambig) &rst ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 946, 947, &end # # 100 GLN HE2- 100 GLN HG- 4.50 (# 1034:20 Unique 2.03, 3.45 A) &rst ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1487,1488, igr2=1482,1483, &end # # 100 GLN HA 100 GLN HG- 3.50 (# 1035:20 Unique 2.19, 3.11 A) &rst ixpk= 1035, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1482,1483, &end # # 124 MET HN 124 MET HB+ 3.50 (# 1036:20 Unique 2.26, 2.53 A) &rst ixpk= 1036, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1866,1867, &end # # 0 AMB 20-2:1037 0 AMB 20-1:1037 4.50 (# 1037:20 Double Ambig) &rst ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1869,1870,1956,1957,1467,1468, igr2=1866,1867,1866,1867,1482,1483, &end # # 0 AMB 20-2:1038 0 AMB 20-1:1038 3.50 (# 1038:20 Double Ambig) &rst ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1869,1870,1956,1957, igr2=1866,1867,1866,1867, &end # # 22 LEU MDX 61 VAL HB 4.50 (# 1041:20 Unique 2.17, 4.19 A) &rst ixpk= 1041, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 291, 292, 293, 295, 296, 297, &end # # 61 VAL MGX 61 VAL HB 3.50 (# 1042:20 Unique 2.35, 2.66 A) &rst ixpk= 1042, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 884, 885, 886, 888, 889, 890, &end # # 61 VAL MGY 61 VAL HB 3.50 (# 1043:20 Unique 2.35, 2.66 A) &rst ixpk= 1043, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 884, 885, 886, 888, 889, 890, &end # # 124 MET HN 124 MET HB- 3.50 (# 1044:20 Unique 2.26, 2.53 A) &rst ixpk= 1044, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1866,1867, &end # # 0 AMB 20-2:1045 124 MET HB- 3.50 (# 1045:20 Single Ambig) &rst ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1869,1870,1956,1957, igr2=1866,1867, &end # # 0 AMB 20-2:1046 124 MET HB- 4.50 (# 1046:20 Single Ambig) &rst ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1869,1870,1956,1957, igr2=1866,1867, &end # # 124 MET ME 124 MET HB- 3.50 (# 1048:20 Unique 2.22, 3.56 A) &rst ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1873,1874,1875, igr2=1866,1867, &end # # 151 LEU HN 150 GLN HG+ 4.50 (# 1049:20 Unique 3.24, 4.19 A) &rst ixpk= 1049, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2262,2263, &end # # 150 GLN HN 150 GLN HG+ 4.50 (# 1050:20 Unique 2.75, 4.32 A) &rst ixpk= 1050, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2262,2263, &end # # 150 GLN HE2- 150 GLN HG+ 3.50 (# 1051:20 Unique 2.29, 3.40 A) &rst ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2267,2268, igr2=2262,2263, &end # # 150 GLN HA 150 GLN HG+ 3.50 (# 1052:20 Unique 2.21, 2.89 A) &rst ixpk= 1052, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2262,2263, &end # # 0 AMB 20-2:1053 0 AMB 20-1:1053 2.80 (# 1053:20 Double Ambig) &rst ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=2259,2260,2259,2260, igr2=2262,2263,2262,2263, &end # # 75 ILE HB 150 GLN HG+ 2.80 (# 1054:20 Unique 2.12, 2.99 A) &rst ixpk= 1054, nxpk= 20, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=2262,2263, &end # # 0 AMB 20-2:1055 0 AMB 20-1:1055 4.50 (# 1055:20 Double Ambig) &rst ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1088,1089,2249,2250,2251, igr2=2262,2263,2262,2263, &end # # 75 ILE QG2 150 GLN HG+ 2.80 (# 1056:20 Unique 2.23, 3.56 A) &rst ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1084,1085,1086, igr2=2262,2263, &end # # 0 AMB 20-2:1057 100 GLN HG- 3.50 (# 1057:20 Single Ambig) &rst ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1475,1492, igr2=1482,1483, &end # # 118 VAL HA 118 VAL HB 3.50 (# 1058:20 Unique 2.55, 3.02 A) &rst ixpk= 1058, nxpk= 20, iat=1765,1767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1059 0 AMB 20-1:1059 4.50 (# 1059:20 Double Ambig) &rst ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1475,1492, igr2=1482,1483,1482,1483, &end # # 100 GLN HA 100 GLN HG+ 3.50 (# 1060:20 Unique 2.19, 3.11 A) &rst ixpk= 1060, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1482,1483, &end # # 0 AMB 20-2:1061 0 AMB 20-1:1061 3.50 (# 1061:20 Double Ambig) &rst ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1905,1906,1905,1906, igr2=1900,1901,1900,1901, &end # # 118 VAL HN 118 VAL HB 3.50 (# 1062:20 Unique 1.95, 2.74 A) &rst ixpk= 1062, nxpk= 20, iat=1763,1767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1063 0 AMB 20-1:1063 2.80 (# 1063:20 Double Ambig) &rst ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 985,1601, igr2=1708,1709,1605, &end # # 0 AMB 20-2:1064 0 AMB 20-1:1064 3.50 (# 1064:20 Double Ambig) &rst ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 799, 37, igr2= 801, 802, 801, 802, &end # # 108 VAL HA 108 VAL HB 3.50 (# 1065:20 Unique 2.25, 3.01 A) &rst ixpk= 1065, nxpk= 20, iat=1603,1605, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1066 0 AMB 20-1:1066 3.50 (# 1066:20 Double Ambig) &rst ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 804, 805, 804, 805, igr2= 801, 802, 801, 802, &end # # 0 AMB 20-2:1067 108 VAL HB 2.80 (# 1067:20 Single Ambig) &rst ixpk= 1067, nxpk= 20, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, &end # # 105 ILE QG2 108 VAL HB 4.50 (# 1068:20 Unique 2.48, 5.51 A) &rst ixpk= 1068, nxpk= 20, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1566,1567,1568, &end # # 0 AMB 20-2:1069 57 ARG HB- 3.50 (# 1069:20 Single Ambig) &rst ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 804, 805, 804, 805, igr2= 801, 802, &end # # 0 AMB 20-2:1070 57 ARG HB- 3.50 (# 1070:20 Single Ambig) &rst ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 799, 37, igr2= 801, 802, &end # # 137 GLN HA 137 GLN HG+ 4.50 (# 1071:20 Unique 3.07, 3.78 A) &rst ixpk= 1071, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2076,2077, &end # # 0 AMB 20-2:1072 0 AMB 20-1:1072 3.50 (# 1072:20 Double Ambig) &rst ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2069,2081,2082, igr2=2076,2077,2076,2077, &end # # 0 AMB 20-2:1074 0 AMB 20-1:1074 3.50 (# 1074:20 Double Ambig) &rst ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2073,2074,2010,2011, igr2=2076,2077,2076,2077, &end # # 137 GLN HB- 137 GLN HG+ 2.80 (# 1075:20 Unique 2.39, 2.74 A) &rst ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2073,2074, igr2=2076,2077, &end # # 0 AMB 20-2:1076 137 GLN HG- 3.50 (# 1076:20 Single Ambig) &rst ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2069,2081,2082, igr2=2076,2077, &end # # 137 GLN HA 137 GLN HG- 4.50 (# 1077:20 Unique 3.07, 3.78 A) &rst ixpk= 1077, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2076,2077, &end # # 0 AMB 20-2:1079 137 GLN HG- 2.80 (# 1079:20 Single Ambig) &rst ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2073,2074,2010,2011, igr2=2076,2077, &end # # 137 GLN HB- 137 GLN HG- 2.80 (# 1080:20 Unique 2.39, 2.74 A) &rst ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2073,2074, igr2=2076,2077, &end # # 31 LYS HN 30 PRO HB+ 4.50 (# 1081:20 Unique 2.78, 3.52 A) &rst ixpk= 1081, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 396, 397, &end # # 30 PRO HA 30 PRO HB+ 2.80 (# 1082:20 Unique 2.26, 2.52 A) &rst ixpk= 1082, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 396, 397, &end # # 126 GLN HE2- 0 AMB 20-1:1083 3.50 (# 1083:20 Single Ambig) &rst ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1905,1906, igr2=1900,1901,1900,1901, &end # # 0 AMB 20-2:1084 0 AMB 20-1:1084 3.50 (# 1084:20 Double Ambig) &rst ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1895,1911,1912, igr2=1900,1901,1900,1901,1900,1901, &end # # 31 LYS HN 30 PRO HB- 4.50 (# 1085:20 Unique 2.78, 3.52 A) &rst ixpk= 1085, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 396, 397, &end # # 30 PRO HA 30 PRO HB- 2.80 (# 1086:20 Unique 2.26, 2.52 A) &rst ixpk= 1086, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 396, 397, &end # # 0 AMB 20-2:1088 0 AMB 20-1:1088 4.50 (# 1088:20 Double Ambig) &rst ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2190,1617, igr2=2179,2180,1605, &end # # 84 MET HN 84 MET HB+ 3.50 (# 1089:20 Unique 2.40, 3.04 A) &rst ixpk= 1089, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1214,1215, &end # # 84 MET HA 84 MET HB+ 3.50 (# 1090:20 Unique 2.45, 2.78 A) &rst ixpk= 1090, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1214,1215, &end # # 84 MET HN 84 MET HB- 4.50 (# 1091:20 Unique 2.40, 3.04 A) &rst ixpk= 1091, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1214,1215, &end # # 84 MET HA 84 MET HB- 3.50 (# 1092:20 Unique 2.45, 2.78 A) &rst ixpk= 1092, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1214,1215, &end # # 143 GLU HN 143 GLU HB- 3.50 (# 1093:20 Unique 2.77, 3.31 A) &rst ixpk= 1093, nxpk= 20, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2179,2180, &end # # 143 GLU HA 143 GLU HB- 3.50 (# 1094:20 Unique 2.44, 2.78 A) &rst ixpk= 1094, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2179,2180, &end # # 12 MET HN 12 MET HG+ 4.50 (# 1095:20 Unique 1.94, 2.33 A) &rst ixpk= 1095, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 167, 168, &end # # 0 AMB 20-2:1096 0 AMB 20-1:1096 3.50 (# 1096:20 Double Ambig) &rst ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1266, 162, igr2=1271,1272, 167, 168, &end # # 12 MET HB+ 12 MET HG+ 2.80 (# 1097:20 Unique 2.33, 2.76 A) &rst ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 164, 165, igr2= 167, 168, &end # # 107 GLU HN 107 GLU HB+ 4.50 (# 1100:20 Unique 2.49, 2.99 A) &rst ixpk= 1100, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1590,1591, &end # # 0 AMB 20-2:1101 0 AMB 20-1:1101 2.80 (# 1101:20 Double Ambig) &rst ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1266,1588, 162, igr2=1268,1269,1590,1591, 164, 165, &end # # 0 AMB 20-2:1102 0 AMB 20-1:1102 2.80 (# 1102:20 Double Ambig) &rst ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1394,1395, 167, 168,1271,1272, igr2=1135,1136, 164, 165,1268,1269, &end # # 0 AMB 20-2:1103 0 AMB 20-1:1103 2.80 (# 1103:20 Double Ambig) &rst ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 167, 168,1271,1272, igr2= 164, 165,1268,1269, &end # # 0 AMB 20-2:1104 0 AMB 20-1:1104 3.50 (# 1104:20 Double Ambig) &rst ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1247,1281, igr2=1251,1252,1268,1269, &end # # 87 MET HA 87 MET HB- 3.50 (# 1106:20 Unique 2.27, 2.74 A) &rst ixpk= 1106, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1268,1269, &end # # 36 VAL HN 36 VAL HB 2.80 (# 1107:20 Unique 2.50, 2.58 A) &rst ixpk= 1107, nxpk= 20, iat= 486, 490, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 153 VAL HN 153 VAL HB 3.50 (# 1108:20 Unique 2.26, 2.66 A) &rst ixpk= 1108, nxpk= 20, iat=2301,2305, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1109 0 AMB 20-1:1109 2.80 (# 1109:20 Double Ambig) &rst ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1138,2303,1392, igr2=1135,1136,2305, &end # # 0 AMB 20-2:1110 153 VAL HB 2.80 (# 1110:20 Single Ambig) &rst ixpk= 1110, nxpk= 20, iat= -1,2305, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 102 LYS HN 102 LYS HB+ 2.80 (# 1111:20 Unique 1.95, 2.57 A) &rst ixpk= 1111, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1515,1516, &end # # 70 PRO HA 70 PRO HB+ 2.80 (# 1112:20 Unique 2.23, 2.53 A) &rst ixpk= 1112, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1006,1007, &end # # 107 GLU HN 107 GLU HB- 4.50 (# 1113:20 Unique 2.49, 2.99 A) &rst ixpk= 1113, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1590,1591, &end # # 0 AMB 20-2:1115 0 AMB 20-1:1115 3.50 (# 1115:20 Double Ambig) &rst ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 217, 218,1956,1957, 167, 168, igr2= 181, 182,1947,1948, &end # # 70 PRO HA 70 PRO HB- 4.50 (# 1117:20 Unique 2.23, 2.53 A) &rst ixpk= 1117, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1006,1007, &end # # 0 AMB 20-2:1118 70 PRO HB- 2.80 (# 1118:20 Single Ambig) &rst ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1003,1004,1914,1915, igr2=1006,1007, &end # # 128 ILE QD1 70 PRO HB- 4.50 (# 1119:20 Unique 2.34, 2.95 A) &rst ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939, igr2=1006,1007, &end # # 0 AMB 20-2:1121 0 AMB 20-1:1121 4.50 (# 1121:20 Double Ambig) &rst ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1247,1281, igr2=1251,1252,1271,1272, &end # # 86 MET HA 86 MET HB- 3.50 (# 1122:20 Unique 2.26, 2.41 A) &rst ixpk= 1122, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1251,1252, &end # # 84 MET HN 84 MET HG+ 4.50 (# 1124:20 Unique 2.06, 2.83 A) &rst ixpk= 1124, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1217,1218, &end # # 84 MET HA 84 MET HG+ 4.50 (# 1125:20 Unique 2.75, 3.28 A) &rst ixpk= 1125, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1217,1218, &end # # 0 AMB 20-2:1126 0 AMB 20-1:1126 2.80 (# 1126:20 Double Ambig) &rst ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1214,1215,1214,1215, igr2=1217,1218,1217,1218, &end # # 84 MET HN 84 MET HG- 4.50 (# 1127:20 Unique 2.06, 2.83 A) &rst ixpk= 1127, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1217,1218, &end # # 118 VAL MGY 13 MET HB+ 4.50 (# 1129:20 Unique 3.03, 5.60 A) &rst ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1769,1770,1771,1773,1774,1775, igr2= 181, 182, &end # # 35 VAL HN 35 VAL HB 3.50 (# 1130:20 Unique 2.44, 2.60 A) &rst ixpk= 1130, nxpk= 20, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 VAL HA 35 VAL HB 3.50 (# 1131:20 Unique 2.50, 2.81 A) &rst ixpk= 1131, nxpk= 20, iat= 49, 474, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1132 0 AMB 20-1:1132 2.80 (# 1132:20 Double Ambig) &rst ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1138,1392, igr2=1135,1136,1135,1136, &end # # 0 AMB 20-2:1133 0 AMB 20-1:1133 3.50 (# 1133:20 Double Ambig) &rst ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1129,1130,1581,1582, igr2=1135,1136,1590,1591, &end # # 0 AMB 20-2:1134 0 AMB 20-1:1134 2.80 (# 1134:20 Double Ambig) &rst ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 476, 477, 478, 480, 481, 482,1630,1631,1632, igr2= 474,1590,1591, &end # # 0 AMB 20-2:1135 35 VAL HB 2.80 (# 1135:20 Single Ambig) &rst ixpk= 1135, nxpk= 20, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 53, 54, 55, 57, 58, 59, 476, 477, 478, 480, 481, 482, 735, 736, 737, 739, 740, 741, &end # # 78 PRO HD+ 78 PRO HB- 3.50 (# 1136:20 Unique 2.80, 3.68 A) &rst ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1129,1130, igr2=1135,1136, &end # # 0 AMB 20-2:1137 0 AMB 20-1:1137 3.50 (# 1137:20 Double Ambig) &rst ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1513, 153, 154, igr2=1515,1516, 164, 165, &end # # 0 AMB 20-2:1138 0 AMB 20-1:1138 4.50 (# 1138:20 Double Ambig) &rst ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1943,1399,1400, igr2=1947,1948,1364,1365, &end # # 0 AMB 20-2:1139 0 AMB 20-1:1139 3.50 (# 1139:20 Double Ambig) &rst ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1950,1951,1950,1951, igr2=1947,1948,1947,1948, &end # # 102 LYS HN 102 LYS HB- 3.50 (# 1140:20 Unique 1.95, 2.57 A) &rst ixpk= 1140, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1515,1516, &end # # 102 LYS HA 102 LYS HB- 3.50 (# 1141:20 Unique 2.19, 2.60 A) &rst ixpk= 1141, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1515,1516, &end # # 129 LYS HA 129 LYS HB- 3.50 (# 1142:20 Unique 2.44, 2.82 A) &rst ixpk= 1142, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1947,1948, &end # # 129 LYS HG+ 129 LYS HB- 3.50 (# 1143:20 Unique 2.43, 2.76 A) &rst ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1950,1951, igr2=1947,1948, &end # # 0 AMB 20-2:1144 0 AMB 20-1:1144 3.50 (# 1144:20 Double Ambig) &rst ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr1= 53, 54, 55, 57, 58, 59,1570,1571, 272, 273, 274, 276, 277, 278, igr2= 776, 777,1947,1948, &end # # 13 MET HN 13 MET HB- 3.50 (# 1145:20 Unique 2.27, 2.73 A) &rst ixpk= 1145, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 181, 182, &end # # 13 MET HA 13 MET HB- 4.50 (# 1146:20 Unique 2.48, 2.79 A) &rst ixpk= 1146, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 181, 182, &end # # 0 AMB 20-2:1147 25 LYS HB- 3.50 (# 1147:20 Single Ambig) &rst ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 328, 284, igr2= 330, 331, &end # # 25 LYS HG+ 25 LYS HB- 2.80 (# 1149:20 Unique 2.36, 2.75 A) &rst ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 333, 334, igr2= 330, 331, &end # # 0 AMB 20-2:1151 0 AMB 20-1:1151 3.50 (# 1151:20 Double Ambig) &rst ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 328, 284, igr2= 330, 331, 330, 331, &end # # 25 LYS HG+ 25 LYS HB+ 3.50 (# 1153:20 Unique 2.36, 2.75 A) &rst ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 333, 334, igr2= 330, 331, &end # # 0 AMB 20-2:1155 0 AMB 20-1:1155 4.50 (# 1155:20 Double Ambig) &rst ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, igr1=2281,2282,2283,2285,2286,2287, 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 949, 950, 949, 950, 949, 950, &end # # 66 MET HA 66 MET HG+ 4.50 (# 1156:20 Unique 2.32, 2.81 A) &rst ixpk= 1156, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 949, 950, &end # # 64 THR MG2 66 MET HG+ 3.50 (# 1157:20 Unique 3.19, 4.52 A) &rst ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 922, 923, 924, igr2= 949, 950, &end # # 93 PRO HA 93 PRO HB+ 2.80 (# 1158:20 Unique 2.30, 2.54 A) &rst ixpk= 1158, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1364,1365, &end # # 123 PRO HA 123 PRO HB+ 2.80 (# 1160:20 Unique 2.32, 2.52 A) &rst ixpk= 1160, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1855,1856, &end # # 124 MET HN 123 PRO HB+ 4.50 (# 1162:20 Unique 2.92, 3.49 A) &rst ixpk= 1162, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1855,1856, &end # # 136 TYR HN 135 VAL HB 4.50 (# 1163:20 Unique 2.51, 3.22 A) &rst ixpk= 1163, nxpk= 20, iat=2048,2036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 VAL HA 135 VAL HB 4.50 (# 1164:20 Unique 2.65, 3.39 A) &rst ixpk= 1164, nxpk= 20, iat=1989,2036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 VAL HN 135 VAL HB 3.50 (# 1165:20 Unique 2.17, 2.46 A) &rst ixpk= 1165, nxpk= 20, iat=2032,2036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1167 0 AMB 20-1:1167 2.80 (# 1167:20 Double Ambig) &rst ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 779, 944, igr2= 776, 777, 949, 950, &end # # 0 AMB 20-2:1168 0 AMB 20-1:1168 2.80 (# 1168:20 Double Ambig) &rst ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 53, 54, 55, 57, 58, 59,1570,1571, 648, 649, 650, 652, 653, 654, igr2= 776, 777, 776, 777, 646, &end # # 0 AMB 20-2:1169 0 AMB 20-1:1169 4.50 (# 1169:20 Double Ambig) &rst ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 535, 536, 535, 536, 569, 570, igr2= 575, 576, 575, 576, 575, 576, &end # # 0 AMB 20-2:1170 0 AMB 20-1:1170 2.80 (# 1170:20 Double Ambig) &rst ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438, 1439,1440, igr2= 575, 576, 575, 576, 575, 576, &end # # 43 PRO HA 0 AMB 20-1:1171 3.50 (# 1171:20 Single Ambig) &rst ixpk= 1171, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 575, 576, 575, 576, &end # # 15 ASP HA 124 MET HG- 3.50 (# 1173:20 Unique 1.97, 2.80 A) &rst ixpk= 1173, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1869,1870, &end # # 124 MET HB+ 124 MET HG- 3.50 (# 1176:20 Unique 2.45, 2.76 A) &rst ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1866,1867, igr2=1869,1870, &end # # 124 MET ME 124 MET HG- 4.50 (# 1177:20 Unique 2.57, 3.74 A) &rst ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1873,1874,1875, igr2=1869,1870, &end # # 0 AMB 20-2:1178 124 MET HG- 4.50 (# 1178:20 Single Ambig) &rst ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1866,1867,1934,1935, igr2=1869,1870, &end # # 128 ILE QG2 124 MET HG- 4.50 (# 1179:20 Unique 2.66, 3.65 A) &rst ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1930,1931,1932, igr2=1869,1870, &end # # 124 MET HB- 124 MET HG+ 3.50 (# 1181:20 Unique 2.45, 2.76 A) &rst ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1866,1867, igr2=1869,1870, &end # # 0 AMB 20-2:1182 0 AMB 20-1:1182 3.50 (# 1182:20 Double Ambig) &rst ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1950,1951,1950,1951, igr2=1869,1870,1869,1870, &end # # 128 ILE QG2 124 MET HG+ 4.50 (# 1183:20 Unique 2.66, 3.65 A) &rst ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1930,1931,1932, igr2=1869,1870, &end # # 20 PRO HA 20 PRO HB+ 3.50 (# 1184:20 Unique 2.35, 2.70 A) &rst ixpk= 1184, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 256, 257, &end # # 132 VAL HN 132 VAL HB 3.50 (# 1186:20 Unique 2.20, 2.28 A) &rst ixpk= 1186, nxpk= 20, iat=1987,1991, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 133 GLU HN 132 VAL HB 4.50 (# 1187:20 Unique 2.52, 2.64 A) &rst ixpk= 1187, nxpk= 20, iat=2003,1991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:1188 132 VAL HB 4.50 (# 1188:20 Single Ambig) &rst ixpk= 1188, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1945, 234, &end # # 132 VAL HA 132 VAL HB 4.50 (# 1189:20 Unique 3.04, 3.04 A) &rst ixpk= 1189, nxpk= 20, iat=1989,1991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 132 VAL MGY 132 VAL HB 3.50 (# 1190:20 Unique 2.36, 2.68 A) &rst ixpk= 1190, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1993,1994,1995,1997,1998,1999, &end # # 48 VAL HN 48 VAL HB 2.80 (# 1191:20 Unique 2.48, 2.58 A) &rst ixpk= 1191, nxpk= 20, iat= 642, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 49 ALA HN 48 VAL HB 3.50 (# 1192:20 Unique 2.69, 2.76 A) &rst ixpk= 1192, nxpk= 20, iat= 658, 646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:1193 0 AMB 20-1:1193 3.50 (# 1193:20 Double Ambig) &rst ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 644, 23, igr2= 646, 776, 777, &end # # 49 ALA MB 48 VAL HB 5.50 (# 1194:20 Unique 4.20, 5.06 A) &rst ixpk= 1194, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 662, 663, 664, &end # # 0 AMB 20-2:1195 0 AMB 20-1:1195 2.80 (# 1195:20 Double Ambig) &rst ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=2354,2355,2354,2355, igr2=2351,2352,2351,2352, &end # # 20 PRO HA 20 PRO HB- 4.50 (# 1196:20 Unique 2.35, 2.70 A) &rst ixpk= 1196, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 256, 257, &end # # 138 ARG HN 0 AMB 20-1:1198 2.80 (# 1198:20 Single Ambig) &rst ixpk= 1198, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2=2090,2091,2090,2091, &end # # 0 AMB 20-2:1199 0 AMB 20-1:1199 4.50 (# 1199:20 Double Ambig) &rst ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2110,2233,2241, igr2=2090,2091,2090,2091, &end # # 138 ARG HA 0 AMB 20-1:1200 3.50 (# 1200:20 Single Ambig) &rst ixpk= 1200, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2090,2091,2090,2091, &end # # 138 ARG HG- 0 AMB 20-1:1201 2.80 (# 1201:20 Single Ambig) &rst ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2093,2094, igr2=2090,2091,2090,2091, &end # # 0 AMB 20-2:1202 0 AMB 20-1:1202 2.80 (# 1202:20 Double Ambig) &rst ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1=2324,2325,2324,2325,2339,2340,2339,2340, igr2=2321,2322,2321,2322,2336,2337,2336,2337, &end # # 154 GLU HA 154 GLU HB+ 2.80 (# 1203:20 Unique 2.36, 2.64 A) &rst ixpk= 1203, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=2321,2322, &end # # 72 GLU HN 72 GLU HB+ 5.50 (# 1204:20 Unique 2.24, 2.92 A) &rst ixpk= 1204, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1024,1025, &end # # 0 AMB 20-2:1205 0 AMB 20-1:1205 2.80 (# 1205:20 Double Ambig) &rst ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2317,2332, igr2=2321,2322,2336,2337, &end # # 154 GLU HA 154 GLU HB- 3.50 (# 1206:20 Unique 2.36, 2.64 A) &rst ixpk= 1206, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2321,2322, &end # # 0 AMB 20-2:1207 0 AMB 20-1:1207 2.80 (# 1207:20 Double Ambig) &rst ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1=2324,2325,2324,2325,2339,2340,2339,2340, igr2=2321,2322,2336,2337, &end # # 128 ILE QD1 127 PRO HB+ 3.50 (# 1208:20 Unique 2.27, 4.23 A) &rst ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1937,1938,1939, igr2=1917,1918, &end # # 127 PRO HA 127 PRO HB+ 3.50 (# 1209:20 Unique 2.25, 2.54 A) &rst ixpk= 1209, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1917,1918, &end # # 0 AMB 20-2:1211 0 AMB 20-1:1211 3.50 (# 1211:20 Double Ambig) &rst ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2255,2317, igr2=2259,2260,2321,2322, &end # # 140 GLU HN 140 GLU HB- 2.80 (# 1213:20 Unique 1.95, 2.97 A) &rst ixpk= 1213, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=2133,2134, &end # # 48 VAL HA 0 AMB 20-1:1214 3.50 (# 1214:20 Single Ambig) &rst ixpk= 1214, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 691, 692, 691, 692, &end # # 51 ARG HA 0 AMB 20-1:1215 2.80 (# 1215:20 Single Ambig) &rst ixpk= 1215, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 691, 692, 691, 692, &end # # 0 AMB 20-2:1216 0 AMB 20-1:1216 3.50 (# 1216:20 Double Ambig) &rst ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 697, 698, 697, 698, 697, 698, igr2= 691, 692, 691, 692, 691, 692, &end # # 47 ILE HN 47 ILE HG1- 4.50 (# 1217:20 Unique 2.23, 3.00 A) &rst ixpk= 1217, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 633, 634, &end # # 44 GLU HA 47 ILE HG1- 3.50 (# 1218:20 Unique 2.23, 3.03 A) &rst ixpk= 1218, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 633, 634, &end # # 47 ILE HA 47 ILE HG1- 4.50 (# 1219:20 Unique 2.45, 2.60 A) &rst ixpk= 1219, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 633, 634, &end # # 97 LEU MDX 47 ILE HG1- 3.50 (# 1221:20 Unique 2.16, 4.41 A) &rst ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1434,1435,1436,1438,1439,1440, igr2= 633, 634, &end # # 127 PRO HA 127 PRO HB- 3.50 (# 1222:20 Unique 2.25, 2.54 A) &rst ixpk= 1222, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1917,1918, &end # # 0 AMB 20-2:1224 127 PRO HB- 3.50 (# 1224:20 Single Ambig) &rst ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1914,1915,1003,1004, igr2=1917,1918, &end # # 0 AMB 20-2:1225 127 PRO HB- 4.50 (# 1225:20 Single Ambig) &rst ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1006,1007,1914,1915, igr2=1917,1918, &end # # 128 ILE QD1 127 PRO HB- 3.50 (# 1226:20 Unique 2.27, 4.23 A) &rst ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1937,1938,1939, igr2=1917,1918, &end # # 47 ILE HA 47 ILE HG1+ 4.50 (# 1227:20 Unique 2.45, 2.60 A) &rst ixpk= 1227, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 633, 634, &end # # 97 LEU MDX 47 ILE HG1+ 3.50 (# 1230:20 Unique 2.16, 4.41 A) &rst ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1434,1435,1436,1438,1439,1440, igr2= 633, 634, &end # # 50 ILE HN 50 ILE HG1+ 4.50 (# 1231:20 Unique 1.97, 2.80 A) &rst ixpk= 1231, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 678, 679, &end # # 0 AMB 20-2:1232 0 AMB 20-1:1232 4.50 (# 1232:20 Double Ambig) &rst ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 670, 625, igr2= 678, 679, 678, 679, &end # # 142 TRP HN 142 TRP HB+ 3.50 (# 1235:20 Unique 2.10, 2.60 A) &rst ixpk= 1235, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2155,2156, &end # # 0 AMB 20-2:1236 0 AMB 20-1:1236 4.50 (# 1236:20 Double Ambig) &rst ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 459,2159, igr2=2155,2156,2155,2156, &end # # 142 TRP HN 142 TRP HB- 3.50 (# 1239:20 Unique 2.10, 2.60 A) &rst ixpk= 1239, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2155,2156, &end # # 0 AMB 20-2:1240 142 TRP HB- 3.50 (# 1240:20 Single Ambig) &rst ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 459,2159, igr2=2155,2156, &end # # 90 HIS HA 90 HIS HB+ 4.50 (# 1243:20 Unique 2.40, 2.70 A) &rst ixpk= 1243, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1313,1314, &end # # 90 HIS HA 90 HIS HB- 3.50 (# 1245:20 Unique 2.40, 2.70 A) &rst ixpk= 1245, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1313,1314, &end # # 34 TRP HA 34 TRP HB+ 4.50 (# 1247:20 Unique 2.30, 2.69 A) &rst ixpk= 1247, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 450, 451, &end # # 36 VAL MGY 34 TRP HB+ 4.50 (# 1249:20 Unique 4.02, 6.83 A) &rst ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 492, 493, 494, 496, 497, 498, igr2= 450, 451, &end # # 34 TRP HN 34 TRP HB- 4.50 (# 1250:20 Unique 2.48, 3.13 A) &rst ixpk= 1250, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 450, 451, &end # # 36 VAL MGY 34 TRP HB- 4.50 (# 1252:20 Unique 4.02, 6.83 A) &rst ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 492, 493, 494, 496, 497, 498, igr2= 450, 451, &end # # 7 CYS HN 7 CYS HB+ 4.50 (# 1253:20 Unique 2.17, 3.01 A) &rst ixpk= 1253, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 105, 106, &end # # 7 CYS HA 7 CYS HB+ 3.50 (# 1254:20 Unique 2.23, 2.74 A) &rst ixpk= 1254, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 105, 106, &end # # 23 ALA MB 7 CYS HB+ 3.50 (# 1256:20 Unique 2.21, 3.42 A) &rst ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 305, 306, 307, igr2= 105, 106, &end # # 7 CYS HA 7 CYS HB- 3.50 (# 1257:20 Unique 2.23, 2.74 A) &rst ixpk= 1257, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 105, 106, &end # # 25 LYS HN 0 AMB 20-1:1259 3.50 (# 1259:20 Single Ambig) &rst ixpk= 1259, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 315, 316, 315, 316, &end # # 24 GLU HN 0 AMB 20-1:1260 2.80 (# 1260:20 Single Ambig) &rst ixpk= 1260, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 315, 316, 315, 316, &end # # 21 LEU HA 0 AMB 20-1:1261 2.80 (# 1261:20 Single Ambig) &rst ixpk= 1261, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 315, 316, 315, 316, &end # # 24 GLU HA 0 AMB 20-1:1262 2.80 (# 1262:20 Single Ambig) &rst ixpk= 1262, nxpk= 20, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 315, 316, 315, 316, &end # # 0 AMB 20-2:1263 0 AMB 20-1:1263 2.80 (# 1263:20 Double Ambig) &rst ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 333, 334, 330, 331, igr2= 315, 316, 315, 316, 315, 316, &end # # 21 LEU MDY 0 AMB 20-1:1264 2.80 (# 1264:20 Single Ambig) &rst ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 272, 273, 274, 276, 277, 278, igr2= 315, 316, 315, 316, &end # # 140 GLU HN 140 GLU HB+ 2.80 (# 1265:20 Unique 1.95, 2.97 A) &rst ixpk= 1265, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=2133,2134, &end # # 53 LEU HN 0 AMB 20-1:1266 3.50 (# 1266:20 Single Ambig) &rst ixpk= 1266, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 715, 716, 715, 716, &end # # 83 GLU HN 83 GLU HB+ 2.80 (# 1267:20 Unique 2.47, 3.01 A) &rst ixpk= 1267, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1199,1200, &end # # 0 AMB 20-2:1268 0 AMB 20-1:1268 2.80 (# 1268:20 Double Ambig) &rst ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 713, 660, igr2= 715, 716, 715, 716, 715, 716, &end # # 72 GLU HG- 0 AMB 20-1:1269 3.50 (# 1269:20 Single Ambig) &rst ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1027,1028, igr2=1705,1706,1705,1706, &end # # 0 AMB 20-2:1270 0 AMB 20-1:1270 3.50 (# 1270:20 Double Ambig) &rst ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27, igr1=1937,1938,1939,2307,2308,2309,2311,2312,2313,2307, 2308,2309,2311,2312,2313, igr2=1705,1706,1705,1706,1199,1200,1199,1200, &end # # 151 LEU HN 150 GLN HB+ 4.50 (# 1271:20 Unique 2.58, 4.21 A) &rst ixpk= 1271, nxpk= 20, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2259,2260, &end # # 150 GLN HA 150 GLN HB- 4.50 (# 1272:20 Unique 2.44, 2.84 A) &rst ixpk= 1272, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2259,2260, &end # # 0 AMB 20-2:1273 0 AMB 20-1:1273 2.80 (# 1273:20 Double Ambig) &rst ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 718, 719,2262,2263,1217,1218, igr2= 715, 716, 715, 716,2259,2260,1199,1200, &end # # 150 GLN HA 150 GLN HB+ 4.50 (# 1274:20 Unique 2.44, 2.84 A) &rst ixpk= 1274, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2259,2260, &end # # 103 GLU HG+ 103 GLU HB+ 2.80 (# 1275:20 Unique 2.35, 2.68 A) &rst ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1540,1541, igr2=1537,1538, &end # # 103 GLU HA 103 GLU HB+ 2.80 (# 1276:20 Unique 2.23, 2.60 A) &rst ixpk= 1276, nxpk= 20, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1537,1538, &end # # 83 GLU HN 83 GLU HB- 2.80 (# 1277:20 Unique 2.47, 3.01 A) &rst ixpk= 1277, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1199,1200, &end # # 103 GLU HN 103 GLU HB- 2.80 (# 1278:20 Unique 2.01, 2.95 A) &rst ixpk= 1278, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1537,1538, &end # # 99 ASP HA 0 AMB 20-1:1279 4.50 (# 1279:20 Single Ambig) &rst ixpk= 1279, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1521,1522,1521,1522, &end # # 102 LYS HA 0 AMB 20-1:1280 4.50 (# 1280:20 Single Ambig) &rst ixpk= 1280, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1521,1522,1521,1522, &end # # 0 AMB 20-2:1281 0 AMB 20-1:1281 2.80 (# 1281:20 Double Ambig) &rst ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1524,1525,1524,1525,1524,1525, igr2=1521,1522,1521,1522,1521,1522, &end # # 98 ILE HN 98 ILE HG1- 3.50 (# 1282:20 Unique 2.14, 3.06 A) &rst ixpk= 1282, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1454,1455, &end # # 98 ILE HA 98 ILE HG1- 3.50 (# 1283:20 Unique 2.30, 2.59 A) &rst ixpk= 1283, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1454,1455, &end # # 129 LYS HE+ 129 LYS HD+ 3.50 (# 1284:20 Unique 2.43, 2.77 A) &rst ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1956,1957, igr2=1953,1954, &end # # 0 AMB 20-2:1287 98 ILE HG1- 2.80 (# 1287:20 Single Ambig) &rst ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1457,1458,1459,1434,1435,1436,1438,1439,1440, 872, 873, 874, igr2=1454,1455, &end # # 126 GLN HA 129 LYS HD- 4.50 (# 1288:20 Unique 2.72, 3.27 A) &rst ixpk= 1288, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1953,1954, &end # # 129 LYS HG- 129 LYS HD- 2.80 (# 1291:20 Unique 2.28, 2.70 A) &rst ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1950,1951, igr2=1953,1954, &end # # 0 AMB 20-2:1292 129 LYS HD- 4.50 (# 1292:20 Single Ambig) &rst ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1956,1957,1869,1870, igr2=1953,1954, &end # # 25 LYS HG- 25 LYS HD+ 2.80 (# 1293:20 Unique 2.42, 2.77 A) &rst ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 333, 334, igr2= 336, 337, &end # # 132 VAL MGX 25 LYS HD+ 4.50 (# 1294:20 Unique 2.89, 6.18 A) &rst ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1993,1994,1995,1997,1998,1999, igr2= 336, 337, &end # # 22 LEU HA 25 LYS HD+ 4.50 (# 1295:20 Unique 2.30, 3.43 A) &rst ixpk= 1295, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 336, 337, &end # # 0 AMB 20-2:1296 0 AMB 20-1:1296 3.50 (# 1296:20 Double Ambig) &rst ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 339, 340, 339, 340,2010,2011, igr2= 336, 337, 336, 337, 336, 337, &end # # 0 AMB 20-2:1299 25 LYS HD- 3.50 (# 1299:20 Single Ambig) &rst ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 339, 340, 339, 340,2010,2011, igr2= 336, 337, &end # # 0 AMB 20-2:1300 25 LYS HD- 3.50 (# 1300:20 Single Ambig) &rst ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 330, 331, 333, 334, igr2= 336, 337, &end # # 132 VAL MGX 25 LYS HD- 4.50 (# 1303:20 Unique 2.89, 6.18 A) &rst ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1993,1994,1995,1997,1998,1999, igr2= 336, 337, &end # # 25 LYS HB+ 25 LYS HD- 4.50 (# 1304:20 Unique 2.30, 2.79 A) &rst ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 330, 331, igr2= 336, 337, &end # # 98 ILE HA 98 ILE HG1+ 4.50 (# 1305:20 Unique 2.30, 2.59 A) &rst ixpk= 1305, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1454,1455, &end # # 98 ILE HB 98 ILE HG1+ 4.50 (# 1306:20 Unique 2.47, 2.79 A) &rst ixpk= 1306, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1454,1455, &end # # 0 AMB 20-2:1307 0 AMB 20-1:1307 2.80 (# 1307:20 Double Ambig) &rst ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=1457,1458,1459,1434,1435,1436,1438,1439,1440, 872, 873, 874, igr2=1454,1455,1454,1455,1454,1455, &end # # 0 AMB 20-2:1309 0 AMB 20-1:1309 2.80 (# 1309:20 Double Ambig) &rst ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1475,1492, igr2=1479,1480,1479,1480,1479,1480, &end # # 100 GLN HA 0 AMB 20-1:1310 2.80 (# 1310:20 Single Ambig) &rst ixpk= 1310, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1479,1480,1479,1480,1537,1538, &end # # 31 LYS HE- 31 LYS HD- 3.50 (# 1311:20 Unique 2.31, 2.72 A) &rst ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 416, 417, igr2= 413, 414, &end # # 133 GLU HN 133 GLU HB+ 3.50 (# 1312:20 Unique 2.10, 2.33 A) &rst ixpk= 1312, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2007,2008, &end # # 0 AMB 20-2:1313 0 AMB 20-1:1313 3.50 (# 1313:20 Double Ambig) &rst ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 339, 340, 339, 340,2010,2011, igr2=2007,2008,2007,2008,2007,2008, &end # # 133 GLU HN 133 GLU HB- 3.50 (# 1314:20 Unique 2.10, 2.33 A) &rst ixpk= 1314, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2007,2008, &end # # 31 LYS HA 31 LYS HD- 3.50 (# 1315:20 Unique 1.99, 2.96 A) &rst ixpk= 1315, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 413, 414, &end # # 31 LYS HE+ 31 LYS HD- 4.50 (# 1316:20 Unique 2.31, 2.72 A) &rst ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 416, 417, igr2= 413, 414, &end # # 31 LYS HA 31 LYS HD+ 3.50 (# 1318:20 Unique 1.99, 2.96 A) &rst ixpk= 1318, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 413, 414, &end # # 31 LYS HE+ 31 LYS HD+ 3.50 (# 1319:20 Unique 2.31, 2.72 A) &rst ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 416, 417, igr2= 413, 414, &end # # 0 AMB 20-2:1321 22 LEU MDX 4.50 (# 1321:20 Single Ambig) &rst ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 301, 282, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:1322 22 LEU MDX 4.50 (# 1322:20 Single Ambig) &rst ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 303, 284, igr2= 291, 292, 293, 295, 296, 297, &end # # 22 LEU HB+ 22 LEU MDX 3.50 (# 1323:20 Unique 2.23, 3.25 A) &rst ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 286, 287, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:1324 22 LEU MDX 4.50 (# 1324:20 Single Ambig) &rst ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2036,2117, igr2= 291, 292, 293, 295, 296, 297, &end # # 5 LEU MDY 22 LEU MDX 3.50 (# 1326:20 Unique 2.17, 4.49 A) &rst ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 72, 73, 74, 76, 77, 78, igr2= 291, 292, 293, 295, 296, 297, &end # # 127 PRO HA 127 PRO HG+ 3.50 (# 1327:20 Unique 2.96, 3.89 A) &rst ixpk= 1327, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1914,1915, &end # # 127 PRO HD- 127 PRO HG+ 4.50 (# 1328:20 Unique 2.30, 2.59 A) &rst ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1911,1912, igr2=1914,1915, &end # # 127 PRO HB- 127 PRO HG+ 3.50 (# 1329:20 Unique 2.36, 2.63 A) &rst ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1917,1918, igr2=1914,1915, &end # # 127 PRO HB- 127 PRO HG- 4.50 (# 1330:20 Unique 2.36, 2.63 A) &rst ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1917,1918, igr2=1914,1915, &end # # 51 ARG HN 51 ARG HG- 4.50 (# 1331:20 Unique 2.64, 3.29 A) &rst ixpk= 1331, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 694, 695, &end # # 51 ARG HA 51 ARG HG- 4.50 (# 1332:20 Unique 2.41, 2.73 A) &rst ixpk= 1332, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 694, 695, &end # # 0 AMB 20-2:1333 51 ARG HG- 2.80 (# 1333:20 Single Ambig) &rst ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 697, 698, 697, 698, igr2= 694, 695, &end # # 0 AMB 20-2:1336 51 ARG HG- 2.80 (# 1336:20 Single Ambig) &rst ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, igr2= 694, 695, &end # # 51 ARG HA 51 ARG HG+ 3.50 (# 1337:20 Unique 2.41, 2.73 A) &rst ixpk= 1337, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 694, 695, &end # # 0 AMB 20-2:1338 0 AMB 20-1:1338 2.80 (# 1338:20 Double Ambig) &rst ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 697, 698, 697, 698, igr2= 694, 695, 694, 695, &end # # 81 ILE QD1 81 ILE HG1+ 2.80 (# 1340:20 Unique 2.29, 2.65 A) &rst ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1179,1180,1181, igr2=1176,1177, &end # # 148 PHE HD 111 LEU MDX 3.50 (# 1341:20 Unique 2.66, 5.38 A) &rst ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2233,2241, igr2=1665,1666,1667,1669,1670,1671, &end # # 148 PHE HN 111 LEU MDX 5.50 (# 1342:20 Unique 5.05, 7.12 A) &rst ixpk= 1342, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 111 LEU HA 111 LEU MDX 5.50 (# 1345:20 Unique 3.62, 4.35 A) &rst ixpk= 1345, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 111 LEU HB- 111 LEU MDX 2.80 (# 1346:20 Unique 2.20, 3.25 A) &rst ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1660,1661, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:1347 111 LEU MDX 2.80 (# 1347:20 Single Ambig) &rst ixpk= 1347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=2038,2039,2040,2042,2043,2044,1091,1092,1093, igr2=1665,1666,1667,1669,1670,1671, &end # # 59 LEU MDY 111 LEU MDX 3.50 (# 1348:20 Unique 2.67, 5.82 A) &rst ixpk= 1348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 849, 850, 851, 853, 854, 855, igr2=1665,1666,1667,1669,1670,1671, &end # # 73 ILE QG2 111 LEU MDX 2.80 (# 1349:20 Unique 2.08, 3.59 A) &rst ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1041,1042,1043, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:1350 26 CYS HB- 4.50 (# 1350:20 Single Ambig) &rst ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 348, 359, igr2= 352, 353, &end # # 26 CYS HA 26 CYS HB- 4.50 (# 1351:20 Unique 2.44, 2.78 A) &rst ixpk= 1351, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 352, 353, &end # # 0 AMB 20-2:1355 0 AMB 20-1:1355 3.50 (# 1355:20 Double Ambig) &rst ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 348, 359, igr2= 352, 353, 352, 353, &end # # 0 AMB 20-2:1358 0 AMB 20-1:1358 4.50 (# 1358:20 Double Ambig) &rst ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2069,2081,2082, igr2=2073,2074,2073,2074, &end # # 137 GLN HA 137 GLN HB+ 3.50 (# 1359:20 Unique 2.33, 2.43 A) &rst ixpk= 1359, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2073,2074, &end # # 137 GLN HG- 137 GLN HB+ 2.80 (# 1360:20 Unique 2.39, 2.74 A) &rst ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2076,2077, igr2=2073,2074, &end # # 78 PRO HD- 78 PRO HG+ 3.50 (# 1364:20 Unique 2.27, 2.61 A) &rst ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1129,1130, igr2=1132,1133, &end # # 70 PRO HD+ 70 PRO HG- 2.80 (# 1365:20 Unique 2.34, 2.63 A) &rst ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1000,1001, igr2=1003,1004, &end # # 0 AMB 20-2:1367 0 AMB 20-1:1367 2.80 (# 1367:20 Double Ambig) &rst ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=1450,1451,1452, 636, 637, 638,1607,1608,1609,1611, 1612,1613, igr2=1132,1133, 586, 587,1132,1133, &end # # 0 AMB 20-2:1368 137 GLN HB- 3.50 (# 1368:20 Single Ambig) &rst ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2069,2081,2082, igr2=2073,2074, &end # # 137 GLN HG- 137 GLN HB- 2.80 (# 1369:20 Unique 2.39, 2.74 A) &rst ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2076,2077, igr2=2073,2074, &end # # 0 AMB 20-2:1371 44 GLU HB- 4.50 (# 1371:20 Single Ambig) &rst ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384, 1385,1386, igr2= 586, 587, &end # # 93 PRO HA 0 AMB 20-1:1372 3.50 (# 1372:20 Single Ambig) &rst ixpk= 1372, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1361,1362,1361,1362, &end # # 0 AMB 20-2:1373 0 AMB 20-1:1373 2.80 (# 1373:20 Double Ambig) &rst ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1358,1359,1358,1359, igr2=1361,1362,1361,1362, &end # # 0 AMB 20-2:1374 0 AMB 20-1:1374 2.80 (# 1374:20 Double Ambig) &rst ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1358,1359, 227, 228, 227, 228, igr2=1361,1362,1361,1362, 253, 254, 253, 254, &end # # 20 PRO HB+ 20 PRO HG+ 3.50 (# 1375:20 Unique 2.36, 2.62 A) &rst ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 256, 257, igr2= 253, 254, &end # # 54 ARG HA 54 ARG HB- 2.80 (# 1377:20 Unique 2.50, 2.81 A) &rst ixpk= 1377, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 749, 750, &end # # 0 AMB 20-2:1378 54 ARG HB- 3.50 (# 1378:20 Single Ambig) &rst ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 755, 756, 755, 756, igr2= 749, 750, &end # # 78 PRO HD- 78 PRO HG- 2.80 (# 1381:20 Unique 2.27, 2.61 A) &rst ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1129,1130, igr2=1132,1133, &end # # 54 ARG HA 54 ARG HB+ 2.80 (# 1383:20 Unique 2.50, 2.81 A) &rst ixpk= 1383, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 749, 750, &end # # 0 AMB 20-2:1384 0 AMB 20-1:1384 3.50 (# 1384:20 Double Ambig) &rst ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 770, 771, 670, igr2= 773, 774, 773, 774, &end # # 0 AMB 20-2:1386 0 AMB 20-1:1386 2.80 (# 1386:20 Double Ambig) &rst ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=2024,2025,2026,1039, igr2=1045,1046,1045,1046, &end # # 0 AMB 20-2:1387 0 AMB 20-1:1387 2.80 (# 1387:20 Double Ambig) &rst ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1= 118, 119, 120, 122, 123, 124,1434,1435,1436,1438, 1439,1440,1573,1574,1575,1380,1381,1382,1384,1385, 1386, igr2= 572, 573, 572, 573, 572, 573, 773, 774, 572, 573, &end # # 73 ILE QG2 73 ILE HG1+ 4.50 (# 1389:20 Unique 2.24, 3.22 A) &rst ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1041,1042,1043, igr2=1045,1046, &end # # 0 AMB 20-2:1390 55 PRO HG- 4.50 (# 1390:20 Single Ambig) &rst ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 770, 771, 670, igr2= 773, 774, &end # # 4 VAL MGY 55 PRO HG- 3.50 (# 1391:20 Unique 2.06, 3.99 A) &rst ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 53, 54, 55, 57, 58, 59, igr2= 773, 774, &end # # 0 AMB 20-2:1392 55 PRO HG- 3.50 (# 1392:20 Single Ambig) &rst ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 674, 675, 676,1501,1502,1503,1505,1506,1507, igr2= 773, 774, &end # # 81 ILE HN 81 ILE HG1- 3.50 (# 1393:20 Unique 2.05, 2.88 A) &rst ixpk= 1393, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1176,1177, &end # # 81 ILE HA 81 ILE HG1- 4.50 (# 1394:20 Unique 2.35, 2.65 A) &rst ixpk= 1394, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1176,1177, &end # # 81 ILE HN 81 ILE HG1+ 4.50 (# 1396:20 Unique 2.05, 2.88 A) &rst ixpk= 1396, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1176,1177, &end # # 0 AMB 20-2:1399 0 AMB 20-1:1399 3.50 (# 1399:20 Double Ambig) &rst ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1638, 861, igr2= 869, 870, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:1401 73 ILE HG1- 4.50 (# 1401:20 Single Ambig) &rst ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2024,2025,2026,1039, igr2=1045,1046, &end # # 0 AMB 20-2:1403 26 CYS HB- 3.50 (# 1403:20 Single Ambig) &rst ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, igr2= 352, 353, &end # # 0 AMB 20-2:1405 0 AMB 20-1:1405 3.50 (# 1405:20 Double Ambig) &rst ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, igr2= 352, 353, 352, 353, &end # # 0 AMB 20-2:1406 0 AMB 20-1:1406 4.50 (# 1406:20 Double Ambig) &rst ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 399, 405, igr2= 393, 394, 393, 394, &end # # 30 PRO HD- 30 PRO HG+ 2.80 (# 1407:20 Unique 2.32, 2.62 A) &rst ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 390, 391, igr2= 393, 394, &end # # 30 PRO HD+ 30 PRO HG- 2.80 (# 1408:20 Unique 2.32, 2.62 A) &rst ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 390, 391, igr2= 393, 394, &end # # 44 GLU HA 44 GLU HB- 3.50 (# 1409:20 Unique 2.21, 2.41 A) &rst ixpk= 1409, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 586, 587, &end # # 47 ILE QD1 44 GLU HB- 5.50 (# 1410:20 Unique 2.35, 3.73 A) &rst ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 636, 637, 638, igr2= 586, 587, &end # # 123 PRO HD- 123 PRO HG- 3.50 (# 1411:20 Unique 2.30, 2.60 A) &rst ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1849,1850, igr2=1852,1853, &end # # 123 PRO HA 123 PRO HG+ 4.50 (# 1412:20 Unique 3.84, 3.99 A) &rst ixpk= 1412, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1852,1853, &end # # 123 PRO HD- 123 PRO HG+ 3.50 (# 1413:20 Unique 2.30, 2.60 A) &rst ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1849,1850, igr2=1852,1853, &end # # 123 PRO HD+ 123 PRO HG+ 3.50 (# 1414:20 Unique 2.30, 2.60 A) &rst ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1849,1850, igr2=1852,1853, &end # # 0 AMB 20-2:1415 0 AMB 20-1:1415 4.50 (# 1415:20 Double Ambig) &rst ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 578, 549, igr2= 572, 573, 572, 573, 572, 573, &end # # 43 PRO HD- 0 AMB 20-1:1416 3.50 (# 1416:20 Single Ambig) &rst ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 569, 570, igr2= 572, 573, 572, 573, &end # # 20 PRO HB+ 20 PRO HG- 3.50 (# 1417:20 Unique 2.36, 2.62 A) &rst ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 256, 257, igr2= 253, 254, &end # # 54 ARG HA 0 AMB 20-1:1418 3.50 (# 1418:20 Single Ambig) &rst ixpk= 1418, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 752, 753, 752, 753, &end # # 0 AMB 20-2:1419 0 AMB 20-1:1419 2.80 (# 1419:20 Double Ambig) &rst ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 755, 756, 755, 756, 755, 756, igr2= 752, 753, 752, 753, 752, 753, &end # # 75 ILE HA 75 ILE HG1- 4.50 (# 1422:20 Unique 3.18, 3.52 A) &rst ixpk= 1422, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1088,1089, &end # # 0 AMB 20-2:1423 0 AMB 20-1:1423 4.50 (# 1423:20 Double Ambig) &rst ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1617,1636, igr2=1627,1628,1627,1628, &end # # 109 ILE HA 109 ILE HG1+ 3.50 (# 1424:20 Unique 2.35, 3.17 A) &rst ixpk= 1424, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1627,1628, &end # # 76 ILE HN 76 ILE HG1+ 4.50 (# 1426:20 Unique 2.58, 3.13 A) &rst ixpk= 1426, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1107,1108, &end # # 75 ILE HA 75 ILE HG1+ 3.50 (# 1427:20 Unique 3.18, 3.52 A) &rst ixpk= 1427, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1088,1089, &end # # 0 AMB 20-2:1428 0 AMB 20-1:1428 3.50 (# 1428:20 Double Ambig) &rst ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2201,2202,2229,2230, igr2=1088,1089,1088,1089, &end # # 0 AMB 20-2:1429 0 AMB 20-1:1429 3.50 (# 1429:20 Double Ambig) &rst ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 265,1746, igr2= 270,1754,1755, &end # # 21 LEU HB+ 21 LEU HG 3.50 (# 1430:20 Unique 2.23, 2.74 A) &rst ixpk= 1430, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 267, 268, &end # # 113 ILE HA 113 ILE HG1- 4.50 (# 1431:20 Unique 2.55, 2.71 A) &rst ixpk= 1431, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1692,1693, &end # # 81 ILE QG2 81 ILE HG1- 2.80 (# 1432:20 Unique 2.41, 3.52 A) &rst ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1172,1173,1174, igr2=1176,1177, &end # # 0 AMB 20-2:1433 113 ILE HG1- 2.80 (# 1433:20 Single Ambig) &rst ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1=1045,1046,1665,1666,1667,1669,1670,1671,1695,1696, 1697, igr2=1692,1693, &end # # 109 ILE HA 109 ILE HG1- 4.50 (# 1434:20 Unique 2.35, 3.17 A) &rst ixpk= 1434, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1627,1628, &end # # 109 ILE QD1 109 ILE HG1- 2.80 (# 1436:20 Unique 2.29, 2.67 A) &rst ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1630,1631,1632, igr2=1627,1628, &end # # 109 ILE HB 109 ILE HG1- 3.50 (# 1437:20 Unique 2.64, 2.87 A) &rst ixpk= 1437, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1627,1628, &end # # 0 AMB 20-2:1438 0 AMB 20-1:1438 3.50 (# 1438:20 Double Ambig) &rst ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 492, 493, 494, 496, 497, 498,1607,1608,1609,1611, 1612,1613, igr2= 70,1627,1628, &end # # 5 LEU MDX 5 LEU HG 3.50 (# 1439:20 Unique 2.27, 2.65 A) &rst ixpk= 1439, nxpk= 20, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 72, 73, 74, 76, 77, 78, &end # # 5 LEU MDY 5 LEU HG 3.50 (# 1440:20 Unique 2.27, 2.65 A) &rst ixpk= 1440, nxpk= 20, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 72, 73, 74, 76, 77, 78, &end # # 111 LEU HA 111 LEU HG 4.50 (# 1441:20 Unique 2.46, 2.55 A) &rst ixpk= 1441, nxpk= 20, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 111 LEU MDX 111 LEU HG 2.80 (# 1442:20 Unique 2.38, 2.68 A) &rst ixpk= 1442, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1665,1666,1667,1669,1670,1671, &end # # 73 ILE QG2 111 LEU HG 4.50 (# 1443:20 Unique 2.35, 3.00 A) &rst ixpk= 1443, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1041,1042,1043, &end # # 76 ILE HA 76 ILE HG1- 4.50 (# 1444:20 Unique 2.69, 3.15 A) &rst ixpk= 1444, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1107,1108, &end # # 136 TYR HA 139 LEU MDX 3.50 (# 1446:20 Unique 2.18, 4.40 A) &rst ixpk= 1446, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1448 139 LEU MDX 2.80 (# 1448:20 Single Ambig) &rst ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=2117,2090,2091,2090,2091, igr2=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HB+ 139 LEU MDX 3.50 (# 1449:20 Unique 2.32, 3.51 A) &rst ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2114,2115, igr2=2119,2120,2121,2123,2124,2125, &end # # 31 LYS HB- 139 LEU MDX 4.50 (# 1450:20 Unique 2.57, 5.20 A) &rst ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 407, 408, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1451 139 LEU MDX 3.50 (# 1451:20 Single Ambig) &rst ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2114,2115, 70, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1452 139 LEU MDX 2.80 (# 1452:20 Single Ambig) &rst ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, 410, 411, igr2=2119,2120,2121,2123,2124,2125, &end # # 30 PRO HD+ 30 PRO HG+ 2.80 (# 1454:20 Unique 2.32, 2.62 A) &rst ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 390, 391, igr2= 393, 394, &end # # 30 PRO HB+ 30 PRO HG+ 2.80 (# 1455:20 Unique 2.36, 2.63 A) &rst ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 396, 397, igr2= 393, 394, &end # # 0 AMB 20-2:1456 30 PRO HG- 4.50 (# 1456:20 Single Ambig) &rst ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 399, 405, igr2= 393, 394, &end # # 30 PRO HD- 30 PRO HG- 3.50 (# 1457:20 Unique 2.32, 2.62 A) &rst ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 390, 391, igr2= 393, 394, &end # # 30 PRO HB+ 30 PRO HG- 3.50 (# 1458:20 Unique 2.36, 2.63 A) &rst ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 396, 397, igr2= 393, 394, &end # # 0 AMB 20-2:1459 53 LEU HG 2.80 (# 1459:20 Single Ambig) &rst ixpk= 1459, nxpk= 20, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, &end # # 138 ARG HA 138 ARG HG- 4.50 (# 1460:20 Unique 2.45, 3.16 A) &rst ixpk= 1460, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2093,2094, &end # # 138 ARG HD+ 138 ARG HG- 4.50 (# 1461:20 Unique 2.24, 2.62 A) &rst ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2096,2097, igr2=2093,2094, &end # # 0 AMB 20-2:1462 138 ARG HG- 2.80 (# 1462:20 Single Ambig) &rst ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2090,2091,2090,2091, igr2=2093,2094, &end # # 54 ARG HN 0 AMB 20-1:1463 3.50 (# 1463:20 Single Ambig) &rst ixpk= 1463, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 752, 753, 752, 753, &end # # 138 ARG HA 138 ARG HG+ 4.50 (# 1464:20 Unique 2.45, 3.16 A) &rst ixpk= 1464, nxpk= 20, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2093,2094, &end # # 138 ARG HD+ 138 ARG HG+ 4.50 (# 1465:20 Unique 2.24, 2.62 A) &rst ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2096,2097, igr2=2093,2094, &end # # 0 AMB 20-2:1466 0 AMB 20-1:1466 3.50 (# 1466:20 Double Ambig) &rst ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=2090,2091,2090,2091, igr2=2093,2094,2093,2094, &end # # 0 AMB 20-2:1467 0 AMB 20-1:1467 3.50 (# 1467:20 Double Ambig) &rst ixpk= 1467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 770, 771,1373, igr2=1570,1571,1378, &end # # 105 ILE HA 105 ILE HG1- 4.50 (# 1468:20 Unique 2.43, 2.78 A) &rst ixpk= 1468, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1570,1571, &end # # 148 PHE HB- 75 ILE HG1- 4.50 (# 1470:20 Unique 2.45, 3.22 A) &rst ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2229,2230, igr2=1088,1089, &end # # 0 AMB 20-2:1471 0 AMB 20-1:1471 2.80 (# 1471:20 Double Ambig) &rst ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1082,1621, igr2=1088,1089,1627,1628, &end # # 0 AMB 20-2:1472 0 AMB 20-1:1472 2.80 (# 1472:20 Double Ambig) &rst ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1623,1624,1625,2281,2282,2283,2285,2286,2287, igr2=1627,1628,2279,1107,1108, &end # # 97 LEU HA 97 LEU HG 3.50 (# 1473:20 Unique 2.48, 3.31 A) &rst ixpk= 1473, nxpk= 20, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 LEU HB+ 22 LEU HG 3.50 (# 1474:20 Unique 2.43, 2.80 A) &rst ixpk= 1474, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 286, 287, &end # # 0 AMB 20-2:1475 0 AMB 20-1:1475 2.80 (# 1475:20 Double Ambig) &rst ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1=2281,2282,2283,2285,2286,2287,1107,1108, 91, 92, 93, 95, 96, 97,1380,1381,1382,1384,1385,1386, igr2=2279,1432, &end # # 117 ILE HN 117 ILE HG1+ 4.50 (# 1476:20 Unique 2.18, 3.25 A) &rst ixpk= 1476, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1754,1755, &end # # 117 ILE HB 117 ILE HG1+ 2.80 (# 1477:20 Unique 2.35, 2.81 A) &rst ixpk= 1477, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1754,1755, &end # # 0 AMB 20-2:1479 0 AMB 20-1:1479 2.80 (# 1479:20 Double Ambig) &rst ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1=1045,1046, 86, 87, 953, 954, 955, 575, 576, igr2=1692,1693, 89,1061,1062, &end # # 37 ILE HA 37 ILE HG1+ 4.50 (# 1480:20 Unique 2.26, 2.72 A) &rst ixpk= 1480, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 512, 513, &end # # 0 AMB 20-2:1481 0 AMB 20-1:1481 2.80 (# 1481:20 Double Ambig) &rst ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1058,1059, 506, igr2=1061,1062, 512, 513, &end # # 37 ILE HA 37 ILE HG1- 4.50 (# 1483:20 Unique 2.26, 2.72 A) &rst ixpk= 1483, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 512, 513, &end # # 37 ILE HB 37 ILE HG1- 4.50 (# 1484:20 Unique 2.39, 2.73 A) &rst ixpk= 1484, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 512, 513, &end # # 0 AMB 20-2:1486 37 ILE HG1- 2.80 (# 1486:20 Single Ambig) &rst ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 515, 516, 517, 508, 509, 510, igr2= 512, 513, &end # # 117 ILE HA 117 ILE HG1- 4.50 (# 1487:20 Unique 3.35, 4.01 A) &rst ixpk= 1487, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1754,1755, &end # # 117 ILE QG2 117 ILE HG1- 2.80 (# 1489:20 Unique 2.19, 3.11 A) &rst ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1750,1751,1752, igr2=1754,1755, &end # # 105 ILE HA 105 ILE HG1+ 4.50 (# 1490:20 Unique 2.43, 2.78 A) &rst ixpk= 1490, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1570,1571, &end # # 0 AMB 20-2:1492 151 LEU MDX 2.80 (# 1492:20 Single Ambig) &rst ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=2279,1107,1108, igr2=2281,2282,2283,2285,2286,2287, &end # # 59 LEU HB+ 59 LEU HG 4.50 (# 1493:20 Unique 2.20, 2.70 A) &rst ixpk= 1493, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 844, 845, &end # # 59 LEU MDX 59 LEU HG 3.50 (# 1494:20 Unique 2.36, 2.66 A) &rst ixpk= 1494, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 849, 850, 851, 853, 854, 855, &end # # 5 LEU HB+ 5 LEU MDX 3.50 (# 1495:20 Unique 2.34, 3.35 A) &rst ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 67, 68, igr2= 72, 73, 74, 76, 77, 78, &end # # 22 LEU HG 5 LEU MDX 3.50 (# 1496:20 Unique 2.89, 4.53 A) &rst ixpk= 1496, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 72, 73, 74, 76, 77, 78, &end # # 5 LEU HG 5 LEU MDX 3.50 (# 1497:20 Unique 2.27, 2.65 A) &rst ixpk= 1497, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 72, 73, 74, 76, 77, 78, &end # # 36 VAL MGY 5 LEU MDX 2.80 (# 1498:20 Unique 2.30, 5.75 A) &rst ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 492, 493, 494, 496, 497, 498, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:1499 5 LEU MDX 2.80 (# 1499:20 Single Ambig) &rst ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:1500 5 LEU MDX 2.80 (# 1500:20 Single Ambig) &rst ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=2119,2120,2121,2123,2124,2125, 844, 845, igr2= 72, 73, 74, 76, 77, 78, &end # # 139 LEU MDY 5 LEU MDX 3.50 (# 1502:20 Unique 2.17, 4.90 A) &rst ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2119,2120,2121,2123,2124,2125, igr2= 72, 73, 74, 76, 77, 78, &end # # 126 GLN HN 126 GLN HB+ 4.50 (# 1503:20 Unique 2.13, 2.40 A) &rst ixpk= 1503, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1897,1898, &end # # 0 AMB 20-2:1504 0 AMB 20-1:1504 3.50 (# 1504:20 Double Ambig) &rst ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1911,1912,1895, igr2=1897,1898,1897,1898, &end # # 0 AMB 20-2:1505 0 AMB 20-1:1505 3.50 (# 1505:20 Double Ambig) &rst ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1900,1901,1900,1901, igr2=1897,1898,1897,1898, &end # # 0 AMB 20-2:1506 126 GLN HB- 3.50 (# 1506:20 Single Ambig) &rst ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1911,1912,1895, igr2=1897,1898, &end # # 0 AMB 20-2:1507 126 GLN HB- 3.50 (# 1507:20 Single Ambig) &rst ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1900,1901,1900,1901, igr2=1897,1898, &end # # 105 ILE HN 105 ILE HG1- 3.50 (# 1510:20 Unique 2.24, 3.01 A) &rst ixpk= 1510, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1570,1571, &end # # 5 LEU MDX 22 LEU HG 3.50 (# 1511:20 Unique 2.89, 4.53 A) &rst ixpk= 1511, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:1512 0 AMB 20-1:1512 3.50 (# 1512:20 Double Ambig) &rst ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1956,1957,1869,1870, igr2=1950,1951,1950,1951, &end # # 0 AMB 20-2:1513 0 AMB 20-1:1513 4.50 (# 1513:20 Double Ambig) &rst ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1956,1957,1869,1870, igr2=1950,1951,1950,1951, &end # # 129 LYS HN 129 LYS HG+ 4.50 (# 1514:20 Unique 2.31, 3.25 A) &rst ixpk= 1514, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1950,1951, &end # # 129 LYS HA 129 LYS HG+ 3.50 (# 1515:20 Unique 2.34, 2.76 A) &rst ixpk= 1515, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1950,1951, &end # # 0 AMB 20-2:1516 37 ILE HG1- 3.50 (# 1516:20 Single Ambig) &rst ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, igr2= 512, 513, &end # # 0 AMB 20-2:1517 0 AMB 20-1:1517 4.50 (# 1517:20 Double Ambig) &rst ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 773, 774, 749, 750, igr2=1570,1571,1570,1571, &end # # 105 ILE QD1 105 ILE HG1+ 2.80 (# 1518:20 Unique 2.31, 2.66 A) &rst ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1573,1574,1575, igr2=1570,1571, &end # # 0 AMB 20-2:1519 0 AMB 20-1:1519 3.50 (# 1519:20 Double Ambig) &rst ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1991, 474, 318, 319, igr2= 272, 273, 274, 276, 277, 278, 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:1520 21 LEU MDX 4.50 (# 1520:20 Single Ambig) &rst ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1866,1867,1953,1954, igr2= 272, 273, 274, 276, 277, 278, &end # # 53 LEU HN 53 LEU MDX 4.50 (# 1521:20 Unique 2.84, 4.36 A) &rst ixpk= 1521, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 735, 736, 737, 739, 740, 741, &end # # 53 LEU HA 53 LEU MDX 3.50 (# 1522:20 Unique 2.11, 3.60 A) &rst ixpk= 1522, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 735, 736, 737, 739, 740, 741, &end # # 50 ILE HA 53 LEU MDX 3.50 (# 1523:20 Unique 2.49, 5.01 A) &rst ixpk= 1523, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:1524 53 LEU MDX 2.80 (# 1524:20 Single Ambig) &rst ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 733, 773, 774, igr2= 735, 736, 737, 739, 740, 741, &end # # 68 LEU HA 68 LEU MDX 4.50 (# 1525:20 Unique 2.17, 3.84 A) &rst ixpk= 1525, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:1526 68 LEU MDX 4.50 (# 1526:20 Single Ambig) &rst ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1027,1028,1064,1065, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:1527 68 LEU MDX 2.80 (# 1527:20 Single Ambig) &rst ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 953, 954, 955,2321,2322, igr2= 975, 976, 977, 979, 980, 981, &end # # 68 LEU HB+ 68 LEU MDX 3.50 (# 1528:20 Unique 2.35, 3.30 A) &rst ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 970, 971, igr2= 975, 976, 977, 979, 980, 981, &end # # 151 LEU MDY 68 LEU MDX 2.80 (# 1529:20 Unique 2.46, 6.10 A) &rst ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=2281,2282,2283,2285,2286,2287, igr2= 975, 976, 977, 979, 980, 981, &end # # 111 LEU HB+ 111 LEU MDY 3.50 (# 1531:20 Unique 2.20, 3.25 A) &rst ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1660,1661, igr2=1665,1666,1667,1669,1670,1671, &end # # 113 ILE HG1- 111 LEU MDY 4.50 (# 1532:20 Unique 2.22, 4.76 A) &rst ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1692,1693, igr2=1665,1666,1667,1669,1670,1671, &end # # 113 ILE HB 111 LEU MDY 4.50 (# 1533:20 Unique 4.58, 6.91 A) &rst ixpk= 1533, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1665,1666,1667,1669,1670,1671, &end # # 135 VAL MGY 111 LEU MDY 4.50 (# 1534:20 Unique 2.13, 4.16 A) &rst ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2038,2039,2040,2042,2043,2044, igr2=1665,1666,1667,1669,1670,1671, &end # # 73 ILE QG2 111 LEU MDY 3.50 (# 1535:20 Unique 2.08, 3.59 A) &rst ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1041,1042,1043, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:1536 101 LEU HG 2.80 (# 1536:20 Single Ambig) &rst ixpk= 1536, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575,1434, 1435,1436,1438,1439,1440, &end # # 57 ARG HA 0 AMB 20-1:1537 4.50 (# 1537:20 Single Ambig) &rst ixpk= 1537, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 804, 805, 804, 805, &end # # 0 AMB 20-2:1538 0 AMB 20-1:1538 3.50 (# 1538:20 Double Ambig) &rst ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 807, 808, 807, 808, igr2= 804, 805, 804, 805, &end # # 57 ARG HD- 0 AMB 20-1:1539 3.50 (# 1539:20 Single Ambig) &rst ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 807, 808, igr2= 804, 805, 804, 805, &end # # 0 AMB 20-2:1541 21 LEU MDX 4.50 (# 1541:20 Single Ambig) &rst ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 282, 263, 301, igr2= 272, 273, 274, 276, 277, 278, &end # # 129 LYS HA 21 LEU MDX 3.50 (# 1542:20 Unique 2.35, 4.12 A) &rst ixpk= 1542, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1543 21 LEU MDX 4.50 (# 1543:20 Single Ambig) &rst ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 339, 340, 339, 340, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1544 21 LEU MDX 2.80 (# 1544:20 Single Ambig) &rst ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 270, 267, 268,1950,1951, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1545 101 LEU MDX 4.50 (# 1545:20 Single Ambig) &rst ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1492,1475, igr2=1501,1502,1503,1505,1506,1507, &end # # 47 ILE HA 101 LEU MDX 4.50 (# 1546:20 Unique 2.12, 3.80 A) &rst ixpk= 1546, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1501,1502,1503,1505,1506,1507, &end # # 0 AMB 20-2:1547 101 LEU MDX 2.80 (# 1547:20 Single Ambig) &rst ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1499, 633, 634, igr2=1501,1502,1503,1505,1506,1507, &end # # 139 LEU HN 139 LEU HG 4.50 (# 1548:20 Unique 2.42, 3.45 A) &rst ixpk= 1548, nxpk= 20, iat=2110,2117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 TYR HA 139 LEU HG 4.50 (# 1549:20 Unique 2.45, 3.39 A) &rst ixpk= 1549, nxpk= 20, iat=2050,2117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 LEU HB+ 139 LEU HG 4.50 (# 1550:20 Unique 2.19, 2.41 A) &rst ixpk= 1550, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2114,2115, &end # # 0 AMB 20-2:1551 139 LEU HG 4.50 (# 1551:20 Single Ambig) &rst ixpk= 1551, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 410, 411, 291, 292, 293, 295, 296, 297, &end # # 139 LEU MDX 139 LEU HG 2.80 (# 1552:20 Unique 2.29, 2.65 A) &rst ixpk= 1552, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDY 139 LEU HG 3.50 (# 1553:20 Unique 2.29, 2.65 A) &rst ixpk= 1553, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2119,2120,2121,2123,2124,2125, &end # # 44 GLU HA 97 LEU MDX 3.50 (# 1554:20 Unique 2.25, 4.18 A) &rst ixpk= 1554, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HA 97 LEU MDX 3.50 (# 1555:20 Unique 2.62, 4.26 A) &rst ixpk= 1555, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:1556 97 LEU MDX 2.80 (# 1556:20 Single Ambig) &rst ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 575, 576, 575, 576, 572, 573, 572, 573, igr2=1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:1557 97 LEU MDX 3.50 (# 1557:20 Single Ambig) &rst ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1429,1430,1454,1455, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HG 97 LEU MDX 3.50 (# 1558:20 Unique 2.34, 2.64 A) &rst ixpk= 1558, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1434,1435,1436,1438,1439,1440, &end # # 6 LEU HA 6 LEU MDX 4.50 (# 1559:20 Unique 2.22, 3.91 A) &rst ixpk= 1559, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 91, 92, 93, 95, 96, 97, &end # # 44 GLU HA 97 LEU MDY 4.50 (# 1560:20 Unique 2.25, 4.18 A) &rst ixpk= 1560, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HA 97 LEU MDY 4.50 (# 1561:20 Unique 2.62, 4.26 A) &rst ixpk= 1561, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1434,1435,1436,1438,1439,1440, &end # # 98 ILE HA 97 LEU MDY 3.50 (# 1562:20 Unique 2.57, 5.20 A) &rst ixpk= 1562, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:1563 0 AMB 20-1:1563 2.80 (# 1563:20 Double Ambig) &rst ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1= 575, 576, 575, 576, 575, 576, 572, 573, 572, 573, 86, 87, igr2=1434,1435,1436,1438,1439,1440, 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:1564 97 LEU MDY 2.80 (# 1564:20 Single Ambig) &rst ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1432,1375,1376, igr2=1434,1435,1436,1438,1439,1440, &end # # 6 LEU HG 6 LEU MDX 2.80 (# 1565:20 Unique 2.30, 2.64 A) &rst ixpk= 1565, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 91, 92, 93, 95, 96, 97, &end # # 118 VAL MGX 115 PRO HG+ 3.50 (# 1568:20 Unique 3.34, 5.67 A) &rst ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1769,1770,1771,1773,1774,1775, igr2=1722,1723, &end # # 25 LYS HN 25 LYS HG- 4.50 (# 1569:20 Unique 2.22, 2.87 A) &rst ixpk= 1569, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 333, 334, &end # # 0 AMB 20-2:1570 25 LYS HG- 4.50 (# 1570:20 Single Ambig) &rst ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 328, 284, igr2= 333, 334, &end # # 25 LYS HB+ 25 LYS HG- 3.50 (# 1572:20 Unique 2.36, 2.75 A) &rst ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 330, 331, igr2= 333, 334, &end # # 0 AMB 20-2:1574 0 AMB 20-1:1574 3.50 (# 1574:20 Double Ambig) &rst ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 328, 284, igr2= 333, 334, 333, 334, &end # # 25 LYS HB+ 25 LYS HG+ 3.50 (# 1576:20 Unique 2.36, 2.75 A) &rst ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 330, 331, igr2= 333, 334, &end # # 59 LEU HN 58 LEU MDY 3.50 (# 1577:20 Unique 1.86, 4.20 A) &rst ixpk= 1577, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 830, 831, 832, 834, 835, 836, &end # # 58 LEU HA 58 LEU MDY 3.50 (# 1578:20 Unique 2.36, 4.03 A) &rst ixpk= 1578, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:1579 58 LEU MDY 4.50 (# 1579:20 Single Ambig) &rst ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 842, 49, igr2= 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:1580 58 LEU MDY 2.80 (# 1580:20 Single Ambig) &rst ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 86, 87, 51, igr2= 830, 831, 832, 834, 835, 836, &end # # 58 LEU HG 58 LEU MDY 2.80 (# 1581:20 Unique 2.37, 2.64 A) &rst ixpk= 1581, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 830, 831, 832, 834, 835, 836, &end # # 85 PHE HD 94 LEU MDX 4.50 (# 1582:20 Unique 2.24, 6.08 A) &rst ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1235,1243, igr2=1380,1381,1382,1384,1385,1386, &end # # 94 LEU HA 94 LEU MDX 2.80 (# 1584:20 Unique 2.09, 3.75 A) &rst ixpk= 1584, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1380,1381,1382,1384,1385,1386, &end # # 62 ASP HB+ 94 LEU MDX 4.50 (# 1585:20 Unique 4.05, 6.51 A) &rst ixpk= 1585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 898, 899, igr2=1380,1381,1382,1384,1385,1386, &end # # 94 LEU HG 94 LEU MDX 2.80 (# 1586:20 Unique 2.40, 2.67 A) &rst ixpk= 1586, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1380,1381,1382,1384,1385,1386, &end # # 94 LEU HB- 94 LEU MDX 3.50 (# 1587:20 Unique 2.42, 3.33 A) &rst ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1375,1376, igr2=1380,1381,1382,1384,1385,1386, &end # # 102 LYS HN 102 LYS HG+ 4.50 (# 1590:20 Unique 2.86, 3.81 A) &rst ixpk= 1590, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1518,1519, &end # # 0 AMB 20-2:1591 0 AMB 20-1:1591 4.50 (# 1591:20 Double Ambig) &rst ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1524,1525,1524,1525, igr2=1518,1519,1518,1519, &end # # 0 AMB 20-2:1593 0 AMB 20-1:1593 3.50 (# 1593:20 Double Ambig) &rst ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1607,1608,1609,1611,1612,1613,1450,1451,1452, igr2=1518,1519,1518,1519, &end # # 0 AMB 20-2:1594 102 LYS HG- 3.50 (# 1594:20 Single Ambig) &rst ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1=1515,1516,1605,1537,1538, igr2=1518,1519, &end # # 0 AMB 20-2:1595 102 LYS HG- 3.50 (# 1595:20 Single Ambig) &rst ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1524,1525,1524,1525, igr2=1518,1519, &end # # 132 VAL HN 132 VAL MGY 2.80 (# 1596:20 Unique 2.34, 3.82 A) &rst ixpk= 1596, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1597 132 VAL MGY 4.50 (# 1597:20 Single Ambig) &rst ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 282, 263, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1598 132 VAL MGY 4.50 (# 1598:20 Single Ambig) &rst ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2003,1943, igr2=1993,1994,1995,1997,1998,1999, &end # # 18 ALA HA 132 VAL MGY 2.80 (# 1599:20 Unique 2.15, 3.66 A) &rst ixpk= 1599, nxpk= 20, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1993,1994,1995,1997,1998,1999, &end # # 132 VAL HA 132 VAL MGY 2.80 (# 1600:20 Unique 2.40, 3.12 A) &rst ixpk= 1600, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1601 132 VAL MGY 4.50 (# 1601:20 Single Ambig) &rst ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 286, 287, 339, 340, 339, 340, igr2=1993,1994,1995,1997,1998,1999, &end # # 132 VAL HB 132 VAL MGY 2.80 (# 1602:20 Unique 2.36, 2.68 A) &rst ixpk= 1602, nxpk= 20, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1603 132 VAL MGY 3.50 (# 1603:20 Single Ambig) &rst ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1981,1982,1983,1934,1935, 882, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1604 132 VAL MGY 2.80 (# 1604:20 Single Ambig) &rst ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 286, 287, 236, 237, 238, 336, 337, igr2=1993,1994,1995,1997,1998,1999, &end # # 113 ILE QD1 132 VAL MGY 2.80 (# 1605:20 Unique 2.44, 4.54 A) &rst ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1695,1696,1697, igr2=1993,1994,1995,1997,1998,1999, &end # # 94 LEU HA 94 LEU MDY 3.50 (# 1606:20 Unique 2.09, 3.75 A) &rst ixpk= 1606, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1380,1381,1382,1384,1385,1386, &end # # 94 LEU HG 94 LEU MDY 2.80 (# 1607:20 Unique 2.40, 2.67 A) &rst ixpk= 1607, nxpk= 20, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1380,1381,1382,1384,1385,1386, &end # # 94 LEU HB- 94 LEU MDY 3.50 (# 1608:20 Unique 2.42, 3.33 A) &rst ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1375,1376, igr2=1380,1381,1382,1384,1385,1386, &end # # 5 LEU HA 59 LEU MDX 4.50 (# 1610:20 Unique 3.46, 5.59 A) &rst ixpk= 1610, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1611 59 LEU MDX 4.50 (# 1611:20 Single Ambig) &rst ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1621,1660,1661, igr2= 849, 850, 851, 853, 854, 855, &end # # 59 LEU HB+ 59 LEU MDX 2.80 (# 1612:20 Unique 2.38, 3.35 A) &rst ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 844, 845, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1613 59 LEU MDX 4.50 (# 1613:20 Single Ambig) &rst ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1614 59 LEU MDX 3.50 (# 1614:20 Single Ambig) &rst ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr1= 844, 845,2119,2120,2121,2123,2124,2125,1665,1666, 1667,1669,1670,1671, igr2= 849, 850, 851, 853, 854, 855, &end # # 139 LEU MDY 59 LEU MDX 2.80 (# 1616:20 Unique 2.56, 5.55 A) &rst ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=2119,2120,2121,2123,2124,2125, igr2= 849, 850, 851, 853, 854, 855, &end # # 151 LEU HA 151 LEU MDY 2.80 (# 1617:20 Unique 2.18, 3.80 A) &rst ixpk= 1617, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2281,2282,2283,2285,2286,2287, &end # # 31 LYS HA 31 LYS HG+ 4.50 (# 1618:20 Unique 2.90, 3.58 A) &rst ixpk= 1618, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 410, 411, &end # # 0 AMB 20-2:1619 0 AMB 20-1:1619 3.50 (# 1619:20 Double Ambig) &rst ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 413, 414, 407, 408, igr2= 410, 411, 410, 411, &end # # 0 AMB 20-2:1621 151 LEU MDY 2.80 (# 1621:20 Single Ambig) &rst ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=2279,1107,1108, igr2=2281,2282,2283,2285,2286,2287, &end # # 136 TYR HN 135 VAL MGY 5.50 (# 1623:20 Unique 2.38, 4.23 A) &rst ixpk= 1623, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2038,2039,2040,2042,2043,2044, &end # # 135 VAL HN 135 VAL MGY 2.80 (# 1624:20 Unique 1.98, 3.76 A) &rst ixpk= 1624, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2038,2039,2040,2042,2043,2044, &end # # 134 THR HB 135 VAL MGY 4.50 (# 1627:20 Unique 3.54, 6.10 A) &rst ixpk= 1627, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=2038,2039,2040,2042,2043,2044, &end # # 135 VAL HA 135 VAL MGY 2.80 (# 1628:20 Unique 2.49, 3.31 A) &rst ixpk= 1628, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2038,2039,2040,2042,2043,2044, &end # # 132 VAL HA 135 VAL MGY 4.50 (# 1629:20 Unique 2.03, 4.42 A) &rst ixpk= 1629, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=2038,2039,2040,2042,2043,2044, &end # # 135 VAL HB 135 VAL MGY 2.80 (# 1630:20 Unique 2.35, 2.65 A) &rst ixpk= 1630, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 20-2:1631 135 VAL MGY 2.80 (# 1631:20 Single Ambig) &rst ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888, 889, 890, igr2=2038,2039,2040,2042,2043,2044, &end # # 73 ILE QG2 135 VAL MGY 4.50 (# 1632:20 Unique 2.26, 5.02 A) &rst ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1041,1042,1043, igr2=2038,2039,2040,2042,2043,2044, &end # # 60 ILE HN 59 LEU MDY 3.50 (# 1633:20 Unique 1.94, 4.29 A) &rst ixpk= 1633, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 849, 850, 851, 853, 854, 855, &end # # 142 TRP HZ2 59 LEU MDY 4.50 (# 1634:20 Unique 2.48, 4.89 A) &rst ixpk= 1634, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 849, 850, 851, 853, 854, 855, &end # # 59 LEU HA 59 LEU MDY 3.50 (# 1635:20 Unique 2.32, 4.01 A) &rst ixpk= 1635, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1636 59 LEU MDY 2.80 (# 1636:20 Single Ambig) &rst ixpk= 1636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1621,1660,1661, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1637 59 LEU MDY 4.50 (# 1637:20 Single Ambig) &rst ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1627,1628, 863, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1638 59 LEU MDY 2.80 (# 1638:20 Single Ambig) &rst ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=1623,1624,1625,1660,1661,1630,1631,1632, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1639 59 LEU MDY 2.80 (# 1639:20 Single Ambig) &rst ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 844, 845,2119,2120,2121,2123,2124,2125,1665,1666, 1667,1669,1670,1671, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:1641 101 LEU MDY 5.50 (# 1641:20 Single Ambig) &rst ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 697, 698, 697, 698, igr2=1501,1502,1503,1505,1506,1507, &end # # 136 TYR HN 22 LEU MDY 4.50 (# 1642:20 Unique 3.34, 4.98 A) &rst ixpk= 1642, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HD 22 LEU MDY 3.50 (# 1643:20 Unique 2.41, 6.35 A) &rst ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2056,2065, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HA 22 LEU MDY 2.80 (# 1644:20 Unique 2.35, 4.27 A) &rst ixpk= 1644, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:1645 22 LEU MDY 2.80 (# 1645:20 Single Ambig) &rst ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 303, 284, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HB+ 22 LEU MDY 3.50 (# 1646:20 Unique 2.31, 4.92 A) &rst ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2052,2053, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HB- 22 LEU MDY 3.50 (# 1647:20 Unique 2.31, 4.92 A) &rst ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2052,2053, igr2= 291, 292, 293, 295, 296, 297, &end # # 22 LEU HB+ 22 LEU MDY 3.50 (# 1649:20 Unique 2.23, 3.25 A) &rst ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 286, 287, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:1650 22 LEU MDY 2.80 (# 1650:20 Single Ambig) &rst ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1=2119,2120,2121,2123,2124,2125, 330, 331, igr2= 291, 292, 293, 295, 296, 297, &end # # 4 VAL HN 4 VAL MGY 4.50 (# 1652:20 Unique 2.18, 4.18 A) &rst ixpk= 1652, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 53, 54, 55, 57, 58, 59, &end # # 4 VAL HA 4 VAL MGY 3.50 (# 1653:20 Unique 2.38, 3.19 A) &rst ixpk= 1653, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 53, 54, 55, 57, 58, 59, &end # # 55 PRO HA 4 VAL MGY 4.50 (# 1654:20 Unique 3.00, 5.38 A) &rst ixpk= 1654, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:1655 4 VAL MGY 4.50 (# 1655:20 Single Ambig) &rst ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 670, 770, 771, igr2= 53, 54, 55, 57, 58, 59, &end # # 55 PRO HB+ 4 VAL MGY 2.80 (# 1656:20 Unique 2.15, 4.66 A) &rst ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 776, 777, igr2= 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:1657 4 VAL MGY 2.80 (# 1657:20 Single Ambig) &rst ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 773, 774, 51, 86, 87, igr2= 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:1658 4 VAL MGY 3.50 (# 1658:20 Single Ambig) &rst ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 773, 774, 506, igr2= 53, 54, 55, 57, 58, 59, &end # # 53 LEU HN 53 LEU MDY 4.50 (# 1659:20 Unique 2.84, 4.36 A) &rst ixpk= 1659, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:1660 53 LEU MDY 3.50 (# 1660:20 Single Ambig) &rst ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 773, 774, 506, igr2= 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:1661 101 LEU MDY 4.50 (# 1661:20 Single Ambig) &rst ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1492,1475, igr2=1501,1502,1503,1505,1506,1507, &end # # 101 LEU HA 101 LEU MDY 2.80 (# 1662:20 Unique 2.19, 3.88 A) &rst ixpk= 1662, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1501,1502,1503,1505,1506,1507, &end # # 51 ARG HA 101 LEU MDY 4.50 (# 1663:20 Unique 2.73, 5.65 A) &rst ixpk= 1663, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1501,1502,1503,1505,1506,1507, &end # # 47 ILE HA 101 LEU MDY 4.50 (# 1664:20 Unique 2.12, 3.80 A) &rst ixpk= 1664, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1501,1502,1503,1505,1506,1507, &end # # 0 AMB 20-2:1665 101 LEU MDY 2.80 (# 1665:20 Single Ambig) &rst ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1499, 633, 634, igr2=1501,1502,1503,1505,1506,1507, &end # # 6 LEU HN 5 LEU MDY 3.50 (# 1666:20 Unique 2.13, 4.53 A) &rst ixpk= 1666, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 72, 73, 74, 76, 77, 78, &end # # 5 LEU HA 5 LEU MDY 3.50 (# 1667:20 Unique 2.30, 3.96 A) &rst ixpk= 1667, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 72, 73, 74, 76, 77, 78, &end # # 5 LEU HB+ 5 LEU MDY 3.50 (# 1668:20 Unique 2.34, 3.35 A) &rst ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 67, 68, igr2= 72, 73, 74, 76, 77, 78, &end # # 22 LEU HG 5 LEU MDY 4.50 (# 1669:20 Unique 2.89, 4.53 A) &rst ixpk= 1669, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 72, 73, 74, 76, 77, 78, &end # # 5 LEU HG 5 LEU MDY 2.80 (# 1670:20 Unique 2.27, 2.65 A) &rst ixpk= 1670, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:1671 5 LEU MDY 2.80 (# 1671:20 Single Ambig) &rst ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:1672 5 LEU MDY 2.80 (# 1672:20 Single Ambig) &rst ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=2119,2120,2121,2123,2124,2125, 884, 885, 886, 888, 889, 890, 844, 845, igr2= 72, 73, 74, 76, 77, 78, &end # # 139 LEU MDY 5 LEU MDY 4.50 (# 1675:20 Unique 2.17, 4.90 A) &rst ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2119,2120,2121,2123,2124,2125, igr2= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDX 5 LEU MDY 2.80 (# 1676:20 Unique 2.26, 6.12 A) &rst ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 849, 850, 851, 853, 854, 855, igr2= 72, 73, 74, 76, 77, 78, &end # # 56 THR HN 56 THR MG2 5.50 (# 1677:20 Unique 4.02, 4.36 A) &rst ixpk= 1677, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 789, 790, 791, &end # # 56 THR HA 56 THR MG2 2.80 (# 1678:20 Unique 2.45, 3.22 A) &rst ixpk= 1678, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 789, 790, 791, &end # # 56 THR HB 56 THR MG2 2.80 (# 1679:20 Unique 2.24, 2.61 A) &rst ixpk= 1679, nxpk= 20, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 789, 790, 791, &end # # 48 VAL HN 48 VAL MGY 2.80 (# 1680:20 Unique 1.94, 3.68 A) &rst ixpk= 1680, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 648, 649, 650, 652, 653, 654, &end # # 49 ALA HN 48 VAL MGY 4.50 (# 1681:20 Unique 3.86, 4.71 A) &rst ixpk= 1681, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 648, 649, 650, 652, 653, 654, &end # # 48 VAL HA 48 VAL MGY 2.80 (# 1682:20 Unique 2.49, 3.18 A) &rst ixpk= 1682, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:1683 48 VAL MGY 2.80 (# 1683:20 Single Ambig) &rst ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 646, 715, 716, 715, 716, igr2= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:1684 21 LEU MDY 2.80 (# 1684:20 Single Ambig) &rst ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1991, 315, 316, 315, 316, igr2= 272, 273, 274, 276, 277, 278, &end # # 53 LEU HA 53 LEU MDY 2.80 (# 1685:20 Unique 2.11, 3.60 A) &rst ixpk= 1685, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:1686 53 LEU MDY 2.80 (# 1686:20 Single Ambig) &rst ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 733, 773, 774, igr2= 735, 736, 737, 739, 740, 741, &end # # 39 GLY HN 6 LEU MDY 4.50 (# 1687:20 Unique 2.20, 4.27 A) &rst ixpk= 1687, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:1688 6 LEU MDY 3.50 (# 1688:20 Single Ambig) &rst ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 101, 521, igr2= 91, 92, 93, 95, 96, 97, &end # # 6 LEU HA 6 LEU MDY 2.80 (# 1689:20 Unique 2.22, 3.91 A) &rst ixpk= 1689, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 91, 92, 93, 95, 96, 97, &end # # 39 GLY HA- 6 LEU MDY 3.50 (# 1690:20 Unique 2.21, 4.69 A) &rst ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 535, 536, igr2= 91, 92, 93, 95, 96, 97, &end # # 46 ASP HB+ 6 LEU MDY 4.50 (# 1691:20 Unique 2.66, 4.50 A) &rst ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 615, 616, igr2= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:1692 6 LEU MDY 4.50 (# 1692:20 Single Ambig) &rst ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 575, 576, 575, 576, 86, 87, igr2= 91, 92, 93, 95, 96, 97, &end # # 37 ILE HB 6 LEU MDY 4.50 (# 1693:20 Unique 3.11, 4.85 A) &rst ixpk= 1693, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 91, 92, 93, 95, 96, 97, &end # # 6 LEU HG 6 LEU MDY 2.80 (# 1694:20 Unique 2.30, 2.64 A) &rst ixpk= 1694, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 91, 92, 93, 95, 96, 97, &end # # 117 ILE HN 125 THR MG2 4.50 (# 1695:20 Unique 3.53, 4.54 A) &rst ixpk= 1695, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1885,1886,1887, &end # # 125 THR HA 125 THR MG2 2.80 (# 1696:20 Unique 2.39, 3.05 A) &rst ixpk= 1696, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1885,1886,1887, &end # # 127 PRO HD- 125 THR MG2 5.50 (# 1697:20 Unique 2.70, 5.04 A) &rst ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1911,1912, igr2=1885,1886,1887, &end # # 116 ASP HB+ 125 THR MG2 4.50 (# 1698:20 Unique 2.44, 5.00 A) &rst ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1736,1737, igr2=1885,1886,1887, &end # # 116 ASP HB- 125 THR MG2 4.50 (# 1699:20 Unique 2.44, 5.00 A) &rst ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1736,1737, igr2=1885,1886,1887, &end # # 0 AMB 20-2:1700 125 THR MG2 3.50 (# 1700:20 Single Ambig) &rst ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1914,1915,1852,1853,1852,1853,1006,1007, igr2=1885,1886,1887, &end # # 117 ILE HG1+ 125 THR MG2 3.50 (# 1701:20 Unique 2.12, 3.31 A) &rst ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1754,1755, igr2=1885,1886,1887, &end # # 117 ILE HG1- 125 THR MG2 2.80 (# 1702:20 Unique 2.12, 3.31 A) &rst ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1754,1755, igr2=1885,1886,1887, &end # # 117 ILE QG2 125 THR MG2 4.50 (# 1703:20 Unique 2.08, 3.70 A) &rst ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1750,1751,1752, igr2=1885,1886,1887, &end # # 125 THR HN 125 THR MG2 4.50 (# 1704:20 Unique 2.31, 3.54 A) &rst ixpk= 1704, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1885,1886,1887, &end # # 0 AMB 20-2:1705 21 LEU MDY 4.50 (# 1705:20 Single Ambig) &rst ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 282, 263, 301, igr2= 272, 273, 274, 276, 277, 278, &end # # 21 LEU HA 21 LEU MDY 2.80 (# 1706:20 Unique 2.30, 3.86 A) &rst ixpk= 1706, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1707 21 LEU MDY 3.50 (# 1707:20 Single Ambig) &rst ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 339, 340, 339, 340, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1708 21 LEU MDY 2.80 (# 1708:20 Single Ambig) &rst ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 270, 267, 268, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:1709 135 VAL MGX 4.50 (# 1709:20 Single Ambig) &rst ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2050,2020, igr2=2038,2039,2040,2042,2043,2044, &end # # 132 VAL HN 132 VAL MGX 4.50 (# 1710:20 Unique 2.34, 3.82 A) &rst ixpk= 1710, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1711 132 VAL MGX 3.50 (# 1711:20 Single Ambig) &rst ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 282, 263, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1712 0 AMB 20-1:1712 4.50 (# 1712:20 Double Ambig) &rst ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2005,1979, 265, igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042, 2043,2044, &end # # 0 AMB 20-2:1713 132 VAL MGX 2.80 (# 1713:20 Single Ambig) &rst ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 284,1926, igr2=1993,1994,1995,1997,1998,1999, &end # # 132 VAL HA 0 AMB 20-1:1714 2.80 (# 1714:20 Single Ambig) &rst ixpk= 1714, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 20-2:1715 132 VAL MGX 2.80 (# 1715:20 Single Ambig) &rst ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 286, 287, 339, 340, 339, 340, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:1716 0 AMB 20-1:1716 3.50 (# 1716:20 Double Ambig) &rst ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1692,1693,1950,1951, igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 48 VAL HN 101 LEU MDY 5.50 (# 1718:20 Unique 5.26, 6.97 A) &rst ixpk= 1718, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1501,1502,1503,1505,1506,1507, &end # # 0 AMB 20-2:1719 134 THR MG2 4.50 (# 1719:20 Single Ambig) &rst ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2018,2081,2082,2069, igr2=2024,2025,2026, &end # # 135 VAL HN 134 THR MG2 4.50 (# 1720:20 Unique 3.05, 4.09 A) &rst ixpk= 1720, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2024,2025,2026, &end # # 134 THR HB 134 THR MG2 2.80 (# 1723:20 Unique 2.31, 2.59 A) &rst ixpk= 1723, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2024,2025,2026, &end # # 131 ALA HA 134 THR MG2 4.50 (# 1724:20 Unique 3.44, 4.09 A) &rst ixpk= 1724, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2024,2025,2026, &end # # 134 THR HA 134 THR MG2 3.50 (# 1725:20 Unique 2.63, 3.41 A) &rst ixpk= 1725, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=2024,2025,2026, &end # # 135 VAL HA 134 THR MG2 4.50 (# 1726:20 Unique 3.56, 4.56 A) &rst ixpk= 1726, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2024,2025,2026, &end # # 0 AMB 20-2:1728 2 THR MG2 3.50 (# 1728:20 Single Ambig) &rst ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 35, 21, igr2= 27, 28, 29, &end # # 0 AMB 20-2:1729 88 THR MG2 4.50 (# 1729:20 Single Ambig) &rst ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1295,1309, igr2=1287,1288,1289, &end # # 88 THR HN 88 THR MG2 4.50 (# 1730:20 Unique 1.82, 2.91 A) &rst ixpk= 1730, nxpk= 20, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1287,1288,1289, &end # # 0 AMB 20-2:1731 88 THR MG2 2.80 (# 1731:20 Single Ambig) &rst ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1285, 918, igr2=1287,1288,1289, &end # # 2 THR HB 2 THR MG2 2.80 (# 1732:20 Unique 2.44, 2.68 A) &rst ixpk= 1732, nxpk= 20, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 27, 28, 29, &end # # 2 THR HA 2 THR MG2 3.50 (# 1733:20 Unique 2.38, 3.03 A) &rst ixpk= 1733, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 27, 28, 29, &end # # 0 AMB 20-2:1734 89 THR MG2 4.50 (# 1734:20 Single Ambig) &rst ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1295,1309, igr2=1301,1302,1303, &end # # 0 AMB 20-2:1735 89 THR MG2 2.80 (# 1735:20 Single Ambig) &rst ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1299,1297, igr2=1301,1302,1303, &end # # 37 ILE HN 36 VAL MGY 4.50 (# 1736:20 Unique 2.74, 4.41 A) &rst ixpk= 1736, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 492, 493, 494, 496, 497, 498, &end # # 5 LEU HN 36 VAL MGY 4.50 (# 1737:20 Unique 4.87, 5.96 A) &rst ixpk= 1737, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 492, 493, 494, 496, 497, 498, &end # # 36 VAL HN 36 VAL MGY 2.80 (# 1738:20 Unique 1.85, 3.70 A) &rst ixpk= 1738, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 492, 493, 494, 496, 497, 498, &end # # 26 CYS HB- 36 VAL MGY 2.80 (# 1739:20 Unique 2.02, 3.50 A) &rst ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 352, 353, igr2= 492, 493, 494, 496, 497, 498, &end # # 26 CYS HB+ 36 VAL MGY 2.80 (# 1740:20 Unique 2.02, 3.50 A) &rst ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 352, 353, igr2= 492, 493, 494, 496, 497, 498, &end # # 5 LEU MDX 36 VAL MGY 2.80 (# 1741:20 Unique 2.30, 5.75 A) &rst ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 72, 73, 74, 76, 77, 78, igr2= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:1742 0 AMB 20-1:1742 2.80 (# 1742:20 Double Ambig) &rst ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 488, 215, igr2= 492, 493, 494, 496, 497, 498,1769,1770,1771,1773, 1774,1775, &end # # 0 AMB 20-2:1743 36 VAL MGY 3.50 (# 1743:20 Single Ambig) &rst ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 472, 504, igr2= 492, 493, 494, 496, 497, 498, &end # # 8 VAL HA 8 VAL MGY 2.80 (# 1746:20 Unique 2.44, 3.19 A) &rst ixpk= 1746, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:1747 8 VAL MGY 3.50 (# 1747:20 Single Ambig) &rst ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 569, 570, 535, 536, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:1748 8 VAL MGY 2.80 (# 1748:20 Single Ambig) &rst ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 575, 576, 575, 576, 572, 573, 572, 573, 116, igr2= 118, 119, 120, 122, 123, 124, &end # # 102 LYS HA 108 VAL MGX 2.80 (# 1749:20 Unique 2.07, 3.75 A) &rst ixpk= 1749, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1607,1608,1609,1611,1612,1613, &end # # 108 VAL HN 108 VAL MGX 2.80 (# 1750:20 Unique 1.89, 4.19 A) &rst ixpk= 1750, nxpk= 20, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1607,1608,1609,1611,1612,1613, &end # # 68 LEU HN 68 LEU MDY 4.50 (# 1751:20 Unique 3.60, 4.50 A) &rst ixpk= 1751, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 975, 976, 977, 979, 980, 981, &end # # 72 GLU HG+ 68 LEU MDY 3.50 (# 1752:20 Unique 3.30, 5.45 A) &rst ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1027,1028, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:1753 0 AMB 20-1:1753 2.80 (# 1753:20 Double Ambig) &rst ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 970, 971, 67, 68, igr2= 975, 976, 977, 979, 980, 981, 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:1754 0 AMB 20-1:1754 2.80 (# 1754:20 Double Ambig) &rst ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 973,1061,1062, 363, 364, 365, igr2= 975, 976, 977, 979, 980, 981, 492, 493, 494, 496, 497, 498, &end # # 68 LEU HA 68 LEU MDY 2.80 (# 1755:20 Unique 2.17, 3.84 A) &rst ixpk= 1755, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 975, 976, 977, 979, 980, 981, &end # # 135 VAL HN 135 VAL MGX 3.50 (# 1756:20 Unique 1.98, 3.76 A) &rst ixpk= 1756, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2038,2039,2040,2042,2043,2044, &end # # 135 VAL HA 135 VAL MGX 2.80 (# 1758:20 Unique 2.49, 3.31 A) &rst ixpk= 1758, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 20-2:1759 0 AMB 20-1:1759 2.80 (# 1759:20 Double Ambig) &rst ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=2036,2007,2008, igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 20-2:1760 135 VAL MGX 2.80 (# 1760:20 Single Ambig) &rst ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888, 889, 890, igr2=2038,2039,2040,2042,2043,2044, &end # # 139 LEU MDY 135 VAL MGX 3.50 (# 1761:20 Unique 2.47, 6.35 A) &rst ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2119,2120,2121,2123,2124,2125, igr2=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 20-2:1762 134 THR MG2 2.80 (# 1762:20 Single Ambig) &rst ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044, igr2=2024,2025,2026, &end # # 35 VAL HN 35 VAL MGX 3.50 (# 1763:20 Unique 1.99, 3.77 A) &rst ixpk= 1763, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 476, 477, 478, 480, 481, 482, &end # # 36 VAL HN 35 VAL MGX 4.50 (# 1764:20 Unique 3.09, 4.47 A) &rst ixpk= 1764, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 476, 477, 478, 480, 481, 482, &end # # 4 VAL HA 35 VAL MGX 5.50 (# 1765:20 Unique 3.78, 4.95 A) &rst ixpk= 1765, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 476, 477, 478, 480, 481, 482, &end # # 35 VAL HA 35 VAL MGX 2.80 (# 1766:20 Unique 2.39, 3.14 A) &rst ixpk= 1766, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 476, 477, 478, 480, 481, 482, &end # # 35 VAL HB 35 VAL MGX 2.80 (# 1767:20 Unique 2.45, 2.67 A) &rst ixpk= 1767, nxpk= 20, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 476, 477, 478, 480, 481, 482, &end # # 118 VAL HN 118 VAL MGY 4.50 (# 1768:20 Unique 2.10, 4.37 A) &rst ixpk= 1768, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 16 ASP HN 118 VAL MGY 3.50 (# 1769:20 Unique 2.27, 4.05 A) &rst ixpk= 1769, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1769,1770,1771,1773,1774,1775, &end # # 119 GLY HN 118 VAL MGY 4.50 (# 1770:20 Unique 2.96, 4.29 A) &rst ixpk= 1770, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 118 VAL HA 118 VAL MGY 2.80 (# 1771:20 Unique 2.35, 3.20 A) &rst ixpk= 1771, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1769,1770,1771,1773,1774,1775, &end # # 15 ASP HB- 118 VAL MGY 2.80 (# 1772:20 Unique 2.30, 5.27 A) &rst ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 205, 206, igr2=1769,1770,1771,1773,1774,1775, &end # # 118 VAL HB 118 VAL MGY 2.80 (# 1774:20 Unique 2.41, 2.67 A) &rst ixpk= 1774, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:1775 0 AMB 20-1:1775 4.50 (# 1775:20 Double Ambig) &rst ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 49, 84, igr2= 476, 477, 478, 480, 481, 482, 118, 119, 120, 122, 123, 124, &end # # 5 LEU HN 4 VAL MGX 3.50 (# 1776:20 Unique 2.52, 4.01 A) &rst ixpk= 1776, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 53, 54, 55, 57, 58, 59, &end # # 58 LEU HA 4 VAL MGX 5.50 (# 1777:20 Unique 2.14, 4.96 A) &rst ixpk= 1777, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:1778 108 VAL MGY 3.50 (# 1778:20 Single Ambig) &rst ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1617,1636, igr2=1607,1608,1609,1611,1612,1613, &end # # 36 VAL HN 36 VAL MGX 3.50 (# 1779:20 Unique 1.85, 3.70 A) &rst ixpk= 1779, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:1780 0 AMB 20-1:1780 3.50 (# 1780:20 Double Ambig) &rst ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 359, 348,1533, igr2= 492, 493, 494, 496, 497, 498,1607,1608,1609,1611, 1612,1613, &end # # 108 VAL HA 108 VAL MGY 2.80 (# 1781:20 Unique 2.33, 3.14 A) &rst ixpk= 1781, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1607,1608,1609,1611,1612,1613, &end # # 0 AMB 20-2:1782 36 VAL MGX 4.50 (# 1782:20 Single Ambig) &rst ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 472, 504, igr2= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:1783 36 VAL MGX 2.80 (# 1783:20 Single Ambig) &rst ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 303, 390, 391, igr2= 492, 493, 494, 496, 497, 498, &end # # 26 CYS HB- 36 VAL MGX 4.50 (# 1784:20 Unique 2.02, 3.50 A) &rst ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 352, 353, igr2= 492, 493, 494, 496, 497, 498, &end # # 26 CYS HB+ 36 VAL MGX 3.50 (# 1785:20 Unique 2.02, 3.50 A) &rst ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 352, 353, igr2= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:1786 108 VAL MGY 2.80 (# 1786:20 Single Ambig) &rst ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 825, 826,1515,1516,1605, igr2=1607,1608,1609,1611,1612,1613, &end # # 5 LEU MDX 36 VAL MGX 2.80 (# 1787:20 Unique 2.30, 5.75 A) &rst ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 72, 73, 74, 76, 77, 78, igr2= 492, 493, 494, 496, 497, 498, &end # # 8 VAL HN 8 VAL MGX 3.50 (# 1788:20 Unique 2.98, 4.30 A) &rst ixpk= 1788, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 118, 119, 120, 122, 123, 124, &end # # 42 ALA HN 8 VAL MGX 4.50 (# 1789:20 Unique 4.04, 6.06 A) &rst ixpk= 1789, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:1790 8 VAL MGX 4.50 (# 1790:20 Single Ambig) &rst ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 861, 896, 560, igr2= 118, 119, 120, 122, 123, 124, &end # # 8 VAL HA 8 VAL MGX 2.80 (# 1791:20 Unique 2.44, 3.19 A) &rst ixpk= 1791, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:1792 8 VAL MGX 5.50 (# 1792:20 Single Ambig) &rst ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 569, 570, 535, 536, igr2= 118, 119, 120, 122, 123, 124, &end # # 62 ASP HB- 8 VAL MGX 4.50 (# 1793:20 Unique 2.64, 4.83 A) &rst ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 898, 899, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:1794 8 VAL MGX 2.80 (# 1794:20 Single Ambig) &rst ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 575, 576, 575, 576, 572, 573, 572, 573, 116, igr2= 118, 119, 120, 122, 123, 124, &end # # 6 LEU HG 8 VAL MGX 3.50 (# 1795:20 Unique 2.12, 4.02 A) &rst ixpk= 1795, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 118, 119, 120, 122, 123, 124, &end # # 61 VAL HN 61 VAL MGY 3.50 (# 1797:20 Unique 3.00, 4.30 A) &rst ixpk= 1797, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 884, 885, 886, 888, 889, 890, &end # # 111 LEU HB- 61 VAL MGY 5.50 (# 1799:20 Unique 2.09, 4.59 A) &rst ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1660,1661, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1800 61 VAL MGY 2.80 (# 1800:20 Single Ambig) &rst ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, igr2= 884, 885, 886, 888, 889, 890, &end # # 5 LEU MDY 61 VAL MGY 2.80 (# 1801:20 Unique 2.36, 6.08 A) &rst ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 72, 73, 74, 76, 77, 78, igr2= 884, 885, 886, 888, 889, 890, &end # # 59 LEU MDX 61 VAL MGY 3.50 (# 1802:20 Unique 2.38, 5.96 A) &rst ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 849, 850, 851, 853, 854, 855, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1803 128 ILE QG2 2.80 (# 1803:20 Single Ambig) &rst ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1934,1935,1981,1982,1983, igr2=1930,1931,1932, &end # # 36 VAL HN 35 VAL MGY 3.50 (# 1805:20 Unique 3.09, 4.47 A) &rst ixpk= 1805, nxpk= 20, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 476, 477, 478, 480, 481, 482, &end # # 35 VAL HN 35 VAL MGY 4.50 (# 1806:20 Unique 1.99, 3.77 A) &rst ixpk= 1806, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 476, 477, 478, 480, 481, 482, &end # # 48 VAL HN 48 VAL MGX 4.50 (# 1807:20 Unique 1.94, 3.68 A) &rst ixpk= 1807, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 648, 649, 650, 652, 653, 654, &end # # 49 ALA HN 48 VAL MGX 4.50 (# 1808:20 Unique 3.86, 4.71 A) &rst ixpk= 1808, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:1809 0 AMB 20-1:1809 2.80 (# 1809:20 Double Ambig) &rst ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 644, 23, igr2= 648, 649, 650, 652, 653, 654, 476, 477, 478, 480, 481, 482, &end # # 0 AMB 20-2:1810 0 AMB 20-1:1810 4.50 (# 1810:20 Double Ambig) &rst ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=2332,2317, igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 153 VAL HN 0 AMB 20-1:1811 3.50 (# 1811:20 Single Ambig) &rst ixpk= 1811, nxpk= 20, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 153 VAL HA 0 AMB 20-1:1812 2.80 (# 1812:20 Single Ambig) &rst ixpk= 1812, nxpk= 20, iat=2303, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 0 AMB 20-2:1813 0 AMB 20-1:1813 2.80 (# 1813:20 Double Ambig) &rst ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1=2305, 646,2336,2337,2336,2337,2321,2322, igr2=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, 648, 649, 650, 652, 653, 654, &end # # 117 ILE HA 118 VAL MGX 4.50 (# 1814:20 Unique 3.94, 5.87 A) &rst ixpk= 1814, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 118 VAL HB 118 VAL MGX 2.80 (# 1815:20 Unique 2.41, 2.67 A) &rst ixpk= 1815, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1769,1770,1771,1773,1774,1775, &end # # 152 ALA HN 152 ALA MB 2.80 (# 1816:20 Unique 2.83, 3.46 A) &rst ixpk= 1816, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2295,2296,2297, &end # # 152 ALA HA 152 ALA MB 2.80 (# 1817:20 Unique 2.47, 2.69 A) &rst ixpk= 1817, nxpk= 20, iat=2293, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2295,2296,2297, &end # # 151 LEU HA 152 ALA MB 4.50 (# 1818:20 Unique 4.54, 5.04 A) &rst ixpk= 1818, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2295,2296,2297, &end # # 0 AMB 20-2:1819 152 ALA MB 5.50 (# 1819:20 Single Ambig) &rst ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2324,2325,2324,2325, igr2=2295,2296,2297, &end # # 0 AMB 20-2:1820 152 ALA MB 3.50 (# 1820:20 Single Ambig) &rst ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=2259,2260,2259,2260,2305, igr2=2295,2296,2297, &end # # 64 THR HN 64 THR MG2 4.50 (# 1821:20 Unique 4.54, 4.80 A) &rst ixpk= 1821, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 922, 923, 924, &end # # 85 PHE HD 64 THR MG2 3.50 (# 1822:20 Unique 3.03, 4.50 A) &rst ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1235,1243, igr2= 922, 923, 924, &end # # 0 AMB 20-2:1824 64 THR MG2 4.50 (# 1824:20 Single Ambig) &rst ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1677,1678, 908, igr2= 922, 923, 924, &end # # 64 THR HA 64 THR MG2 2.80 (# 1825:20 Unique 2.25, 2.95 A) &rst ixpk= 1825, nxpk= 20, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 922, 923, 924, &end # # 64 THR HB 64 THR MG2 2.80 (# 1826:20 Unique 2.37, 2.67 A) &rst ixpk= 1826, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 922, 923, 924, &end # # 112 GLY HA- 64 THR MG2 4.50 (# 1827:20 Unique 3.93, 5.01 A) &rst ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1677,1678, igr2= 922, 923, 924, &end # # 0 AMB 20-2:1828 64 THR MG2 3.50 (# 1828:20 Single Ambig) &rst ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 949, 950,1217,1218, igr2= 922, 923, 924, &end # # 118 VAL HN 118 VAL MGX 3.50 (# 1829:20 Unique 2.10, 4.37 A) &rst ixpk= 1829, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1769,1770,1771,1773,1774,1775, &end # # 16 ASP HN 118 VAL MGX 4.50 (# 1830:20 Unique 2.27, 4.05 A) &rst ixpk= 1830, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 118 VAL HA 118 VAL MGX 2.80 (# 1831:20 Unique 2.35, 3.20 A) &rst ixpk= 1831, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1769,1770,1771,1773,1774,1775, &end # # 15 ASP HB- 118 VAL MGX 2.80 (# 1832:20 Unique 2.30, 5.27 A) &rst ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 205, 206, igr2=1769,1770,1771,1773,1774,1775, &end # # 34 TRP HE1 139 LEU MDY 5.50 (# 1833:20 Unique 3.18, 5.06 A) &rst ixpk= 1833, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HN 139 LEU MDY 3.50 (# 1834:20 Unique 2.00, 3.85 A) &rst ixpk= 1834, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HA 139 LEU MDY 2.80 (# 1835:20 Unique 2.34, 3.43 A) &rst ixpk= 1835, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1836 139 LEU MDY 2.80 (# 1836:20 Single Ambig) &rst ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=2117,2090,2091,2090,2091, igr2=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HB+ 139 LEU MDY 4.50 (# 1837:20 Unique 2.32, 3.51 A) &rst ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2114,2115, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1838 139 LEU MDY 3.50 (# 1838:20 Single Ambig) &rst ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2114,2115, 70, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:1839 139 LEU MDY 3.50 (# 1839:20 Single Ambig) &rst ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, 410, 411, igr2=2119,2120,2121,2123,2124,2125, &end # # 5 LEU MDX 139 LEU MDY 3.50 (# 1841:20 Unique 2.17, 4.90 A) &rst ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 72, 73, 74, 76, 77, 78, igr2=2119,2120,2121,2123,2124,2125, &end # # 5 LEU MDY 139 LEU MDY 4.50 (# 1842:20 Unique 2.17, 4.90 A) &rst ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 72, 73, 74, 76, 77, 78, igr2=2119,2120,2121,2123,2124,2125, &end # # 59 LEU MDX 139 LEU MDY 2.80 (# 1843:20 Unique 2.56, 5.55 A) &rst ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 849, 850, 851, 853, 854, 855, igr2=2119,2120,2121,2123,2124,2125, &end # # 150 GLN HB+ 149 ALA MB 4.50 (# 1844:20 Unique 4.90, 6.01 A) &rst ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2259,2260, igr2=2249,2250,2251, &end # # 149 ALA HN 149 ALA MB 2.80 (# 1845:20 Unique 2.26, 2.89 A) &rst ixpk= 1845, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2249,2250,2251, &end # # 150 GLN HN 149 ALA MB 2.80 (# 1846:20 Unique 2.49, 3.55 A) &rst ixpk= 1846, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2249,2250,2251, &end # # 148 PHE HA 149 ALA MB 4.50 (# 1847:20 Unique 4.04, 4.67 A) &rst ixpk= 1847, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=2249,2250,2251, &end # # 149 ALA HA 149 ALA MB 2.80 (# 1848:20 Unique 2.48, 2.70 A) &rst ixpk= 1848, nxpk= 20, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=2249,2250,2251, &end # # 74 ARG HD- 149 ALA MB 4.50 (# 1849:20 Unique 2.38, 3.75 A) &rst ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1064,1065, igr2=2249,2250,2251, &end # # 74 ARG HD+ 149 ALA MB 4.50 (# 1850:20 Unique 2.38, 3.75 A) &rst ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1064,1065, igr2=2249,2250,2251, &end # # 74 ARG HB+ 149 ALA MB 4.50 (# 1851:20 Unique 4.93, 6.47 A) &rst ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1058,1059, igr2=2249,2250,2251, &end # # 62 ASP HN 61 VAL MGX 3.50 (# 1852:20 Unique 2.58, 4.23 A) &rst ixpk= 1852, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 884, 885, 886, 888, 889, 890, &end # # 19 GLY HA- 61 VAL MGX 4.50 (# 1854:20 Unique 2.84, 5.24 A) &rst ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 244, 245, igr2= 884, 885, 886, 888, 889, 890, &end # # 61 VAL HB 61 VAL MGX 2.80 (# 1855:20 Unique 2.35, 2.66 A) &rst ixpk= 1855, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1856 61 VAL MGX 4.50 (# 1856:20 Single Ambig) &rst ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1692,1693, 286, 287, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1857 61 VAL MGX 4.50 (# 1857:20 Single Ambig) &rst ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1=1660,1661, 291, 292, 293, 295, 296, 297, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1858 61 VAL MGX 2.80 (# 1858:20 Single Ambig) &rst ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, igr2= 884, 885, 886, 888, 889, 890, &end # # 5 LEU MDY 61 VAL MGX 4.50 (# 1859:20 Unique 2.36, 6.08 A) &rst ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 72, 73, 74, 76, 77, 78, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:1860 73 ILE QG2 5.50 (# 1860:20 Single Ambig) &rst ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2227,2022, igr2=1041,1042,1043, &end # # 71 GLY HA- 131 ALA MB 3.50 (# 1861:20 Unique 2.29, 3.24 A) &rst ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1015,1016, igr2=1981,1982,1983, &end # # 0 AMB 20-2:1862 131 ALA MB 2.80 (# 1862:20 Single Ambig) &rst ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044, igr2=1981,1982,1983, &end # # 132 VAL HN 131 ALA MB 3.50 (# 1863:20 Unique 2.65, 3.48 A) &rst ixpk= 1863, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1981,1982,1983, &end # # 131 ALA HN 131 ALA MB 2.80 (# 1864:20 Unique 2.34, 2.86 A) &rst ixpk= 1864, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1981,1982,1983, &end # # 131 ALA HA 131 ALA MB 2.80 (# 1865:20 Unique 2.36, 2.65 A) &rst ixpk= 1865, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1981,1982,1983, &end # # 128 ILE HA 131 ALA MB 2.80 (# 1867:20 Unique 2.28, 3.11 A) &rst ixpk= 1867, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1981,1982,1983, &end # # 0 AMB 20-2:1868 131 ALA MB 3.50 (# 1868:20 Single Ambig) &rst ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1993,1994,1995,1997,1998,1999,1934,1935, igr2=1981,1982,1983, &end # # 0 AMB 20-2:1869 131 ALA MB 2.80 (# 1869:20 Single Ambig) &rst ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1045,1046,1695,1696,1697, igr2=1981,1982,1983, &end # # 42 ALA HN 42 ALA MB 3.50 (# 1870:20 Unique 2.65, 3.38 A) &rst ixpk= 1870, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 562, 563, 564, &end # # 45 ASN HD2+ 42 ALA MB 3.50 (# 1871:20 Unique 2.29, 4.44 A) &rst ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 606, 607, igr2= 562, 563, 564, &end # # 45 ASN HD2- 42 ALA MB 3.50 (# 1872:20 Unique 2.29, 4.44 A) &rst ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 606, 607, igr2= 562, 563, 564, &end # # 42 ALA HA 42 ALA MB 2.80 (# 1873:20 Unique 2.41, 2.65 A) &rst ixpk= 1873, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 562, 563, 564, &end # # 0 AMB 20-2:1874 42 ALA MB 3.50 (# 1874:20 Single Ambig) &rst ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 551, 552, 569, 570, igr2= 562, 563, 564, &end # # 0 AMB 20-2:1875 42 ALA MB 3.50 (# 1875:20 Single Ambig) &rst ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 601, 602, 601, 602, igr2= 562, 563, 564, &end # # 110 PHE HN 109 ILE QG2 3.50 (# 1876:20 Unique 2.39, 3.29 A) &rst ixpk= 1876, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1623,1624,1625, &end # # 142 TRP HZ2 109 ILE QG2 3.50 (# 1877:20 Unique 2.12, 4.70 A) &rst ixpk= 1877, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1623,1624,1625, &end # # 0 AMB 20-2:1878 109 ILE QG2 3.50 (# 1878:20 Single Ambig) &rst ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2199,1080,1638, igr2=1623,1624,1625, &end # # 109 ILE HA 109 ILE QG2 2.80 (# 1879:20 Unique 2.44, 3.14 A) &rst ixpk= 1879, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1623,1624,1625, &end # # 0 AMB 20-2:1880 109 ILE QG2 2.80 (# 1880:20 Single Ambig) &rst ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1621,1660,1661, igr2=1623,1624,1625, &end # # 109 ILE HG1+ 109 ILE QG2 2.80 (# 1881:20 Unique 2.18, 3.23 A) &rst ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1627,1628, igr2=1623,1624,1625, &end # # 109 ILE HG1- 109 ILE QG2 2.80 (# 1882:20 Unique 2.18, 3.23 A) &rst ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1627,1628, igr2=1623,1624,1625, &end # # 0 AMB 20-2:1883 109 ILE QG2 4.50 (# 1883:20 Single Ambig) &rst ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 844, 845,1665,1666,1667,1669,1670,1671, igr2=1623,1624,1625, &end # # 59 LEU MDY 109 ILE QG2 2.80 (# 1884:20 Unique 2.42, 5.41 A) &rst ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 849, 850, 851, 853, 854, 855, igr2=1623,1624,1625, &end # # 51 ARG HN 50 ILE QG2 5.50 (# 1885:20 Unique 3.55, 4.35 A) &rst ixpk= 1885, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 674, 675, 676, &end # # 50 ILE HN 50 ILE QG2 4.50 (# 1886:20 Unique 4.40, 4.53 A) &rst ixpk= 1886, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 674, 675, 676, &end # # 55 PRO HD- 50 ILE QG2 4.50 (# 1887:20 Unique 2.50, 4.48 A) &rst ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 770, 771, igr2= 674, 675, 676, &end # # 0 AMB 20-2:1888 50 ILE QG2 2.80 (# 1888:20 Single Ambig) &rst ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 670, 770, 771, igr2= 674, 675, 676, &end # # 0 AMB 20-2:1889 50 ILE QG2 2.80 (# 1889:20 Single Ambig) &rst ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 773, 774, 672, 51, igr2= 674, 675, 676, &end # # 0 AMB 20-2:1890 50 ILE QG2 3.50 (# 1890:20 Single Ambig) &rst ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 773, 774,1496,1497, igr2= 674, 675, 676, &end # # 54 ARG HN 50 ILE QG2 5.50 (# 1891:20 Unique 4.41, 6.27 A) &rst ixpk= 1891, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 674, 675, 676, &end # # 104 ASP HB+ 101 LEU MDY 4.50 (# 1892:20 Unique 3.78, 7.36 A) &rst ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1552,1553, igr2=1501,1502,1503,1505,1506,1507, &end # # 28 ALA HN 28 ALA MB 2.80 (# 1893:20 Unique 2.48, 2.88 A) &rst ixpk= 1893, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 373, 374, 375, &end # # 25 LYS HA 28 ALA MB 3.50 (# 1894:20 Unique 2.71, 3.70 A) &rst ixpk= 1894, nxpk= 20, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 373, 374, 375, &end # # 82 ALA HN 82 ALA MB 2.80 (# 1895:20 Unique 2.36, 2.83 A) &rst ixpk= 1895, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1189,1190,1191, &end # # 0 AMB 20-2:1896 82 ALA MB 4.50 (# 1896:20 Single Ambig) &rst ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1144,1367, igr2=1189,1190,1191, &end # # 63 ALA HN 63 ALA MB 3.50 (# 1897:20 Unique 2.41, 2.93 A) &rst ixpk= 1897, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 910, 911, 912, &end # # 64 THR HN 63 ALA MB 3.50 (# 1898:20 Unique 3.00, 3.78 A) &rst ixpk= 1898, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 910, 911, 912, &end # # 0 AMB 20-2:1899 0 AMB 20-1:1899 2.80 (# 1899:20 Double Ambig) &rst ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 379, 213, igr2= 383, 384, 385, 910, 911, 912, &end # # 63 ALA HA 63 ALA MB 2.80 (# 1900:20 Unique 2.42, 2.67 A) &rst ixpk= 1900, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 910, 911, 912, &end # # 62 ASP HA 63 ALA MB 4.50 (# 1901:20 Unique 4.69, 5.25 A) &rst ixpk= 1901, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 910, 911, 912, &end # # 0 AMB 20-2:1902 0 AMB 20-1:1902 3.50 (# 1902:20 Double Ambig) &rst ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 390, 391,1926, igr2= 383, 384, 385, 910, 911, 912, &end # # 30 PRO HD- 29 ALA MB 3.50 (# 1903:20 Unique 3.78, 4.74 A) &rst ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 390, 391, igr2= 383, 384, 385, &end # # 27 ALA HN 27 ALA MB 2.80 (# 1904:20 Unique 2.49, 2.90 A) &rst ixpk= 1904, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 363, 364, 365, &end # # 49 ALA HN 49 ALA MB 2.80 (# 1905:20 Unique 2.47, 2.89 A) &rst ixpk= 1905, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 662, 663, 664, &end # # 46 ASP HA 49 ALA MB 4.50 (# 1906:20 Unique 2.96, 3.69 A) &rst ixpk= 1906, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 662, 663, 664, &end # # 0 AMB 20-2:1907 0 AMB 20-1:1907 2.80 (# 1907:20 Double Ambig) &rst ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 361, 660, igr2= 363, 364, 365, 662, 663, 664, &end # # 0 AMB 20-2:1908 49 ALA MB 4.50 (# 1908:20 Single Ambig) &rst ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 670, 625, 644, igr2= 662, 663, 664, &end # # 0 AMB 20-2:1909 49 ALA MB 2.80 (# 1909:20 Single Ambig) &rst ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 515, 516, 517, 508, 509, 510, igr2= 662, 663, 664, &end # # 19 GLY HN 18 ALA MB 4.50 (# 1910:20 Unique 2.40, 3.30 A) &rst ixpk= 1910, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 236, 237, 238, &end # # 18 ALA HN 18 ALA MB 2.80 (# 1911:20 Unique 2.41, 2.84 A) &rst ixpk= 1911, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 236, 237, 238, &end # # 18 ALA HA 18 ALA MB 2.80 (# 1912:20 Unique 2.42, 2.65 A) &rst ixpk= 1912, nxpk= 20, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 236, 237, 238, &end # # 0 AMB 20-2:1913 18 ALA MB 4.50 (# 1913:20 Single Ambig) &rst ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1873,1874,1875,1725,1726, igr2= 236, 237, 238, &end # # 0 AMB 20-2:1914 18 ALA MB 2.80 (# 1914:20 Single Ambig) &rst ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1993,1994,1995,1997,1998,1999,1930,1931,1932, igr2= 236, 237, 238, &end # # 77 ASP HN 76 ILE QG2 3.50 (# 1916:20 Unique 1.95, 3.23 A) &rst ixpk= 1916, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1103,1104,1105, &end # # 76 ILE HA 76 ILE QG2 3.50 (# 1917:20 Unique 2.34, 2.87 A) &rst ixpk= 1917, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1103,1104,1105, &end # # 0 AMB 20-2:1918 76 ILE QG2 4.50 (# 1918:20 Single Ambig) &rst ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1138,2274, igr2=1103,1104,1105, &end # # 81 ILE HA 76 ILE QG2 4.50 (# 1919:20 Unique 2.26, 3.15 A) &rst ixpk= 1919, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1103,1104,1105, &end # # 80 ASP HB+ 76 ILE QG2 3.50 (# 1920:20 Unique 2.17, 4.07 A) &rst ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1158,1159, igr2=1103,1104,1105, &end # # 0 AMB 20-2:1921 76 ILE QG2 2.80 (# 1921:20 Single Ambig) &rst ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1101,1107,1108,2279, igr2=1103,1104,1105, &end # # 74 ARG HN 73 ILE QG2 4.50 (# 1922:20 Unique 2.67, 3.54 A) &rst ixpk= 1922, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1041,1042,1043, &end # # 148 PHE HD 73 ILE QG2 4.50 (# 1923:20 Unique 2.55, 4.39 A) &rst ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2233,2241, igr2=1041,1042,1043, &end # # 73 ILE HA 73 ILE QG2 3.50 (# 1925:20 Unique 2.33, 3.06 A) &rst ixpk= 1925, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1041,1042,1043, &end # # 73 ILE HG1+ 73 ILE QG2 3.50 (# 1926:20 Unique 2.24, 3.22 A) &rst ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1045,1046, igr2=1041,1042,1043, &end # # 0 AMB 20-2:1927 73 ILE QG2 2.80 (# 1927:20 Single Ambig) &rst ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1039,2024,2025,2026, igr2=1041,1042,1043, &end # # 111 LEU HG 73 ILE QG2 3.50 (# 1928:20 Unique 2.35, 3.00 A) &rst ixpk= 1928, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1041,1042,1043, &end # # 0 AMB 20-2:1929 73 ILE QG2 2.80 (# 1929:20 Single Ambig) &rst ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050, igr2=1041,1042,1043, &end # # 111 LEU MDY 73 ILE QG2 2.80 (# 1930:20 Unique 2.08, 3.59 A) &rst ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1665,1666,1667,1669,1670,1671, igr2=1041,1042,1043, &end # # 76 ILE HN 75 ILE QG2 3.50 (# 1931:20 Unique 2.90, 3.52 A) &rst ixpk= 1931, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1084,1085,1086, &end # # 0 AMB 20-2:1932 75 ILE QG2 2.80 (# 1932:20 Single Ambig) &rst ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1080,2257, igr2=1084,1085,1086, &end # # 150 GLN HG+ 75 ILE QG2 4.50 (# 1933:20 Unique 2.23, 3.56 A) &rst ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2262,2263, igr2=1084,1085,1086, &end # # 75 ILE HB 75 ILE QG2 2.80 (# 1934:20 Unique 2.38, 2.63 A) &rst ixpk= 1934, nxpk= 20, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1084,1085,1086, &end # # 0 AMB 20-2:1935 75 ILE QG2 2.80 (# 1935:20 Single Ambig) &rst ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1088,1089,1627,1628, igr2=1084,1085,1086, &end # # 99 ASP HN 98 ILE QG2 4.50 (# 1937:20 Unique 2.94, 4.01 A) &rst ixpk= 1937, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1450,1451,1452, &end # # 0 AMB 20-2:1938 98 ILE QG2 4.50 (# 1938:20 Single Ambig) &rst ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1444,1533, igr2=1450,1451,1452, &end # # 99 ASP HA 98 ILE QG2 4.50 (# 1939:20 Unique 2.87, 4.16 A) &rst ixpk= 1939, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1450,1451,1452, &end # # 0 AMB 20-2:1940 98 ILE QG2 4.50 (# 1940:20 Single Ambig) &rst ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1138,1392, igr2=1450,1451,1452, &end # # 98 ILE HA 98 ILE QG2 2.80 (# 1941:20 Unique 2.47, 3.34 A) &rst ixpk= 1941, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1450,1451,1452, &end # # 0 AMB 20-2:1942 98 ILE QG2 4.50 (# 1942:20 Single Ambig) &rst ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1524,1525,1524,1525, igr2=1450,1451,1452, &end # # 0 AMB 20-2:1943 98 ILE QG2 2.80 (# 1943:20 Single Ambig) &rst ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1132,1133,1515,1516,1448, igr2=1450,1451,1452, &end # # 0 AMB 20-2:1944 98 ILE QG2 2.80 (# 1944:20 Single Ambig) &rst ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1=1457,1458,1459,1501,1502,1503,1505,1506,1507, igr2=1450,1451,1452, &end # # 81 ILE HA 81 ILE QG2 3.50 (# 1945:20 Unique 2.85, 3.38 A) &rst ixpk= 1945, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1172,1173,1174, &end # # 0 AMB 20-2:1946 81 ILE QG2 4.50 (# 1946:20 Single Ambig) &rst ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1185,1227, igr2=1172,1173,1174, &end # # 0 AMB 20-2:1947 0 AMB 20-1:1947 4.50 (# 1947:20 Double Ambig) &rst ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1187, 770, 771,1513,1373, igr2=1172,1173,1174,1566,1567,1568, &end # # 0 AMB 20-2:1948 0 AMB 20-1:1948 2.80 (# 1948:20 Double Ambig) &rst ixpk= 1948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1170, 776, 777, igr2=1172,1173,1174,1566,1567,1568, &end # # 58 LEU HN 105 ILE QG2 4.50 (# 1949:20 Unique 2.82, 3.49 A) &rst ixpk= 1949, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1566,1567,1568, &end # # 0 AMB 20-2:1950 0 AMB 20-1:1950 4.50 (# 1950:20 Double Ambig) &rst ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1390,1579, igr2=1172,1173,1174,1566,1567,1568, &end # # 107 GLU HN 105 ILE QG2 2.80 (# 1951:20 Unique 1.99, 3.06 A) &rst ixpk= 1951, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1566,1567,1568, &end # # 0 AMB 20-2:1952 105 ILE QG2 4.50 (# 1952:20 Single Ambig) &rst ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 785,1494, igr2=1566,1567,1568, &end # # 105 ILE HA 105 ILE QG2 2.80 (# 1953:20 Unique 2.56, 3.21 A) &rst ixpk= 1953, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1566,1567,1568, &end # # 0 AMB 20-2:1954 0 AMB 20-1:1954 2.80 (# 1954:20 Double Ambig) &rst ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1=1564,1375,1376, 804, 805, 804, 805, igr2=1566,1567,1568,1172,1173,1174, &end # # 118 VAL HN 117 ILE QD1 4.50 (# 1955:20 Unique 2.79, 4.27 A) &rst ixpk= 1955, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1757,1758,1759, &end # # 61 VAL HN 60 ILE QG2 3.50 (# 1956:20 Unique 2.22, 3.20 A) &rst ixpk= 1956, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 865, 866, 867, &end # # 122 TYR HD 117 ILE QD1 2.80 (# 1957:20 Unique 2.35, 4.44 A) &rst ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1835,1844, igr2=1757,1758,1759, &end # # 60 ILE HA 60 ILE QG2 2.80 (# 1958:20 Unique 2.32, 3.03 A) &rst ixpk= 1958, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 865, 866, 867, &end # # 117 ILE HA 117 ILE QD1 3.50 (# 1959:20 Unique 2.34, 4.34 A) &rst ixpk= 1959, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1757,1758,1759, &end # # 122 TYR HB+ 117 ILE QD1 4.50 (# 1960:20 Unique 2.21, 3.11 A) &rst ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1831,1832, igr2=1757,1758,1759, &end # # 0 AMB 20-2:1961 117 ILE QD1 5.50 (# 1961:20 Single Ambig) &rst ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1831,1832, 205, 206, igr2=1757,1758,1759, &end # # 24 GLU HN 23 ALA MB 2.80 (# 1968:20 Unique 2.58, 3.48 A) &rst ixpk= 1968, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 305, 306, 307, &end # # 23 ALA HN 23 ALA MB 2.80 (# 1969:20 Unique 2.36, 2.95 A) &rst ixpk= 1969, nxpk= 20, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 305, 306, 307, &end # # 38 ASP HA 23 ALA MB 3.50 (# 1970:20 Unique 3.85, 4.52 A) &rst ixpk= 1970, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 305, 306, 307, &end # # 20 PRO HA 23 ALA MB 2.80 (# 1971:20 Unique 2.34, 3.22 A) &rst ixpk= 1971, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 305, 306, 307, &end # # 23 ALA HA 23 ALA MB 2.80 (# 1972:20 Unique 2.37, 2.68 A) &rst ixpk= 1972, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 305, 306, 307, &end # # 36 VAL MGX 23 ALA MB 3.50 (# 1973:20 Unique 2.96, 6.16 A) &rst ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 492, 493, 494, 496, 497, 498, igr2= 305, 306, 307, &end # # 47 ILE HN 47 ILE QG2 4.50 (# 1974:20 Unique 4.32, 4.53 A) &rst ixpk= 1974, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 629, 630, 631, &end # # 0 AMB 20-2:1975 47 ILE QG2 2.80 (# 1975:20 Single Ambig) &rst ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 625, 644, igr2= 629, 630, 631, &end # # 0 AMB 20-2:1976 47 ILE QG2 4.50 (# 1976:20 Single Ambig) &rst ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 697, 698, 697, 698, igr2= 629, 630, 631, &end # # 0 AMB 20-2:1978 60 ILE QG2 4.50 (# 1978:20 Single Ambig) &rst ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 859, 840, igr2= 865, 866, 867, &end # # 0 AMB 20-2:1979 0 AMB 20-1:1979 3.50 (# 1979:20 Double Ambig) &rst ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 86, 87,1045,1046, 116, igr2= 865, 866, 867,1688,1689,1690, &end # # 114 GLN HN 113 ILE QG2 4.50 (# 1980:20 Unique 3.03, 3.68 A) &rst ixpk= 1980, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1688,1689,1690, &end # # 0 AMB 20-2:1981 113 ILE QG2 2.80 (# 1981:20 Single Ambig) &rst ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1684,1728, igr2=1688,1689,1690, &end # # 71 GLY HA+ 113 ILE QG2 5.50 (# 1982:20 Unique 2.40, 3.80 A) &rst ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1015,1016, igr2=1688,1689,1690, &end # # 0 AMB 20-2:1983 0 AMB 20-1:1983 4.50 (# 1983:20 Double Ambig) &rst ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1926,1640,1641, igr2=1688,1689,1690, 865, 866, 867, &end # # 71 GLY HA- 113 ILE QG2 4.50 (# 1984:20 Unique 2.40, 3.80 A) &rst ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1015,1016, igr2=1688,1689,1690, &end # # 0 AMB 20-2:1985 113 ILE QG2 5.50 (# 1985:20 Single Ambig) &rst ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64, igr1=1705,1706,1705,1706,1928,1708,1709, igr2=1688,1689,1690, &end # # 0 AMB 20-2:1986 0 AMB 20-1:1986 2.80 (# 1986:20 Double Ambig) &rst ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1981,1982,1983,1934,1935,1748, igr2=1688,1689,1690,1757,1758,1759, &end # # 0 AMB 20-2:1987 0 AMB 20-1:1987 2.80 (# 1987:20 Double Ambig) &rst ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 89,1692,1693, igr2= 865, 866, 867,1688,1689,1690, &end # # 0 AMB 20-2:1988 113 ILE QG2 2.80 (# 1988:20 Single Ambig) &rst ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1934,1935,1993,1994,1995,1997,1998,1999, igr2=1688,1689,1690, &end # # 0 AMB 20-2:1989 13 MET ME 5.50 (# 1989:20 Single Ambig) &rst ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1786, 160, igr2= 188, 189, 190, &end # # 119 GLY HA+ 13 MET ME 3.50 (# 1990:20 Unique 3.45, 5.49 A) &rst ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1781,1782, igr2= 188, 189, 190, &end # # 119 GLY HA- 13 MET ME 5.50 (# 1991:20 Unique 3.45, 5.49 A) &rst ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1781,1782, igr2= 188, 189, 190, &end # # 120 PHE HB+ 13 MET ME 5.50 (# 1992:20 Unique 4.89, 7.30 A) &rst ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1790,1791, igr2= 188, 189, 190, &end # # 13 MET HB+ 13 MET ME 3.50 (# 1993:20 Unique 2.45, 4.15 A) &rst ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 181, 182, igr2= 188, 189, 190, &end # # 118 VAL MGY 13 MET ME 3.50 (# 1995:20 Unique 2.21, 4.61 A) &rst ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1769,1770,1771,1773,1774,1775, igr2= 188, 189, 190, &end # # 0 AMB 20-2:1997 37 ILE QG2 3.50 (# 1997:20 Single Ambig) &rst ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 521, 101, igr2= 508, 509, 510, &end # # 6 LEU HA 37 ILE QG2 4.50 (# 1998:20 Unique 3.36, 4.19 A) &rst ixpk= 1998, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 508, 509, 510, &end # # 37 ILE HA 37 ILE QG2 2.80 (# 1999:20 Unique 2.60, 3.20 A) &rst ixpk= 1999, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 508, 509, 510, &end # # 46 ASP HB+ 37 ILE QG2 3.50 (# 2000:20 Unique 2.70, 4.03 A) &rst ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 615, 616, igr2= 508, 509, 510, &end # # 46 ASP HB- 37 ILE QG2 4.50 (# 2001:20 Unique 2.70, 4.03 A) &rst ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 615, 616, igr2= 508, 509, 510, &end # # 37 ILE HB 37 ILE QG2 2.80 (# 2002:20 Unique 2.42, 2.66 A) &rst ixpk= 2002, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 508, 509, 510, &end # # 37 ILE HG1+ 37 ILE QG2 2.80 (# 2003:20 Unique 2.67, 3.64 A) &rst ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 512, 513, igr2= 508, 509, 510, &end # # 37 ILE HG1- 37 ILE QG2 2.80 (# 2004:20 Unique 2.67, 3.64 A) &rst ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 512, 513, igr2= 508, 509, 510, &end # # 66 MET HN 66 MET ME 5.50 (# 2005:20 Unique 2.55, 3.87 A) &rst ixpk= 2005, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 953, 954, 955, &end # # 114 GLN HN 66 MET ME 3.50 (# 2006:20 Unique 2.11, 2.80 A) &rst ixpk= 2006, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 953, 954, 955, &end # # 73 ILE HA 66 MET ME 4.50 (# 2007:20 Unique 3.81, 5.02 A) &rst ixpk= 2007, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2008 66 MET ME 3.50 (# 2008:20 Single Ambig) &rst ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1684, 932, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2009 0 AMB 20-1:2009 5.50 (# 2009:20 Double Ambig) &rst ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1677,1678, 250, 251, igr2= 953, 954, 955,1873,1874,1875, &end # # 66 MET HG+ 66 MET ME 2.80 (# 2010:20 Unique 2.39, 3.62 A) &rst ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 949, 950, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2011 66 MET ME 2.80 (# 2011:20 Single Ambig) &rst ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2012 0 AMB 20-1:2012 2.80 (# 2012:20 Double Ambig) &rst ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1703, 203, igr2= 953, 954, 955,1873,1874,1875, &end # # 0 AMB 20-2:2013 0 AMB 20-1:2013 4.50 (# 2013:20 Double Ambig) &rst ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1864, 944, igr2=1873,1874,1875, 953, 954, 955, &end # # 17 GLY HN 124 MET ME 4.50 (# 2014:20 Unique 2.92, 3.95 A) &rst ixpk= 2014, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1873,1874,1875, &end # # 0 AMB 20-2:2015 124 MET ME 5.50 (# 2015:20 Single Ambig) &rst ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 263, 282, igr2=1873,1874,1875, &end # # 18 ALA HN 124 MET ME 3.50 (# 2016:20 Unique 3.25, 4.11 A) &rst ixpk= 2016, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1873,1874,1875, &end # # 0 AMB 20-2:2017 0 AMB 20-1:2017 2.80 (# 2017:20 Double Ambig) &rst ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 234, 920, 227, 228, 227, 228, igr2=1873,1874,1875, 953, 954, 955, &end # # 124 MET HG- 124 MET ME 3.50 (# 2018:20 Unique 2.57, 3.74 A) &rst ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1869,1870, igr2=1873,1874,1875, &end # # 0 AMB 20-2:2019 124 MET ME 3.50 (# 2019:20 Single Ambig) &rst ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1869,1870, 205, 206, igr2=1873,1874,1875, &end # # 128 ILE QG2 124 MET ME 3.50 (# 2020:20 Unique 2.82, 4.42 A) &rst ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1930,1931,1932, igr2=1873,1874,1875, &end # # 128 ILE HA 128 ILE QD1 2.80 (# 2021:20 Unique 2.82, 3.69 A) &rst ixpk= 2021, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2022 128 ILE QD1 3.50 (# 2022:20 Single Ambig) &rst ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1883,1728, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2023 105 ILE QD1 5.50 (# 2023:20 Single Ambig) &rst ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1560,1586, igr2=1573,1574,1575, &end # # 105 ILE HA 105 ILE QD1 4.50 (# 2024:20 Unique 4.27, 4.64 A) &rst ixpk= 2024, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1573,1574,1575, &end # # 55 PRO HD+ 105 ILE QD1 4.50 (# 2025:20 Unique 2.47, 4.26 A) &rst ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 770, 771, igr2=1573,1574,1575, &end # # 71 GLY HN 128 ILE QD1 3.50 (# 2026:20 Unique 2.36, 3.07 A) &rst ixpk= 2026, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1937,1938,1939, &end # # 128 ILE HN 128 ILE QD1 4.50 (# 2027:20 Unique 2.09, 2.82 A) &rst ixpk= 2027, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1937,1938,1939, &end # # 71 GLY HA- 128 ILE QD1 5.50 (# 2028:20 Unique 3.09, 4.25 A) &rst ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1015,1016, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2029 128 ILE QD1 3.50 (# 2029:20 Single Ambig) &rst ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1914,1915,1928, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2030 128 ILE QD1 4.50 (# 2030:20 Single Ambig) &rst ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1914,1915,1006,1007, igr2=1937,1938,1939, &end # # 71 GLY HA+ 128 ILE QD1 4.50 (# 2031:20 Unique 3.09, 4.25 A) &rst ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1015,1016, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2032 128 ILE QD1 5.50 (# 2032:20 Single Ambig) &rst ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1869,1870,1969,1970,1969,1970, igr2=1937,1938,1939, &end # # 128 ILE HG1- 128 ILE QD1 2.80 (# 2033:20 Unique 2.32, 2.63 A) &rst ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1934,1935, igr2=1937,1938,1939, &end # # 0 AMB 20-2:2034 105 ILE QD1 4.50 (# 2034:20 Single Ambig) &rst ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 770, 771,1513, igr2=1573,1574,1575, &end # # 47 ILE HB 47 ILE QD1 2.80 (# 2036:20 Unique 2.39, 3.08 A) &rst ixpk= 2036, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 636, 637, 638, &end # # 142 TRP HE1 109 ILE QD1 4.50 (# 2037:20 Unique 2.16, 3.63 A) &rst ixpk= 2037, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1630,1631,1632, &end # # 109 ILE HN 109 ILE QD1 4.50 (# 2038:20 Unique 2.24, 3.59 A) &rst ixpk= 2038, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2039 109 ILE QD1 4.50 (# 2039:20 Single Ambig) &rst ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1603,2199, igr2=1630,1631,1632, &end # # 109 ILE HA 109 ILE QD1 4.50 (# 2040:20 Unique 3.88, 4.66 A) &rst ixpk= 2040, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1630,1631,1632, &end # # 57 ARG HD+ 109 ILE QD1 5.50 (# 2041:20 Unique 2.22, 4.57 A) &rst ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 807, 808, igr2=1630,1631,1632, &end # # 57 ARG HD- 109 ILE QD1 4.50 (# 2042:20 Unique 2.22, 4.57 A) &rst ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 807, 808, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2043 109 ILE QD1 4.50 (# 2043:20 Single Ambig) &rst ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1593,1594,1590,1591, igr2=1630,1631,1632, &end # # 109 ILE HB 109 ILE QD1 2.80 (# 2044:20 Unique 2.15, 2.84 A) &rst ixpk= 2044, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2045 109 ILE QD1 2.80 (# 2045:20 Single Ambig) &rst ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1627,1628, 804, 805, 804, 805, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2046 105 ILE QD1 3.50 (# 2046:20 Single Ambig) &rst ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1496,1497, 773, 774, igr2=1573,1574,1575, &end # # 59 LEU MDY 109 ILE QD1 4.50 (# 2047:20 Unique 2.74, 5.67 A) &rst ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 849, 850, 851, 853, 854, 855, igr2=1630,1631,1632, &end # # 73 ILE HN 73 ILE QD1 4.50 (# 2048:20 Unique 2.14, 3.25 A) &rst ixpk= 2048, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1048,1049,1050, &end # # 134 THR HB 73 ILE QD1 4.50 (# 2051:20 Unique 2.88, 3.77 A) &rst ixpk= 2051, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1048,1049,1050, &end # # 131 ALA HA 73 ILE QD1 3.50 (# 2052:20 Unique 2.07, 3.20 A) &rst ixpk= 2052, nxpk= 20, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1048,1049,1050, &end # # 73 ILE HG1+ 73 ILE QD1 2.80 (# 2053:20 Unique 2.40, 2.65 A) &rst ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1045,1046, igr2=1048,1049,1050, &end # # 131 ALA MB 73 ILE QD1 2.80 (# 2054:20 Unique 2.40, 4.16 A) &rst ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1981,1982,1983, igr2=1048,1049,1050, &end # # 0 AMB 20-2:2055 73 ILE QD1 2.80 (# 2055:20 Single Ambig) &rst ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=2024,2025,2026,1039, igr2=1048,1049,1050, &end # # 73 ILE HG1- 73 ILE QD1 2.80 (# 2056:20 Unique 2.40, 2.65 A) &rst ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1045,1046, igr2=1048,1049,1050, &end # # 73 ILE QG2 73 ILE QD1 2.80 (# 2057:20 Unique 3.19, 4.45 A) &rst ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1=1041,1042,1043, igr2=1048,1049,1050, &end # # 142 TRP HZ2 109 ILE QD1 5.50 (# 2058:20 Unique 2.14, 3.18 A) &rst ixpk= 2058, nxpk= 20, iat=2164, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2059 109 ILE QD1 4.50 (# 2059:20 Single Ambig) &rst ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1590,1591, 801, 802, 825, 826, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2061 50 ILE QD1 4.50 (# 2061:20 Single Ambig) &rst ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 668, 611, igr2= 681, 682, 683, &end # # 47 ILE HA 50 ILE QD1 2.80 (# 2062:20 Unique 2.16, 3.33 A) &rst ixpk= 2062, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 681, 682, 683, &end # # 46 ASP HB+ 50 ILE QD1 5.50 (# 2063:20 Unique 2.43, 4.11 A) &rst ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 615, 616, igr2= 681, 682, 683, &end # # 50 ILE HG1- 50 ILE QD1 2.80 (# 2064:20 Unique 2.32, 2.65 A) &rst ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 678, 679, igr2= 681, 682, 683, &end # # 0 AMB 20-2:2065 60 ILE QD1 3.50 (# 2065:20 Single Ambig) &rst ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 859, 840, igr2= 872, 873, 874, &end # # 0 AMB 20-2:2066 60 ILE QD1 4.50 (# 2066:20 Single Ambig) &rst ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1638,1603, igr2= 872, 873, 874, &end # # 47 ILE HN 47 ILE QD1 5.50 (# 2067:20 Unique 3.45, 4.21 A) &rst ixpk= 2067, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 636, 637, 638, &end # # 96 TYR HE 47 ILE QD1 5.50 (# 2068:20 Unique 3.85, 6.16 A) &rst ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1414,1419, igr2= 636, 637, 638, &end # # 44 GLU HA 47 ILE QD1 3.50 (# 2069:20 Unique 2.41, 3.12 A) &rst ixpk= 2069, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 636, 637, 638, &end # # 97 LEU HA 47 ILE QD1 3.50 (# 2070:20 Unique 2.18, 3.42 A) &rst ixpk= 2070, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 636, 637, 638, &end # # 0 AMB 20-2:2071 47 ILE QD1 4.50 (# 2071:20 Single Ambig) &rst ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 625, 644, igr2= 636, 637, 638, &end # # 0 AMB 20-2:2072 47 ILE QD1 2.80 (# 2072:20 Single Ambig) &rst ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1482,1483,1479,1480,1479,1480, igr2= 636, 637, 638, &end # # 47 ILE HG1- 47 ILE QD1 2.80 (# 2073:20 Unique 2.33, 2.66 A) &rst ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 633, 634, igr2= 636, 637, 638, &end # # 97 LEU HG 47 ILE QD1 4.50 (# 2074:20 Unique 2.30, 5.48 A) &rst ixpk= 2074, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 636, 637, 638, &end # # 76 ILE HN 76 ILE QD1 4.50 (# 2075:20 Unique 4.66, 5.04 A) &rst ixpk= 2075, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1110,1111,1112, &end # # 85 PHE HD 76 ILE QD1 3.50 (# 2076:20 Unique 3.35, 5.83 A) &rst ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1235,1243, igr2=1110,1111,1112, &end # # 110 PHE HD 76 ILE QD1 2.80 (# 2077:20 Unique 2.87, 5.91 A) &rst ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1644,1652, igr2=1110,1111,1112, &end # # 0 AMB 20-2:2078 76 ILE QD1 4.50 (# 2078:20 Single Ambig) &rst ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1099, 918, 944, igr2=1110,1111,1112, &end # # 64 THR HB 76 ILE QD1 3.50 (# 2079:20 Unique 2.53, 3.28 A) &rst ixpk= 2079, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1110,1111,1112, &end # # 0 AMB 20-2:2080 76 ILE QD1 3.50 (# 2080:20 Single Ambig) &rst ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 949, 950,1217,1218, igr2=1110,1111,1112, &end # # 0 AMB 20-2:2081 76 ILE QD1 2.80 (# 2081:20 Single Ambig) &rst ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1107,1108,1101,2279, igr2=1110,1111,1112, &end # # 113 ILE HA 113 ILE QD1 5.50 (# 2082:20 Unique 4.54, 4.65 A) &rst ixpk= 2082, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1695,1696,1697, &end # # 132 VAL HA 113 ILE QD1 4.50 (# 2083:20 Unique 2.76, 3.31 A) &rst ixpk= 2083, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1695,1696,1697, &end # # 131 ALA MB 113 ILE QD1 3.50 (# 2084:20 Unique 2.76, 4.50 A) &rst ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1981,1982,1983, igr2=1695,1696,1697, &end # # 113 ILE HG1- 113 ILE QD1 2.80 (# 2085:20 Unique 2.37, 2.66 A) &rst ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1692,1693, igr2=1695,1696,1697, &end # # 132 VAL MGY 113 ILE QD1 2.80 (# 2086:20 Unique 2.44, 4.54 A) &rst ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1993,1994,1995,1997,1998,1999, igr2=1695,1696,1697, &end # # 73 ILE QG2 113 ILE QD1 5.50 (# 2087:20 Unique 3.18, 5.32 A) &rst ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2=1695,1696,1697, &end # # 98 ILE HN 98 ILE QD1 3.50 (# 2088:20 Unique 3.46, 4.33 A) &rst ixpk= 2088, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1457,1458,1459, &end # # 112 GLY HA- 76 ILE QD1 3.50 (# 2089:20 Unique 2.18, 3.75 A) &rst ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1677,1678, igr2=1110,1111,1112, &end # # 50 ILE HA 37 ILE QD1 4.50 (# 2090:20 Unique 2.52, 2.96 A) &rst ixpk= 2090, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2091 37 ILE QD1 2.80 (# 2091:20 Single Ambig) &rst ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 512, 513, 730, 731, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2092 37 ILE QD1 2.80 (# 2092:20 Single Ambig) &rst ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 512, 513, 476, 477, 478, 480, 481, 482, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2093 37 ILE QD1 4.50 (# 2093:20 Single Ambig) &rst ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 504, 472, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2094 0 AMB 20-1:2094 4.50 (# 2094:20 Double Ambig) &rst ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1394,1395, 615, 616, igr2=1457,1458,1459, 515, 516, 517, &end # # 0 AMB 20-2:2095 0 AMB 20-1:2095 2.80 (# 2095:20 Double Ambig) &rst ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1=1132,1133,1448, 733, 51, igr2=1457,1458,1459, 515, 516, 517, &end # # 98 ILE HG1- 98 ILE QD1 2.80 (# 2096:20 Unique 2.29, 2.65 A) &rst ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1454,1455, igr2=1457,1458,1459, &end # # 0 AMB 20-2:2097 0 AMB 20-1:2097 2.80 (# 2097:20 Double Ambig) &rst ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1=1450,1451,1452, 735, 736, 737, 739, 740, 741,1454, 1455, 53, 54, 55, 57, 58, 59,1607,1608,1609, 1611,1612,1613,1607,1608,1609,1611,1612,1613, igr2=1457,1458,1459, 515, 516, 517, &end # # 0 AMB 20-2:2098 81 ILE QD1 3.50 (# 2098:20 Single Ambig) &rst ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1138,1392, igr2=1179,1180,1181, &end # # 110 PHE HB+ 81 ILE QD1 4.50 (# 2099:20 Unique 2.22, 2.94 A) &rst ixpk= 2099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1640,1641, igr2=1179,1180,1181, &end # # 81 ILE HB 81 ILE QD1 3.50 (# 2100:20 Unique 2.47, 3.19 A) &rst ixpk= 2100, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1179,1180,1181, &end # # 0 AMB 20-2:2101 81 ILE QD1 4.50 (# 2101:20 Single Ambig) &rst ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1101,1375,1376, igr2=1179,1180,1181, &end # # 127 PRO HD+ 125 THR HB 4.50 (# 2102:20 Unique 1.96, 2.87 A) &rst ixpk= 2102, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1911,1912, &end # # 64 THR HA 64 THR HB 4.50 (# 2103:20 Unique 3.03, 3.04 A) &rst ixpk= 2103, nxpk= 20, iat= 918, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 THR MG2 64 THR HB 2.80 (# 2104:20 Unique 2.37, 2.67 A) &rst ixpk= 2104, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 922, 923, 924, &end # # 104 ASP HB- 101 LEU MDY 5.50 (# 2105:20 Unique 3.78, 7.36 A) &rst ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1552,1553, igr2=1501,1502,1503,1505,1506,1507, &end # # 88 THR HN 88 THR HB 5.50 (# 2106:20 Unique 2.67, 3.35 A) &rst ixpk= 2106, nxpk= 20, iat=1281,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2107 88 THR HB 5.50 (# 2107:20 Single Ambig) &rst ixpk= 2107, nxpk= 20, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1295,1309, &end # # 0 AMB 20-2:2108 2 THR HB 4.50 (# 2108:20 Single Ambig) &rst ixpk= 2108, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 53, 54, 55, 57, 58, 59, 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:2109 2 THR HB 5.50 (# 2109:20 Single Ambig) &rst ixpk= 2109, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 776, 777, 773, 774, &end # # 55 PRO HB+ 2 THR HB 5.50 (# 2110:20 Unique 3.15, 4.39 A) &rst ixpk= 2110, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 776, 777, &end # # 2 THR HA 2 THR HB 5.50 (# 2111:20 Unique 3.01, 3.03 A) &rst ixpk= 2111, nxpk= 20, iat= 23, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 56 THR HN 2 THR HB 5.50 (# 2112:20 Unique 2.51, 2.74 A) &rst ixpk= 2112, nxpk= 20, iat= 783, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ILE QG2 75 ILE QD1 5.50 (# 2113:20 Unique 4.01, 5.81 A) &rst ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2=1091,1092,1093, &end # # 59 LEU MDY 75 ILE QD1 5.50 (# 2114:20 Unique 4.02, 6.03 A) &rst ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 849, 850, 851, 853, 854, 855, igr2=1091,1092,1093, &end # # 0 AMB 20-2:2115 75 ILE QD1 5.50 (# 2115:20 Single Ambig) &rst ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2213,2214,2262,2263, igr2=1091,1092,1093, &end # # 75 ILE HN 75 ILE QD1 5.50 (# 2116:20 Unique 3.20, 4.08 A) &rst ixpk= 2116, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1091,1092,1093, &end # # 0 AMB 20-2:2117 75 ILE QD1 5.50 (# 2117:20 Single Ambig) &rst ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1619,2247, igr2=1091,1092,1093, &end # # 0 AMB 20-2:2118 56 THR HB 5.50 (# 2118:20 Single Ambig) &rst ixpk= 2118, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 804, 805, 804, 805, &end # # 0 AMB 20-2:2119 56 THR HB 5.50 (# 2119:20 Single Ambig) &rst ixpk= 2119, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 801, 802, 776, 777, &end # # 57 ARG HB+ 56 THR HB 5.50 (# 2120:20 Unique 2.99, 4.31 A) &rst ixpk= 2120, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 801, 802, &end # # 89 THR HN 89 THR HB 5.50 (# 2121:20 Unique 2.74, 3.73 A) &rst ixpk= 2121, nxpk= 20, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA MB 134 THR HB 5.50 (# 2122:20 Unique 4.10, 4.60 A) &rst ixpk= 2122, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1981,1982,1983, &end # # 0 AMB 20-2:2123 134 THR HB 5.50 (# 2123:20 Single Ambig) &rst ixpk= 2123, nxpk= 20, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=2007,2008,2090,2091,2090,2091,1991, &end # # 134 THR HA 134 THR HB 5.50 (# 2124:20 Unique 2.98, 3.01 A) &rst ixpk= 2124, nxpk= 20, iat=2020,2022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2125 135 VAL HA 4.50 (# 2125:20 Single Ambig) &rst ixpk= 2125, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1665,1666,1667,1669,1670,1671, 884, 885, 886, 888, 889, 890, &end # # 134 THR MG2 135 VAL HA 4.50 (# 2126:20 Unique 3.56, 4.56 A) &rst ixpk= 2126, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2024,2025,2026, &end # # 138 ARG HG+ 135 VAL HA 5.50 (# 2127:20 Unique 3.89, 4.86 A) &rst ixpk= 2127, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2093,2094, &end # # 0 AMB 20-2:2128 135 VAL HA 5.50 (# 2128:20 Single Ambig) &rst ixpk= 2128, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2110,2233,2241, &end # # 138 ARG HN 135 VAL HA 5.50 (# 2129:20 Unique 3.28, 3.47 A) &rst ixpk= 2129, nxpk= 20, iat=2086,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HN 135 VAL HA 5.50 (# 2130:20 Unique 3.59, 3.62 A) &rst ixpk= 2130, nxpk= 20, iat=2048,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2131 132 VAL HA 4.50 (# 2131:20 Single Ambig) &rst ixpk= 2131, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 286, 287, 236, 237, 238,1692,1693, &end # # 0 AMB 20-2:2132 132 VAL HA 5.50 (# 2132:20 Single Ambig) &rst ixpk= 2132, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1981,1982,1983, 882, &end # # 135 VAL HA 132 VAL HA 5.50 (# 2133:20 Unique 5.39, 5.52 A) &rst ixpk= 2133, nxpk= 20, iat=2034,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 133 GLU HN 132 VAL HA 5.50 (# 2134:20 Unique 3.60, 3.62 A) &rst ixpk= 2134, nxpk= 20, iat=2003,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 135 VAL HN 132 VAL HA 5.50 (# 2135:20 Unique 3.11, 3.22 A) &rst ixpk= 2135, nxpk= 20, iat=2032,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HN 132 VAL HA 5.50 (# 2136:20 Unique 3.86, 3.97 A) &rst ixpk= 2136, nxpk= 20, iat=2048,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 137 GLN HB- 134 THR HA 4.50 (# 2137:20 Unique 2.53, 4.62 A) &rst ixpk= 2137, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2073,2074, &end # # 0 AMB 20-2:2138 134 THR HA 5.50 (# 2138:20 Single Ambig) &rst ixpk= 2138, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2073,2074,2010,2011, &end # # 134 THR HB 134 THR HA 5.50 (# 2140:20 Unique 2.98, 3.01 A) &rst ixpk= 2140, nxpk= 20, iat=2022,2020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2141 48 VAL HA 5.50 (# 2141:20 Single Ambig) &rst ixpk= 2141, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 697, 698, 697, 698, &end # # 51 ARG HN 48 VAL HA 4.50 (# 2142:20 Unique 3.34, 3.44 A) &rst ixpk= 2142, nxpk= 20, iat= 687, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 128 ILE QD1 127 PRO HA 5.50 (# 2143:20 Unique 4.63, 5.52 A) &rst ixpk= 2143, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1937,1938,1939, &end # # 127 PRO HD- 127 PRO HA 4.50 (# 2144:20 Unique 3.10, 3.66 A) &rst ixpk= 2144, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1911,1912, &end # # 0 AMB 20-2:2145 127 PRO HA 3.50 (# 2145:20 Single Ambig) &rst ixpk= 2145, nxpk= 20, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1911,1912,1895, &end # # 128 ILE HN 127 PRO HA 5.50 (# 2146:20 Unique 3.65, 3.70 A) &rst ixpk= 2146, nxpk= 20, iat=1924,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA HN 127 PRO HA 5.50 (# 2147:20 Unique 3.95, 4.12 A) &rst ixpk= 2147, nxpk= 20, iat=1977,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 ASP HN 127 PRO HA 5.50 (# 2148:20 Unique 3.39, 3.50 A) &rst ixpk= 2148, nxpk= 20, iat=1965,1920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2149 128 ILE HA 5.50 (# 2149:20 Single Ambig) &rst ixpk= 2149, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1869,1870,1969,1970,1969,1970, 205, 206, &end # # 71 GLY HA- 128 ILE HA 5.50 (# 2150:20 Unique 2.41, 2.90 A) &rst ixpk= 2150, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 7 CYS HB+ 20 PRO HA 5.50 (# 2151:20 Unique 3.04, 3.80 A) &rst ixpk= 2151, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 20 PRO HD- 20 PRO HA 5.50 (# 2152:20 Unique 3.35, 3.61 A) &rst ixpk= 2152, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 81 ILE HN 78 PRO HA 5.50 (# 2153:20 Unique 2.98, 3.18 A) &rst ixpk= 2153, nxpk= 20, iat=1166,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 80 ASP HN 78 PRO HA 5.50 (# 2154:20 Unique 3.68, 3.83 A) &rst ixpk= 2154, nxpk= 20, iat=1154,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ASP HN 78 PRO HA 5.50 (# 2155:20 Unique 3.53, 3.55 A) &rst ixpk= 2155, nxpk= 20, iat=1142,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 129 LYS HN 128 ILE HA 5.50 (# 2156:20 Unique 3.59, 3.61 A) &rst ixpk= 2156, nxpk= 20, iat=1943,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 131 ALA HN 128 ILE HA 5.50 (# 2157:20 Unique 3.13, 3.19 A) &rst ixpk= 2157, nxpk= 20, iat=1977,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 132 VAL HN 128 ILE HA 5.50 (# 2158:20 Unique 4.00, 4.12 A) &rst ixpk= 2158, nxpk= 20, iat=1987,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ARG HN 0 AMB 20-1:2159 5.50 (# 2159:20 Single Ambig) &rst ixpk= 2159, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 670, 625, &end # # 0 AMB 20-2:2160 98 ILE HA 5.50 (# 2160:20 Single Ambig) &rst ixpk= 2160, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1492,1475, &end # # 0 AMB 20-2:2161 98 ILE HA 5.50 (# 2161:20 Single Ambig) &rst ixpk= 2161, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1463,1511, &end # # 72 GLU HN 70 PRO HA 5.50 (# 2162:20 Unique 3.28, 3.40 A) &rst ixpk= 2162, nxpk= 20, iat=1020,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 GLY HA- 70 PRO HA 5.50 (# 2164:20 Unique 4.40, 4.46 A) &rst ixpk= 2164, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 42 ALA MB 43 PRO HA 5.50 (# 2165:20 Unique 4.83, 5.48 A) &rst ixpk= 2165, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 562, 563, 564, &end # # 46 ASP HB- 43 PRO HA 5.50 (# 2166:20 Unique 2.52, 3.57 A) &rst ixpk= 2166, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 46 ASP HB+ 43 PRO HA 5.50 (# 2167:20 Unique 2.52, 3.57 A) &rst ixpk= 2167, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 43 PRO HD+ 43 PRO HA 4.50 (# 2168:20 Unique 3.44, 3.79 A) &rst ixpk= 2168, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 569, 570, &end # # 0 AMB 20-2:2169 43 PRO HA 5.50 (# 2169:20 Single Ambig) &rst ixpk= 2169, nxpk= 20, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 584, 542, 543, &end # # 44 GLU HN 43 PRO HA 5.50 (# 2170:20 Unique 3.51, 3.54 A) &rst ixpk= 2170, nxpk= 20, iat= 582, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2171 0 AMB 20-1:2171 5.50 (# 2171:20 Double Ambig) &rst ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 128, 558, igr2= 551, 552, 551, 552, &end # # 41 SER HN 41 SER HB+ 5.50 (# 2172:20 Unique 2.32, 3.25 A) &rst ixpk= 2172, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 551, 552, &end # # 0 AMB 20-2:2173 41 SER HB- 5.50 (# 2173:20 Single Ambig) &rst ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 128, 558, igr2= 551, 552, &end # # 41 SER HN 41 SER HB- 4.50 (# 2174:20 Unique 2.32, 3.25 A) &rst ixpk= 2174, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 551, 552, &end # # 85 PHE HD 81 ILE HA 5.50 (# 2175:20 Unique 2.37, 4.83 A) &rst ixpk= 2175, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 136 TYR HD 26 CYS HA 5.50 (# 2176:20 Unique 2.66, 5.27 A) &rst ixpk= 2176, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2056,2065, &end # # 29 ALA HN 26 CYS HA 5.50 (# 2177:20 Unique 2.99, 3.17 A) &rst ixpk= 2177, nxpk= 20, iat= 379, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 PRO HB- 11 SER HB+ 5.50 (# 2178:20 Unique 2.77, 3.69 A) &rst ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 153, 154, &end # # 11 SER HN 11 SER HB+ 5.50 (# 2179:20 Unique 2.79, 3.11 A) &rst ixpk= 2179, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 153, 154, &end # # 0 AMB 20-2:2180 30 PRO HA 5.50 (# 2180:20 Single Ambig) &rst ixpk= 2180, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 407, 408, 330, 331, &end # # 30 PRO HB- 30 PRO HA 4.50 (# 2181:20 Unique 2.26, 2.52 A) &rst ixpk= 2181, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 396, 397, &end # # 81 ILE HG1- 81 ILE HA 4.50 (# 2182:20 Unique 2.35, 2.65 A) &rst ixpk= 2182, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1176,1177, &end # # 20 PRO HB+ 11 SER HB- 5.50 (# 2183:20 Unique 2.77, 3.69 A) &rst ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 153, 154, &end # # 84 MET HN 81 ILE HA 5.50 (# 2184:20 Unique 3.35, 3.49 A) &rst ixpk= 2184, nxpk= 20, iat=1210,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 MET HN 11 SER HB- 5.50 (# 2185:20 Unique 3.16, 3.80 A) &rst ixpk= 2185, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 153, 154, &end # # 35 VAL HN 35 VAL HA 4.50 (# 2186:20 Unique 2.78, 2.84 A) &rst ixpk= 2186, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 ILE QG2 56 THR HA 4.50 (# 2187:20 Unique 3.81, 5.02 A) &rst ixpk= 2187, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1566,1567,1568, &end # # 57 ARG HN 56 THR HA 5.50 (# 2188:20 Unique 3.54, 3.56 A) &rst ixpk= 2188, nxpk= 20, iat= 797, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2190 2 THR HA 5.50 (# 2190:20 Single Ambig) &rst ixpk= 2190, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57, 58, 59, &end # # 3 ASP HA 2 THR HA 5.50 (# 2191:20 Unique 4.51, 4.53 A) &rst ixpk= 2191, nxpk= 20, iat= 37, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 PRO HD- 123 PRO HA 5.50 (# 2192:20 Unique 3.65, 3.89 A) &rst ixpk= 2192, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1849,1850, &end # # 120 PHE HD 120 PHE HA 5.50 (# 2193:20 Unique 2.92, 3.79 A) &rst ixpk= 2193, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1794,1802, &end # # 121 TYR HN 120 PHE HA 3.50 (# 2194:20 Unique 2.04, 2.11 A) &rst ixpk= 2194, nxpk= 20, iat=1806,1788, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 ASP HN 15 ASP HA 5.50 (# 2195:20 Unique 2.84, 2.88 A) &rst ixpk= 2195, nxpk= 20, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 148 PHE HN 148 PHE HA 3.50 (# 2196:20 Unique 2.82, 2.88 A) &rst ixpk= 2196, nxpk= 20, iat=2225,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 124 MET HB+ 15 ASP HA 5.50 (# 2197:20 Unique 2.87, 3.99 A) &rst ixpk= 2197, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1866,1867, &end # # 43 PRO HD- 41 SER HA 5.50 (# 2198:20 Unique 3.04, 3.91 A) &rst ixpk= 2198, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 569, 570, &end # # 20 PRO HG+ 41 SER HA 5.50 (# 2199:20 Unique 5.29, 6.05 A) &rst ixpk= 2199, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 253, 254, &end # # 8 VAL MGY 41 SER HA 5.50 (# 2200:20 Unique 3.24, 5.66 A) &rst ixpk= 2200, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 42 ALA MB 41 SER HA 5.50 (# 2201:20 Unique 4.98, 5.69 A) &rst ixpk= 2201, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 562, 563, 564, &end # # 142 TRP HB- 139 LEU HA 4.50 (# 2203:20 Unique 1.98, 2.80 A) &rst ixpk= 2203, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 0 AMB 20-2:2204 57 ARG HA 5.50 (# 2204:20 Single Ambig) &rst ixpk= 2204, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 53, 54, 55, 57, 58, 59, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:2205 57 ARG HA 5.50 (# 2205:20 Single Ambig) &rst ixpk= 2205, nxpk= 20, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 825, 826,1630,1631,1632, &end # # 58 LEU HA 57 ARG HA 5.50 (# 2206:20 Unique 4.45, 4.50 A) &rst ixpk= 2206, nxpk= 20, iat= 823, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2207 54 ARG HA 5.50 (# 2207:20 Single Ambig) &rst ixpk= 2207, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 755, 756, 755, 756, &end # # 26 CYS HB- 23 ALA HA 5.50 (# 2208:20 Unique 2.30, 3.49 A) &rst ixpk= 2208, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 0 AMB 20-2:2210 23 ALA HA 4.50 (# 2210:20 Single Ambig) &rst ixpk= 2210, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, &end # # 5 LEU MDX 23 ALA HA 5.50 (# 2211:20 Unique 3.06, 5.79 A) &rst ixpk= 2211, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 113 ILE QD1 18 ALA HA 5.50 (# 2212:20 Unique 4.61, 5.34 A) &rst ixpk= 2212, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1695,1696,1697, &end # # 0 AMB 20-2:2213 100 GLN HA 5.50 (# 2213:20 Single Ambig) &rst ixpk= 2213, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 629, 630, 631, 636, 637, 638,1450,1451,1452, &end # # 105 ILE HN 103 GLU HA 5.50 (# 2215:20 Unique 3.65, 4.75 A) &rst ixpk= 2215, nxpk= 20, iat=1560,1535, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 126 GLN HN 125 THR HB 4.50 (# 2216:20 Unique 2.69, 2.84 A) &rst ixpk= 2216, nxpk= 20, iat=1893,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 THR MG2 125 THR HB 3.50 (# 2217:20 Unique 2.20, 2.62 A) &rst ixpk= 2217, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1885,1886,1887, &end # # 126 GLN HB- 125 THR HB 5.50 (# 2218:20 Unique 4.22, 4.75 A) &rst ixpk= 2218, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1897,1898, &end # # 127 PRO HD- 125 THR HB 3.50 (# 2220:20 Unique 1.96, 2.87 A) &rst ixpk= 2220, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1911,1912, &end # # 0 AMB 20-2:2221 64 THR HB 4.50 (# 2221:20 Single Ambig) &rst ixpk= 2221, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 953, 954, 955,1214,1215, &end # # 66 MET HG- 64 THR HB 5.50 (# 2222:20 Unique 2.74, 3.58 A) &rst ixpk= 2222, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 949, 950, &end # # 76 ILE QD1 64 THR HB 4.50 (# 2223:20 Unique 2.53, 3.28 A) &rst ixpk= 2223, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1110,1111,1112, &end # # 66 MET HG+ 64 THR HB 5.50 (# 2224:20 Unique 2.74, 3.58 A) &rst ixpk= 2224, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 949, 950, &end # # 112 GLY HA- 64 THR HB 5.50 (# 2225:20 Unique 2.29, 3.06 A) &rst ixpk= 2225, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1677,1678, &end # # 112 GLY HA+ 64 THR HB 5.50 (# 2226:20 Unique 2.29, 3.06 A) &rst ixpk= 2226, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1677,1678, &end # # 113 ILE HN 64 THR HB 5.50 (# 2227:20 Unique 3.48, 3.68 A) &rst ixpk= 2227, nxpk= 20, iat=1682, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 THR HN 64 THR HB 5.50 (# 2228:20 Unique 2.88, 2.95 A) &rst ixpk= 2228, nxpk= 20, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 ASP HN 64 THR HB 5.50 (# 2229:20 Unique 3.84, 3.93 A) &rst ixpk= 2229, nxpk= 20, iat= 930, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 TYR HD 47 ILE QD1 5.50 (# 2230:20 Unique 4.23, 6.80 A) &rst ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1412,1421, igr2= 636, 637, 638, &end # # 100 GLN HE2- 47 ILE QD1 5.50 (# 2231:20 Unique 1.99, 3.98 A) &rst ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1487,1488, igr2= 636, 637, 638, &end # # 0 AMB 20-2:2232 47 ILE QD1 5.50 (# 2232:20 Single Ambig) &rst ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1475,1492, igr2= 636, 637, 638, &end # # 45 ASN HN 47 ILE QD1 5.50 (# 2233:20 Unique 4.91, 6.01 A) &rst ixpk= 2233, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 636, 637, 638, &end # # 51 ARG HN 50 ILE QD1 5.50 (# 2234:20 Unique 4.21, 5.12 A) &rst ixpk= 2234, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 681, 682, 683, &end # # 46 ASP HA 50 ILE QD1 5.50 (# 2235:20 Unique 4.81, 5.59 A) &rst ixpk= 2235, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 681, 682, 683, &end # # 46 ASP HB- 50 ILE QD1 5.50 (# 2236:20 Unique 2.43, 4.11 A) &rst ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 615, 616, igr2= 681, 682, 683, &end # # 112 GLY HA+ 76 ILE QD1 5.50 (# 2237:20 Unique 2.18, 3.75 A) &rst ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1677,1678, igr2=1110,1111,1112, &end # # 0 AMB 20-2:2238 76 ILE QD1 3.50 (# 2238:20 Single Ambig) &rst ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1=1214,1215, 953, 954, 955, igr2=1110,1111,1112, &end # # 0 AMB 20-2:2239 98 ILE QD1 3.50 (# 2239:20 Single Ambig) &rst ixpk= 2239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1392,1138, igr2=1457,1458,1459, &end # # 0 AMB 20-2:2240 76 ILE QD1 5.50 (# 2240:20 Single Ambig) &rst ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1684, 932, igr2=1110,1111,1112, &end # # 135 VAL HB 113 ILE QD1 4.50 (# 2241:20 Unique 3.58, 4.59 A) &rst ixpk= 2241, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1695,1696,1697, &end # # 0 AMB 20-2:2243 113 ILE QD1 5.50 (# 2243:20 Single Ambig) &rst ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 908,1677,1678, igr2=1695,1696,1697, &end # # 0 AMB 20-2:2244 113 ILE QD1 5.50 (# 2244:20 Single Ambig) &rst ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 234,1945, igr2=1695,1696,1697, &end # # 73 ILE HG1+ 113 ILE QD1 4.50 (# 2245:20 Unique 3.50, 4.37 A) &rst ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1045,1046, igr2=1695,1696,1697, &end # # 110 PHE HB- 81 ILE QD1 5.50 (# 2246:20 Unique 2.22, 2.94 A) &rst ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1640,1641, igr2=1179,1180,1181, &end # # 81 ILE HG1- 81 ILE QD1 2.80 (# 2247:20 Unique 2.29, 2.65 A) &rst ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1176,1177, igr2=1179,1180,1181, &end # # 0 AMB 20-2:2248 81 ILE QD1 2.80 (# 2248:20 Single Ambig) &rst ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1457,1458,1459,1172,1173,1174, igr2=1179,1180,1181, &end # # 36 VAL HA 37 ILE QD1 5.50 (# 2249:20 Unique 5.95, 6.59 A) &rst ixpk= 2249, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 515, 516, 517, &end # # 6 LEU HA 37 ILE QD1 5.50 (# 2250:20 Unique 4.81, 5.71 A) &rst ixpk= 2250, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2251 37 ILE QD1 5.50 (# 2251:20 Single Ambig) &rst ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 521, 486, 101, igr2= 515, 516, 517, &end # # 37 ILE HN 37 ILE QD1 5.50 (# 2252:20 Unique 4.86, 5.33 A) &rst ixpk= 2252, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 515, 516, 517, &end # # 0 AMB 20-2:2253 98 ILE QD1 3.50 (# 2253:20 Single Ambig) &rst ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1132,1133,1135,1136, igr2=1457,1458,1459, &end # # 110 PHE HB- 98 ILE QD1 4.50 (# 2254:20 Unique 2.29, 3.95 A) &rst ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1640,1641, igr2=1457,1458,1459, &end # # 80 ASP HB+ 81 ILE QD1 5.50 (# 2255:20 Unique 5.56, 7.18 A) &rst ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1158,1159, igr2=1179,1180,1181, &end # # 110 PHE HD 81 ILE QD1 5.50 (# 2256:20 Unique 2.43, 4.45 A) &rst ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1644,1652, igr2=1179,1180,1181, &end # # 0 AMB 20-2:2257 81 ILE QD1 5.50 (# 2257:20 Single Ambig) &rst ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1185,1227, igr2=1179,1180,1181, &end # # 53 LEU HN 37 ILE QD1 5.50 (# 2258:20 Unique 4.99, 5.57 A) &rst ixpk= 2258, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 515, 516, 517, &end # # 95 ASN HD2- 98 ILE QD1 5.50 (# 2259:20 Unique 3.09, 7.59 A) &rst ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1399,1400, igr2=1457,1458,1459, &end # # 85 PHE HD 81 ILE QD1 5.50 (# 2260:20 Unique 3.85, 6.82 A) &rst ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1235,1243, igr2=1179,1180,1181, &end # # 81 ILE HN 81 ILE QD1 5.50 (# 2261:20 Unique 3.86, 4.43 A) &rst ixpk= 2261, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1179,1180,1181, &end # # 18 ALA HN 113 ILE QD1 5.50 (# 2262:20 Unique 5.85, 6.84 A) &rst ixpk= 2262, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1695,1696,1697, &end # # 113 ILE HN 113 ILE QD1 5.50 (# 2263:20 Unique 4.09, 4.85 A) &rst ixpk= 2263, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1695,1696,1697, &end # # 0 AMB 20-2:2264 113 ILE QD1 5.50 (# 2264:20 Single Ambig) &rst ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 894,2032, igr2=1695,1696,1697, &end # # 132 VAL HN 113 ILE QD1 5.50 (# 2265:20 Unique 3.50, 4.57 A) &rst ixpk= 2265, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1695,1696,1697, &end # # 0 AMB 20-2:2266 113 ILE QD1 5.50 (# 2266:20 Single Ambig) &rst ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1054,1701, igr2=1695,1696,1697, &end # # 6 LEU HA 50 ILE QD1 5.50 (# 2267:20 Unique 4.86, 5.92 A) &rst ixpk= 2267, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 681, 682, 683, &end # # 59 LEU HA 109 ILE QD1 4.50 (# 2268:20 Unique 2.82, 4.03 A) &rst ixpk= 2268, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2270 109 ILE QD1 5.50 (# 2270:20 Single Ambig) &rst ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 840, 859, igr2=1630,1631,1632, &end # # 0 AMB 20-2:2272 109 ILE QD1 5.50 (# 2272:20 Single Ambig) &rst ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2192,2193,2192,2193, igr2=1630,1631,1632, &end # # 59 LEU MDX 109 ILE QD1 5.50 (# 2273:20 Unique 2.74, 5.67 A) &rst ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 849, 850, 851, 853, 854, 855, igr2=1630,1631,1632, &end # # 148 PHE HB+ 73 ILE QG2 5.50 (# 2274:20 Unique 2.72, 4.56 A) &rst ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2229,2230, igr2=1041,1042,1043, &end # # 113 ILE HA 73 ILE QG2 5.50 (# 2275:20 Unique 3.88, 4.99 A) &rst ixpk= 2275, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 74 ARG HA 73 ILE QG2 5.50 (# 2276:20 Unique 3.52, 4.73 A) &rst ixpk= 2276, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 73 ILE HN 73 ILE QG2 5.50 (# 2278:20 Unique 4.25, 4.48 A) &rst ixpk= 2278, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 0 AMB 20-2:2279 73 ILE QG2 5.50 (# 2279:20 Single Ambig) &rst ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2245,1675, igr2=1041,1042,1043, &end # # 0 AMB 20-2:2280 0 AMB 20-1:2280 5.50 (# 2280:20 Double Ambig) &rst ixpk= 2280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1781,1782,1446, igr2=1757,1758,1759, 865, 866, 867, &end # # 55 PRO HD+ 105 ILE QG2 4.50 (# 2281:20 Unique 4.28, 5.91 A) &rst ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 770, 771, igr2=1566,1567,1568, &end # # 80 ASP HA 76 ILE QG2 5.50 (# 2282:20 Unique 4.78, 5.40 A) &rst ixpk= 2282, nxpk= 20, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1103,1104,1105, &end # # 0 AMB 20-2:2283 76 ILE QG2 5.50 (# 2283:20 Single Ambig) &rst ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1118,2257,1080, igr2=1103,1104,1105, &end # # 77 ASP HB+ 76 ILE QG2 5.50 (# 2284:20 Unique 4.23, 5.69 A) &rst ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1120,1121, igr2=1103,1104,1105, &end # # 145 ASN HB- 75 ILE QG2 5.50 (# 2285:20 Unique 3.30, 5.87 A) &rst ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2201,2202, igr2=1084,1085,1086, &end # # 145 ASN HB+ 75 ILE QG2 5.50 (# 2286:20 Unique 3.30, 5.87 A) &rst ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2201,2202, igr2=1084,1085,1086, &end # # 124 MET HN 124 MET ME 4.50 (# 2288:20 Unique 4.52, 5.59 A) &rst ixpk= 2288, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1873,1874,1875, &end # # 0 AMB 20-2:2289 0 AMB 20-1:2289 5.50 (# 2289:20 Double Ambig) &rst ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 151,1015,1016, 153, 154, igr2=1873,1874,1875, 953, 954, 955, &end # # 0 AMB 20-2:2290 0 AMB 20-1:2290 5.50 (# 2290:20 Double Ambig) &rst ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 265,2274, igr2=1873,1874,1875, 953, 954, 955, &end # # 72 GLU HN 66 MET ME 5.50 (# 2291:20 Unique 4.27, 4.88 A) &rst ixpk= 2291, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 953, 954, 955, &end # # 68 LEU HN 66 MET ME 5.50 (# 2292:20 Unique 3.92, 4.84 A) &rst ixpk= 2292, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2293 66 MET ME 4.50 (# 2293:20 Single Ambig) &rst ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 916,1035, igr2= 953, 954, 955, &end # # 0 AMB 20-2:2294 66 MET ME 5.50 (# 2294:20 Single Ambig) &rst ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1677,1678, 908, igr2= 953, 954, 955, &end # # 129 LYS HN 128 ILE QD1 5.50 (# 2295:20 Unique 4.43, 5.20 A) &rst ixpk= 2295, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1937,1938,1939, &end # # 116 ASP HB+ 128 ILE QD1 5.50 (# 2296:20 Unique 2.50, 4.22 A) &rst ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1736,1737, igr2=1937,1938,1939, &end # # 116 ASP HB- 128 ILE QD1 5.50 (# 2297:20 Unique 2.50, 4.22 A) &rst ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1736,1737, igr2=1937,1938,1939, &end # # 127 PRO HB- 128 ILE QD1 3.50 (# 2298:20 Unique 2.27, 4.23 A) &rst ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1917,1918, igr2=1937,1938,1939, &end # # 104 ASP HB+ 105 ILE QD1 5.50 (# 2299:20 Unique 4.12, 6.19 A) &rst ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1552,1553, igr2=1573,1574,1575, &end # # 0 AMB 20-2:2300 105 ILE QD1 5.50 (# 2300:20 Single Ambig) &rst ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1494, 779, igr2=1573,1574,1575, &end # # 39 GLY HA+ 37 ILE QG2 5.50 (# 2302:20 Unique 3.98, 5.07 A) &rst ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 535, 536, igr2= 508, 509, 510, &end # # 38 ASP HA 37 ILE QG2 4.50 (# 2303:20 Unique 3.72, 4.86 A) &rst ixpk= 2303, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 508, 509, 510, &end # # 85 PHE HB- 81 ILE QG2 5.50 (# 2304:20 Unique 2.69, 4.24 A) &rst ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1231,1232, igr2=1172,1173,1174, &end # # 110 PHE HN 75 ILE QG2 5.50 (# 2305:20 Unique 3.35, 4.57 A) &rst ixpk= 2305, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1084,1085,1086, &end # # 75 ILE HN 75 ILE QG2 5.50 (# 2306:20 Unique 4.24, 4.44 A) &rst ixpk= 2306, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1084,1085,1086, &end # # 0 AMB 20-2:2307 75 ILE QG2 5.50 (# 2307:20 Single Ambig) &rst ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2206,2207,2267,2268, igr2=1084,1085,1086, &end # # 150 GLN HE2+ 75 ILE QG2 5.50 (# 2308:20 Unique 2.65, 4.75 A) &rst ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2267,2268, igr2=1084,1085,1086, &end # # 145 ASN HD2+ 75 ILE QG2 5.50 (# 2309:20 Unique 2.06, 4.59 A) &rst ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2206,2207, igr2=1084,1085,1086, &end # # 10 ASN HB+ 13 MET ME 5.50 (# 2323:20 Unique 3.82, 5.37 A) &rst ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 139, 140, igr2= 188, 189, 190, &end # # 0 AMB 20-2:2324 13 MET ME 5.50 (# 2324:20 Single Ambig) &rst ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 215,1788, igr2= 188, 189, 190, &end # # 13 MET HA 13 MET ME 5.50 (# 2325:20 Unique 4.91, 5.55 A) &rst ixpk= 2325, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 188, 189, 190, &end # # 119 GLY HN 13 MET ME 5.50 (# 2326:20 Unique 4.08, 5.13 A) &rst ixpk= 2326, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 188, 189, 190, &end # # 120 PHE HD 13 MET ME 5.50 (# 2327:20 Unique 4.40, 6.59 A) &rst ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1794,1802, igr2= 188, 189, 190, &end # # 10 ASN HD2- 13 MET ME 5.50 (# 2329:20 Unique 3.31, 5.31 A) &rst ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 144, 145, igr2= 188, 189, 190, &end # # 16 ASP HB- 13 MET ME 5.50 (# 2330:20 Unique 2.39, 4.61 A) &rst ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 217, 218, igr2= 188, 189, 190, &end # # 0 AMB 20-2:2332 23 ALA MB 5.50 (# 2332:20 Single Ambig) &rst ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 101, 521, igr2= 305, 306, 307, &end # # 0 AMB 20-2:2333 23 ALA MB 5.50 (# 2333:20 Single Ambig) &rst ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 265, 504, igr2= 305, 306, 307, &end # # 26 CYS HB+ 23 ALA MB 4.50 (# 2334:20 Unique 4.21, 5.91 A) &rst ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 352, 353, igr2= 305, 306, 307, &end # # 0 AMB 20-2:2335 47 ILE QG2 4.50 (# 2335:20 Single Ambig) &rst ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1492,1475, 658, igr2= 629, 630, 631, &end # # 51 ARG HN 47 ILE QG2 5.50 (# 2336:20 Unique 4.48, 5.15 A) &rst ixpk= 2336, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 629, 630, 631, &end # # 97 LEU HA 47 ILE QG2 5.50 (# 2337:20 Unique 4.60, 5.99 A) &rst ixpk= 2337, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 629, 630, 631, &end # # 37 ILE HN 37 ILE QG2 5.50 (# 2338:20 Unique 4.18, 4.65 A) &rst ixpk= 2338, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 508, 509, 510, &end # # 39 GLY HN 37 ILE QG2 5.50 (# 2339:20 Unique 3.51, 4.79 A) &rst ixpk= 2339, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 508, 509, 510, &end # # 0 AMB 20-2:2340 37 ILE QG2 4.50 (# 2340:20 Single Ambig) &rst ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 668, 611, igr2= 508, 509, 510, &end # # 38 ASP HB- 37 ILE QG2 5.50 (# 2341:20 Unique 5.02, 5.98 A) &rst ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 525, 526, igr2= 508, 509, 510, &end # # 113 ILE HN 113 ILE QG2 5.50 (# 2342:20 Unique 4.28, 4.65 A) &rst ixpk= 2342, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1688,1689,1690, &end # # 63 ALA HA 113 ILE QG2 5.50 (# 2343:20 Unique 3.81, 4.54 A) &rst ixpk= 2343, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1688,1689,1690, &end # # 0 AMB 20-2:2344 73 ILE QG2 5.50 (# 2344:20 Single Ambig) &rst ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1=1981,1982,1983,1058,1059, igr2=1041,1042,1043, &end # # 15 ASP HN 117 ILE QD1 5.50 (# 2345:20 Unique 2.10, 3.91 A) &rst ixpk= 2345, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1757,1758,1759, &end # # 71 GLY HN 113 ILE QG2 5.50 (# 2346:20 Unique 3.37, 4.00 A) &rst ixpk= 2346, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1688,1689,1690, &end # # 73 ILE QG2 113 ILE QG2 5.50 (# 2347:20 Unique 4.73, 6.48 A) &rst ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2=1688,1689,1690, &end # # 0 AMB 20-2:2348 18 ALA MB 5.50 (# 2348:20 Single Ambig) &rst ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1987, 112, igr2= 236, 237, 238, &end # # 18 ALA HN 63 ALA MB 4.50 (# 2349:20 Unique 3.56, 4.48 A) &rst ixpk= 2349, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 910, 911, 912, &end # # 150 GLN HA 149 ALA MB 5.50 (# 2351:20 Unique 4.78, 5.34 A) &rst ixpk= 2351, nxpk= 20, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2249,2250,2251, &end # # 74 ARG HA 149 ALA MB 5.50 (# 2352:20 Unique 3.73, 4.78 A) &rst ixpk= 2352, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2249,2250,2251, &end # # 148 PHE HB+ 149 ALA MB 5.50 (# 2354:20 Unique 4.52, 5.95 A) &rst ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2229,2230, igr2=2249,2250,2251, &end # # 0 AMB 20-2:2355 131 ALA MB 5.50 (# 2355:20 Single Ambig) &rst ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1969,1970,1969,1970, igr2=1981,1982,1983, &end # # 132 VAL HA 131 ALA MB 5.50 (# 2356:20 Unique 4.31, 4.85 A) &rst ixpk= 2356, nxpk= 20, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1981,1982,1983, &end # # 43 PRO HD- 42 ALA MB 4.50 (# 2357:20 Unique 4.33, 4.88 A) &rst ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 569, 570, igr2= 562, 563, 564, &end # # 84 MET HB+ 64 THR MG2 3.50 (# 2358:20 Unique 2.71, 4.14 A) &rst ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1214,1215, igr2= 922, 923, 924, &end # # 0 AMB 20-2:2359 64 THR MG2 3.50 (# 2359:20 Single Ambig) &rst ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 949, 950,1268,1269, igr2= 922, 923, 924, &end # # 0 AMB 20-2:2360 61 VAL MGX 5.50 (# 2360:20 Single Ambig) &rst ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 286, 287, 898, 899, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:2361 61 VAL MGX 5.50 (# 2361:20 Single Ambig) &rst ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 898, 899, 105, 106, igr2= 884, 885, 886, 888, 889, 890, &end # # 19 GLY HA+ 61 VAL MGX 5.50 (# 2362:20 Unique 2.84, 5.24 A) &rst ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 244, 245, igr2= 884, 885, 886, 888, 889, 890, &end # # 7 CYS HA 61 VAL MGX 5.50 (# 2363:20 Unique 4.15, 5.31 A) &rst ixpk= 2363, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 8 VAL HN 61 VAL MGX 5.50 (# 2364:20 Unique 4.53, 5.83 A) &rst ixpk= 2364, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 111 LEU HN 61 VAL MGY 5.50 (# 2365:20 Unique 3.38, 4.99 A) &rst ixpk= 2365, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 4 VAL HA 4 VAL MGX 3.50 (# 2366:20 Unique 2.38, 3.19 A) &rst ixpk= 2366, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 53, 54, 55, 57, 58, 59, &end # # 41 SER HB+ 42 ALA MB 5.50 (# 2367:20 Unique 4.00, 6.08 A) &rst ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 551, 552, igr2= 562, 563, 564, &end # # 43 PRO HA 42 ALA MB 5.50 (# 2368:20 Unique 4.83, 5.48 A) &rst ixpk= 2368, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 562, 563, 564, &end # # 98 ILE HA 108 VAL MGY 5.50 (# 2369:20 Unique 3.14, 5.12 A) &rst ixpk= 2369, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1607,1608,1609,1611,1612,1613, &end # # 22 LEU MDY 139 LEU MDY 5.50 (# 2370:20 Unique 2.88, 5.65 A) &rst ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 291, 292, 293, 295, 296, 297, igr2=2119,2120,2121,2123,2124,2125, &end # # 22 LEU HG 139 LEU MDY 5.50 (# 2371:20 Unique 5.30, 6.93 A) &rst ixpk= 2371, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 136 TYR HA 139 LEU MDY 4.50 (# 2372:20 Unique 2.18, 4.40 A) &rst ixpk= 2372, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:2374 139 LEU MDY 5.50 (# 2374:20 Single Ambig) &rst ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 459,2159, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:2375 139 LEU MDY 5.50 (# 2375:20 Single Ambig) &rst ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=2170,2168, 465, igr2=2119,2120,2121,2123,2124,2125, &end # # 43 PRO HD+ 8 VAL MGX 5.50 (# 2377:20 Unique 2.31, 4.88 A) &rst ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 569, 570, igr2= 118, 119, 120, 122, 123, 124, &end # # 0 AMB 20-2:2379 135 VAL MGX 5.50 (# 2379:20 Single Ambig) &rst ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=2233,2241,2110, igr2=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 20-2:2380 0 AMB 20-1:2380 4.50 (# 2380:20 Double Ambig) &rst ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 232,2099, igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042, 2043,2044, &end # # 133 GLU HN 0 AMB 20-1:2381 5.50 (# 2381:20 Single Ambig) &rst ixpk= 2381, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr2=1993,1994,1995,1997,1998,1999,2038,2039,2040,2042, 2043,2044, &end # # 0 AMB 20-2:2382 101 LEU MDY 4.50 (# 2382:20 Single Ambig) &rst ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1511, 711, igr2=1501,1502,1503,1505,1506,1507, &end # # 51 ARG HN 101 LEU MDY 5.50 (# 2383:20 Unique 2.79, 5.03 A) &rst ixpk= 2383, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1501,1502,1503,1505,1506,1507, &end # # 39 GLY HA+ 6 LEU MDY 3.50 (# 2384:20 Unique 2.21, 4.69 A) &rst ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 535, 536, igr2= 91, 92, 93, 95, 96, 97, &end # # 7 CYS HA 6 LEU MDY 5.50 (# 2385:20 Unique 4.80, 6.26 A) &rst ixpk= 2385, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 91, 92, 93, 95, 96, 97, &end # # 139 LEU MDY 59 LEU MDY 5.50 (# 2386:20 Unique 2.56, 5.55 A) &rst ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=2119,2120,2121,2123,2124,2125, igr2= 849, 850, 851, 853, 854, 855, &end # # 106 GLY HA+ 56 THR MG2 4.50 (# 2387:20 Unique 3.49, 5.56 A) &rst ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1581,1582, igr2= 789, 790, 791, &end # # 106 GLY HN 56 THR MG2 5.50 (# 2388:20 Unique 4.09, 5.13 A) &rst ixpk= 2388, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 789, 790, 791, &end # # 57 ARG HN 56 THR MG2 5.50 (# 2389:20 Unique 3.21, 4.24 A) &rst ixpk= 2389, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 789, 790, 791, &end # # 127 PRO HD+ 125 THR MG2 5.50 (# 2390:20 Unique 2.70, 5.04 A) &rst ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1911,1912, igr2=1885,1886,1887, &end # # 46 ASP HB- 6 LEU MDY 3.50 (# 2392:20 Unique 2.66, 4.50 A) &rst ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 615, 616, igr2= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:2393 0 AMB 20-1:2393 5.50 (# 2393:20 Double Ambig) &rst ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2117,2133,2134, igr2= 410, 411, 410, 411, &end # # 31 LYS HE+ 31 LYS HG+ 5.50 (# 2394:20 Unique 2.32, 3.08 A) &rst ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 410, 411, &end # # 31 LYS HE- 31 LYS HG+ 5.50 (# 2395:20 Unique 2.32, 3.08 A) &rst ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 410, 411, &end # # 0 AMB 20-2:2397 59 LEU MDY 5.50 (# 2397:20 Single Ambig) &rst ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1636,1617, igr2= 849, 850, 851, 853, 854, 855, &end # # 5 LEU HN 5 LEU MDY 5.50 (# 2398:20 Unique 4.25, 5.37 A) &rst ixpk= 2398, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 59 LEU HN 5 LEU MDY 5.50 (# 2399:20 Unique 3.97, 6.30 A) &rst ixpk= 2399, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 61 VAL HN 5 LEU MDY 5.50 (# 2400:20 Unique 4.03, 5.97 A) &rst ixpk= 2400, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 7 CYS HA 5 LEU MDY 5.50 (# 2401:20 Unique 3.45, 5.28 A) &rst ixpk= 2401, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 152 ALA HA 151 LEU MDY 4.50 (# 2402:20 Unique 2.47, 5.16 A) &rst ixpk= 2402, nxpk= 20, iat=2293, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 20-2:2403 151 LEU MDY 5.50 (# 2403:20 Single Ambig) &rst ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2272,1054, igr2=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 20-2:2404 56 THR MG2 5.50 (# 2404:20 Single Ambig) &rst ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 799, 37, igr2= 789, 790, 791, &end # # 0 AMB 20-2:2405 125 THR MG2 5.50 (# 2405:20 Single Ambig) &rst ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1869,1870,1831,1832, igr2=1885,1886,1887, &end # # 0 AMB 20-2:2406 102 LYS HG- 3.50 (# 2406:20 Single Ambig) &rst ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613,1450,1451,1452, igr2=1518,1519, &end # # 0 AMB 20-2:2407 0 AMB 20-1:2407 3.50 (# 2407:20 Double Ambig) &rst ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1605,1537,1538, igr2=1518,1519,1518,1519, &end # # 102 LYS HA 102 LYS HG+ 5.50 (# 2408:20 Unique 2.30, 3.35 A) &rst ixpk= 2408, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1518,1519, &end # # 102 LYS HA 102 LYS HG- 4.50 (# 2409:20 Unique 2.30, 3.35 A) &rst ixpk= 2409, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1518,1519, &end # # 99 ASP HA 102 LYS HG+ 5.50 (# 2410:20 Unique 2.35, 3.81 A) &rst ixpk= 2410, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1518,1519, &end # # 99 ASP HA 102 LYS HG- 5.50 (# 2411:20 Unique 2.35, 3.81 A) &rst ixpk= 2411, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1518,1519, &end # # 0 AMB 20-2:2412 25 LYS HG- 4.50 (# 2412:20 Single Ambig) &rst ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 339, 340, 339, 340, igr2= 333, 334, &end # # 0 AMB 20-2:2413 25 LYS HG- 5.50 (# 2413:20 Single Ambig) &rst ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 315, 316, 315, 316, igr2= 333, 334, &end # # 63 ALA MB 115 PRO HG+ 4.50 (# 2414:20 Unique 2.20, 4.55 A) &rst ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 910, 911, 912, igr2=1722,1723, &end # # 115 PRO HD- 115 PRO HG+ 4.50 (# 2415:20 Unique 2.31, 2.59 A) &rst ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1719,1720, igr2=1722,1723, &end # # 115 PRO HD+ 115 PRO HG+ 4.50 (# 2416:20 Unique 2.31, 2.59 A) &rst ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1719,1720, igr2=1722,1723, &end # # 0 AMB 20-2:2417 0 AMB 20-1:2417 5.50 (# 2417:20 Double Ambig) &rst ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1728, 932, igr2=1722,1723,1722,1723, &end # # 0 AMB 20-2:2418 139 LEU HG 5.50 (# 2418:20 Single Ambig) &rst ixpk= 2418, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 291, 292, 293, 295, 296, 297, 492, 493, 494, 496, 497, 498, &end # # 139 LEU HB- 139 LEU HG 4.50 (# 2419:20 Unique 2.19, 2.41 A) &rst ixpk= 2419, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2114,2115, &end # # 139 LEU HA 139 LEU HG 5.50 (# 2420:20 Unique 3.63, 3.77 A) &rst ixpk= 2420, nxpk= 20, iat=2112,2117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 133 GLU HA 133 GLU HB+ 4.50 (# 2421:20 Unique 2.45, 2.77 A) &rst ixpk= 2421, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2007,2008, &end # # 130 ASP HA 133 GLU HB+ 4.50 (# 2422:20 Unique 2.32, 3.10 A) &rst ixpk= 2422, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2007,2008, &end # # 32 GLY HN 31 LYS HD- 5.50 (# 2423:20 Unique 3.01, 4.36 A) &rst ixpk= 2423, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 413, 414, &end # # 126 GLN HA 129 LYS HD+ 5.50 (# 2424:20 Unique 2.72, 3.27 A) &rst ixpk= 2424, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1953,1954, &end # # 127 PRO HD- 127 PRO HB- 5.50 (# 2425:20 Unique 2.80, 3.68 A) &rst ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1911,1912, igr2=1917,1918, &end # # 127 PRO HD+ 127 PRO HB- 4.50 (# 2427:20 Unique 2.80, 3.68 A) &rst ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1911,1912, igr2=1917,1918, &end # # 22 LEU HA 25 LYS HD- 4.50 (# 2428:20 Unique 2.30, 3.43 A) &rst ixpk= 2428, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 336, 337, &end # # 129 LYS HE+ 129 LYS HD- 4.50 (# 2429:20 Unique 2.43, 2.77 A) &rst ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1956,1957, igr2=1953,1954, &end # # 44 GLU HA 47 ILE HG1+ 5.50 (# 2430:20 Unique 2.23, 3.03 A) &rst ixpk= 2430, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 633, 634, &end # # 47 ILE HN 47 ILE HG1+ 5.50 (# 2431:20 Unique 2.23, 3.00 A) &rst ixpk= 2431, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 633, 634, &end # # 142 TRP HN 0 AMB 20-1:2432 4.50 (# 2432:20 Single Ambig) &rst ixpk= 2432, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=2090,2091,2090,2091, &end # # 138 ARG HE 0 AMB 20-1:2433 5.50 (# 2433:20 Single Ambig) &rst ixpk= 2433, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=2090,2091,2090,2091, &end # # 71 GLY HN 0 AMB 20-1:2435 5.50 (# 2435:20 Single Ambig) &rst ixpk= 2435, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1705,1706,1705,1706, &end # # 7 CYS HN 7 CYS HB- 5.50 (# 2436:20 Unique 2.17, 3.01 A) &rst ixpk= 2436, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 8 VAL HN 7 CYS HB- 5.50 (# 2437:20 Unique 3.12, 3.67 A) &rst ixpk= 2437, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 35 VAL HN 34 TRP HB- 5.50 (# 2438:20 Unique 2.88, 3.85 A) &rst ixpk= 2438, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 34 TRP HD1 34 TRP HB- 5.50 (# 2439:20 Unique 2.39, 3.11 A) &rst ixpk= 2439, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 5 LEU HB+ 34 TRP HB+ 5.50 (# 2440:20 Unique 2.31, 3.41 A) &rst ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 67, 68, igr2= 450, 451, &end # # 139 LEU HA 142 TRP HB+ 4.50 (# 2441:20 Unique 1.98, 2.80 A) &rst ixpk= 2441, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2155,2156, &end # # 148 PHE HD 142 TRP HB+ 5.50 (# 2442:20 Unique 4.49, 7.54 A) &rst ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2233,2241, igr2=2155,2156, &end # # 148 PHE HD 142 TRP HB- 5.50 (# 2443:20 Unique 4.49, 7.54 A) &rst ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2233,2241, igr2=2155,2156, &end # # 139 LEU HA 142 TRP HB- 5.50 (# 2444:20 Unique 1.98, 2.80 A) &rst ixpk= 2444, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2155,2156, &end # # 0 AMB 20-2:2445 0 AMB 20-1:2445 5.50 (# 2445:20 Double Ambig) &rst ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2175,2129, igr2=2155,2156,2155,2156, &end # # 34 TRP HE1 142 TRP HB+ 5.50 (# 2446:20 Unique 2.96, 4.06 A) &rst ixpk= 2446, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2155,2156, &end # # 0 AMB 20-2:2447 142 TRP HB- 5.50 (# 2447:20 Single Ambig) &rst ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2175,2129, igr2=2155,2156, &end # # 34 TRP HE1 142 TRP HB- 5.50 (# 2448:20 Unique 2.96, 4.06 A) &rst ixpk= 2448, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2155,2156, &end # # 86 MET HB- 90 HIS HB+ 5.50 (# 2449:20 Unique 3.42, 5.82 A) &rst ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1251,1252, igr2=1313,1314, &end # # 86 MET HB- 90 HIS HB- 5.50 (# 2450:20 Unique 3.42, 5.82 A) &rst ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1251,1252, igr2=1313,1314, &end # # 90 HIS HD2 90 HIS HB- 5.50 (# 2452:20 Unique 2.55, 3.22 A) &rst ixpk= 2452, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1313,1314, &end # # 91 ASN HN 90 HIS HB+ 5.50 (# 2453:20 Unique 2.62, 3.91 A) &rst ixpk= 2453, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1313,1314, &end # # 89 THR HN 90 HIS HB- 5.50 (# 2454:20 Unique 4.38, 5.47 A) &rst ixpk= 2454, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1313,1314, &end # # 35 VAL HN 34 TRP HB+ 5.50 (# 2455:20 Unique 2.88, 3.85 A) &rst ixpk= 2455, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 34 TRP HD1 34 TRP HB+ 5.50 (# 2456:20 Unique 2.39, 3.11 A) &rst ixpk= 2456, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 39 GLY HN 7 CYS HB+ 5.50 (# 2457:20 Unique 3.34, 4.21 A) &rst ixpk= 2457, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 34 TRP HN 34 TRP HB+ 5.50 (# 2458:20 Unique 2.48, 3.13 A) &rst ixpk= 2458, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 19 GLY HA+ 7 CYS HB+ 5.50 (# 2461:20 Unique 2.67, 3.76 A) &rst ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 244, 245, igr2= 105, 106, &end # # 4 VAL HA 34 TRP HB+ 5.50 (# 2462:20 Unique 3.40, 4.17 A) &rst ixpk= 2462, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 6 LEU HA 7 CYS HB+ 5.50 (# 2463:20 Unique 4.28, 5.12 A) &rst ixpk= 2463, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 4 VAL HA 34 TRP HB- 5.50 (# 2464:20 Unique 3.40, 4.17 A) &rst ixpk= 2464, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 450, 451, &end # # 5 LEU MDX 34 TRP HB+ 5.50 (# 2465:20 Unique 3.44, 5.67 A) &rst ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 450, 451, &end # # 5 LEU MDX 34 TRP HB- 5.50 (# 2466:20 Unique 3.44, 5.67 A) &rst ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 450, 451, &end # # 5 LEU HB+ 34 TRP HB- 5.50 (# 2467:20 Unique 2.31, 3.41 A) &rst ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 67, 68, igr2= 450, 451, &end # # 113 ILE QG2 131 ALA HA 5.50 (# 2468:20 Unique 4.89, 5.45 A) &rst ixpk= 2468, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1688,1689,1690, &end # # 8 VAL HB 7 CYS HB+ 5.50 (# 2470:20 Unique 5.81, 6.18 A) &rst ixpk= 2470, nxpk= 20, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 34 TRP HA 34 TRP HB- 4.50 (# 2471:20 Unique 2.30, 2.69 A) &rst ixpk= 2471, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 450, 451, &end # # 0 AMB 20-2:2472 0 AMB 20-1:2472 5.50 (# 2472:20 Double Ambig) &rst ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95, 96, 97, 492, 493, 494, 496, 497, 498, igr2= 105, 106, 105, 106, 105, 106, &end # # 39 GLY HN 7 CYS HB- 5.50 (# 2473:20 Unique 3.34, 4.21 A) &rst ixpk= 2473, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 0 AMB 20-2:2474 7 CYS HB- 5.50 (# 2474:20 Single Ambig) &rst ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 301, 282, igr2= 105, 106, &end # # 71 GLY HA- 127 PRO HB+ 5.50 (# 2475:20 Unique 2.34, 3.94 A) &rst ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1015,1016, igr2=1917,1918, &end # # 127 PRO HD- 127 PRO HB+ 4.50 (# 2476:20 Unique 2.80, 3.68 A) &rst ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1911,1912, igr2=1917,1918, &end # # 71 GLY HA+ 127 PRO HB+ 3.50 (# 2477:20 Unique 2.34, 3.94 A) &rst ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1015,1016, igr2=1917,1918, &end # # 70 PRO HA 0 AMB 20-1:2478 4.50 (# 2478:20 Single Ambig) &rst ixpk= 2478, nxpk= 20, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1705,1706,1705,1706, &end # # 46 ASP HB+ 50 ILE HG1- 5.50 (# 2479:20 Unique 2.53, 4.33 A) &rst ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 615, 616, igr2= 678, 679, &end # # 136 TYR HB- 25 LYS HD+ 5.50 (# 2480:20 Unique 2.42, 3.28 A) &rst ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 336, 337, &end # # 136 TYR HB- 25 LYS HD- 5.50 (# 2481:20 Unique 2.42, 3.28 A) &rst ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 336, 337, &end # # 136 TYR HB+ 25 LYS HD- 5.50 (# 2482:20 Unique 2.42, 3.28 A) &rst ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 336, 337, &end # # 133 GLU HA 25 LYS HD+ 5.50 (# 2483:20 Unique 2.57, 2.81 A) &rst ixpk= 2483, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 336, 337, &end # # 133 GLU HA 25 LYS HD- 5.50 (# 2484:20 Unique 2.57, 2.81 A) &rst ixpk= 2484, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 336, 337, &end # # 128 ILE HN 127 PRO HB- 5.50 (# 2485:20 Unique 2.86, 3.72 A) &rst ixpk= 2485, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1917,1918, &end # # 81 ILE QD1 110 PHE HB+ 5.50 (# 2486:20 Unique 2.22, 2.94 A) &rst ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1179,1180,1181, igr2=1640,1641, &end # # 0 AMB 20-2:2487 0 AMB 20-1:2487 5.50 (# 2487:20 Double Ambig) &rst ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 869, 870,1107,1108, igr2=1640,1641,1640,1641, &end # # 0 AMB 20-2:2488 0 AMB 20-1:2488 5.50 (# 2488:20 Double Ambig) &rst ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1457,1458,1459, 872, 873, 874, igr2=1640,1641,1640,1641, &end # # 0 AMB 20-2:2489 0 AMB 20-1:2489 5.50 (# 2489:20 Double Ambig) &rst ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99, igr1=1623,1624,1625,1084,1085,1086,1660,1661, igr2=1640,1641,1640,1641,1640,1641, &end # # 0 AMB 20-2:2490 0 AMB 20-1:2490 4.50 (# 2490:20 Double Ambig) &rst ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1101,1107,1108, igr2=1640,1641,1640,1641, &end # # 110 PHE HA 110 PHE HB+ 4.50 (# 2491:20 Unique 2.55, 2.82 A) &rst ixpk= 2491, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1640,1641, &end # # 110 PHE HD 110 PHE HB+ 4.50 (# 2492:20 Unique 2.30, 3.09 A) &rst ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1644,1652, igr2=1640,1641, &end # # 0 AMB 20-2:2493 0 AMB 20-1:2493 5.50 (# 2493:20 Double Ambig) &rst ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1097,1116, igr2=1640,1641,1640,1641, &end # # 111 LEU HN 110 PHE HB+ 5.50 (# 2494:20 Unique 3.68, 4.07 A) &rst ixpk= 2494, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1640,1641, &end # # 110 PHE HN 110 PHE HB+ 4.50 (# 2495:20 Unique 2.63, 2.86 A) &rst ixpk= 2495, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1640,1641, &end # # 0 AMB 20-2:2496 0 AMB 20-1:2496 5.50 (# 2496:20 Double Ambig) &rst ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042, 2043,2044,1993,1994,1995,1997,1998,1999, igr2=2052,2053,2052,2053,2052,2053, &end # # 0 AMB 20-2:2497 0 AMB 20-1:2497 5.50 (# 2497:20 Double Ambig) &rst ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 336, 337, 286, 287, igr2=2052,2053,2052,2053, &end # # 0 AMB 20-2:2498 0 AMB 20-1:2498 5.50 (# 2498:20 Double Ambig) &rst ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2117,2036,2007,2008, igr2=2052,2053,2052,2053,2052,2053, &end # # 0 AMB 20-2:2499 0 AMB 20-1:2499 5.50 (# 2499:20 Double Ambig) &rst ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 330, 331,2119,2120,2121,2123,2124,2125, igr2=2052,2053,2052,2053, &end # # 0 AMB 20-2:2500 0 AMB 20-1:2500 5.50 (# 2500:20 Double Ambig) &rst ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 284,2071, igr2=2052,2053,2052,2053, &end # # 136 TYR HA 136 TYR HB+ 4.50 (# 2501:20 Unique 2.22, 2.68 A) &rst ixpk= 2501, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2052,2053, &end # # 145 ASN HD2+ 145 ASN HB+ 5.50 (# 2502:20 Unique 2.18, 3.18 A) &rst ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2206,2207, igr2=2201,2202, &end # # 145 ASN HD2- 145 ASN HB+ 4.50 (# 2503:20 Unique 2.18, 3.18 A) &rst ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2206,2207, igr2=2201,2202, &end # # 0 AMB 20-2:2504 0 AMB 20-1:2504 4.50 (# 2504:20 Double Ambig) &rst ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2069,2018, igr2=2052,2053,2052,2053, &end # # 0 AMB 20-2:2505 0 AMB 20-1:2505 5.50 (# 2505:20 Double Ambig) &rst ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1268,1269,1199,1200, igr2=1231,1232,1231,1232, &end # # 81 ILE QG2 85 PHE HB+ 5.50 (# 2506:20 Unique 2.69, 4.24 A) &rst ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1172,1173,1174, igr2=1231,1232, &end # # 0 AMB 20-2:2508 0 AMB 20-1:2508 5.50 (# 2508:20 Double Ambig) &rst ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=1427,1358,1359,1358,1359, igr2=1408,1409,1408,1409,1408,1409, &end # # 93 PRO HD- 0 AMB 20-1:2510 5.50 (# 2510:20 Single Ambig) &rst ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1358,1359, igr2=1408,1409,1408,1409, &end # # 0 AMB 20-2:2511 0 AMB 20-1:2511 5.50 (# 2511:20 Double Ambig) &rst ixpk= 2511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1364,1365,1364,1365, igr2=1408,1409,1408,1409, &end # # 96 TYR HE 0 AMB 20-1:2512 5.50 (# 2512:20 Single Ambig) &rst ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1414,1419, igr2=1408,1409,1408,1409, &end # # 0 AMB 20-2:2513 145 ASN HB- 4.50 (# 2513:20 Single Ambig) &rst ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1084,1085,1086,1623,1624,1625, igr2=2201,2202, &end # # 75 ILE HG1+ 145 ASN HB- 3.50 (# 2514:20 Unique 2.06, 4.09 A) &rst ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1088,1089, igr2=2201,2202, &end # # 144 GLY HA+ 145 ASN HB- 5.50 (# 2515:20 Unique 3.89, 5.50 A) &rst ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2192,2193, igr2=2201,2202, &end # # 145 ASN HN 145 ASN HB- 5.50 (# 2516:20 Unique 2.18, 3.04 A) &rst ixpk= 2516, nxpk= 20, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2201,2202, &end # # 145 ASN HD2- 145 ASN HB- 3.50 (# 2517:20 Unique 2.18, 3.18 A) &rst ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2206,2207, igr2=2201,2202, &end # # 145 ASN HD2+ 145 ASN HB- 4.50 (# 2518:20 Unique 2.18, 3.18 A) &rst ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2206,2207, igr2=2201,2202, &end # # 0 AMB 20-2:2519 136 TYR HB- 4.50 (# 2519:20 Single Ambig) &rst ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 291, 292, 293, 295, 296, 297,2038,2039,2040,2042, 2043,2044,1993,1994,1995,1997,1998,1999, igr2=2052,2053, &end # # 0 AMB 20-2:2520 136 TYR HB- 4.50 (# 2520:20 Single Ambig) &rst ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2069,2018, igr2=2052,2053, &end # # 0 AMB 20-2:2521 0 AMB 20-1:2521 5.50 (# 2521:20 Double Ambig) &rst ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 441, 442, 463, 465, igr2= 436, 437, 436, 437, 436, 437, &end # # 86 MET HA 91 ASN HB+ 5.50 (# 2522:20 Unique 2.09, 2.64 A) &rst ixpk= 2522, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1330,1331, &end # # 91 ASN HD2+ 91 ASN HB+ 5.50 (# 2523:20 Unique 2.22, 3.12 A) &rst ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1335,1336, igr2=1330,1331, &end # # 91 ASN HD2- 91 ASN HB+ 4.50 (# 2524:20 Unique 2.22, 3.12 A) &rst ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1335,1336, igr2=1330,1331, &end # # 121 TYR HN 120 PHE HB- 5.50 (# 2525:20 Unique 2.76, 3.60 A) &rst ixpk= 2525, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1790,1791, &end # # 121 TYR HD 120 PHE HB- 5.50 (# 2526:20 Unique 2.81, 5.62 A) &rst ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1814,1823, igr2=1790,1791, &end # # 119 GLY HA+ 120 PHE HB- 5.50 (# 2527:20 Unique 4.34, 5.51 A) &rst ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1781,1782, igr2=1790,1791, &end # # 0 AMB 20-2:2528 120 PHE HB- 5.50 (# 2528:20 Single Ambig) &rst ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 181, 182, 188, 189, 190, igr2=1790,1791, &end # # 0 AMB 20-2:2529 72 GLU HG- 5.50 (# 2529:20 Single Ambig) &rst ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2=1027,1028, &end # # 0 AMB 20-2:2530 128 ILE HA 4.50 (# 2530:20 Single Ambig) &rst ixpk= 2530, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1917,1918,1692,1693,1950,1951,1950,1951, &end # # 48 VAL HN 47 ILE HA 4.50 (# 2531:20 Unique 3.60, 3.61 A) &rst ixpk= 2531, nxpk= 20, iat= 642, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2532 0 AMB 20-1:2532 5.50 (# 2532:20 Double Ambig) &rst ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 658,1475, igr2= 625, 670, &end # # 0 AMB 20-2:2534 94 LEU MDX 5.50 (# 2534:20 Single Ambig) &rst ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 589, 590, 898, 899, igr2=1380,1381,1382,1384,1385,1386, &end # # 97 LEU HA 94 LEU MDX 5.50 (# 2535:20 Unique 4.95, 7.35 A) &rst ixpk= 2535, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1380,1381,1382,1384,1385,1386, &end # # 46 ASP HB- 6 LEU MDX 5.50 (# 2536:20 Unique 2.66, 4.50 A) &rst ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 615, 616, igr2= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:2537 6 LEU MDX 5.50 (# 2537:20 Single Ambig) &rst ixpk= 2537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 615, 616, 105, 106, igr2= 91, 92, 93, 95, 96, 97, &end # # 101 LEU HA 101 LEU MDX 4.50 (# 2538:20 Unique 2.19, 3.88 A) &rst ixpk= 2538, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1501,1502,1503,1505,1506,1507, &end # # 136 TYR HB- 139 LEU MDX 4.50 (# 2539:20 Unique 4.40, 6.84 A) &rst ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2052,2053, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:2540 26 CYS HB- 4.50 (# 2540:20 Single Ambig) &rst ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, igr2= 352, 353, &end # # 0 AMB 20-2:2541 0 AMB 20-1:2541 4.50 (# 2541:20 Double Ambig) &rst ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, igr2= 352, 353, 352, 353, &end # # 0 AMB 20-2:2542 26 CYS HB- 5.50 (# 2542:20 Single Ambig) &rst ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 363, 364, 365, 330, 331, 407, 408, 333, 334, igr2= 352, 353, &end # # 23 ALA HA 26 CYS HB- 5.50 (# 2543:20 Unique 2.30, 3.49 A) &rst ixpk= 2543, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 23 ALA HA 26 CYS HB+ 4.50 (# 2544:20 Unique 2.30, 3.49 A) &rst ixpk= 2544, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 352, 353, &end # # 26 CYS HA 26 CYS HB+ 4.50 (# 2545:20 Unique 2.44, 2.78 A) &rst ixpk= 2545, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 352, 353, &end # # 30 PRO HA 26 CYS HB- 5.50 (# 2546:20 Unique 2.58, 3.86 A) &rst ixpk= 2546, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 36 VAL HB 26 CYS HB- 5.50 (# 2547:20 Unique 3.55, 4.52 A) &rst ixpk= 2547, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 36 VAL HB 26 CYS HB+ 5.50 (# 2548:20 Unique 3.55, 4.52 A) &rst ixpk= 2548, nxpk= 20, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 139 LEU MDX 26 CYS HB- 5.50 (# 2549:20 Unique 4.85, 7.41 A) &rst ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2= 352, 353, &end # # 0 AMB 20-2:2550 0 AMB 20-1:2550 5.50 (# 2550:20 Double Ambig) &rst ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1= 330, 331,2119,2120,2121,2123,2124,2125, igr2= 352, 353, 352, 353, &end # # 134 THR HA 137 GLN HB+ 5.50 (# 2551:20 Unique 2.53, 4.62 A) &rst ixpk= 2551, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2073,2074, &end # # 128 ILE HN 127 PRO HB+ 5.50 (# 2552:20 Unique 2.86, 3.72 A) &rst ixpk= 2552, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1917,1918, &end # # 0 AMB 20-2:2553 0 AMB 20-1:2553 5.50 (# 2553:20 Double Ambig) &rst ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67, igr1= 326,2069,2081,2082,2018, igr2= 336, 337, 336, 337, 336, 337, 336, 337, &end # # 0 AMB 20-2:2554 25 LYS HD- 5.50 (# 2554:20 Single Ambig) &rst ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 326,2081,2082, igr2= 336, 337, &end # # 98 ILE HN 98 ILE HG1+ 4.50 (# 2555:20 Unique 2.14, 3.06 A) &rst ixpk= 2555, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1454,1455, &end # # 0 AMB 20-2:2556 0 AMB 20-1:2556 4.50 (# 2556:20 Double Ambig) &rst ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2081,2082,2099, igr2=2076,2077,2076,2077, &end # # 0 AMB 20-2:2557 137 GLN HG- 4.50 (# 2557:20 Single Ambig) &rst ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2081,2082,2099, igr2=2076,2077, &end # # 134 THR HA 137 GLN HG+ 5.50 (# 2558:20 Unique 2.09, 2.90 A) &rst ixpk= 2558, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2076,2077, &end # # 134 THR HA 137 GLN HG- 5.50 (# 2559:20 Unique 2.09, 2.90 A) &rst ixpk= 2559, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2076,2077, &end # # 136 TYR HB+ 137 GLN HG+ 5.50 (# 2560:20 Unique 4.23, 6.13 A) &rst ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2=2076,2077, &end # # 136 TYR HB+ 137 GLN HG- 5.50 (# 2561:20 Unique 4.23, 6.13 A) &rst ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2=2076,2077, &end # # 87 MET HN 87 MET HG+ 4.50 (# 2562:20 Unique 2.07, 4.30 A) &rst ixpk= 2562, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1271,1272, &end # # 88 THR MG2 87 MET HG- 4.50 (# 2564:20 Unique 4.14, 6.45 A) &rst ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1287,1288,1289, igr2=1271,1272, &end # # 90 HIS HB- 86 MET HB- 5.50 (# 2565:20 Unique 3.42, 5.82 A) &rst ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1313,1314, igr2=1251,1252, &end # # 0 AMB 20-2:2567 0 AMB 20-1:2567 4.50 (# 2567:20 Double Ambig) &rst ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 153, 154,1358,1359, igr2= 167, 168,1251,1252, &end # # 121 TYR HA 12 MET HG- 5.50 (# 2568:20 Unique 4.46, 5.31 A) &rst ixpk= 2568, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 167, 168, &end # # 0 AMB 20-2:2569 0 AMB 20-1:2569 2.80 (# 2569:20 Double Ambig) &rst ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1266, 162, igr2=1271,1272, 167, 168, &end # # 0 AMB 20-2:2570 0 AMB 20-1:2570 5.50 (# 2570:20 Double Ambig) &rst ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1794,1802,1322, igr2= 167, 168,1251,1252, &end # # 12 MET HN 12 MET HG- 4.50 (# 2572:20 Unique 1.94, 2.33 A) &rst ixpk= 2572, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 167, 168, &end # # 30 PRO HD- 30 PRO HB+ 4.50 (# 2573:20 Unique 2.83, 3.70 A) &rst ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 390, 391, igr2= 396, 397, &end # # 75 ILE HN 150 GLN HG+ 5.50 (# 2574:20 Unique 4.01, 4.90 A) &rst ixpk= 2574, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2262,2263, &end # # 126 GLN HN 0 AMB 20-1:2575 5.50 (# 2575:20 Single Ambig) &rst ixpk= 2575, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1900,1901,1900,1901, &end # # 70 PRO HD+ 70 PRO HB- 5.50 (# 2576:20 Unique 2.73, 3.69 A) &rst ixpk= 2576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1000,1001, igr2=1006,1007, &end # # 57 ARG HD- 57 ARG HB+ 5.50 (# 2578:20 Unique 2.29, 3.27 A) &rst ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 807, 808, igr2= 801, 802, &end # # 57 ARG HD+ 57 ARG HB+ 5.50 (# 2579:20 Unique 2.29, 3.27 A) &rst ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 807, 808, igr2= 801, 802, &end # # 57 ARG HN 57 ARG HB+ 5.50 (# 2580:20 Unique 2.71, 3.29 A) &rst ixpk= 2580, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 801, 802, &end # # 58 LEU HN 57 ARG HB+ 4.50 (# 2581:20 Unique 2.24, 3.33 A) &rst ixpk= 2581, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 801, 802, &end # # 114 GLN HE2- 114 GLN HG+ 3.50 (# 2582:20 Unique 2.23, 3.28 A) &rst ixpk= 2582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1713,1714, igr2=1708,1709, &end # # 57 ARG HE 57 ARG HB- 4.50 (# 2583:20 Unique 1.85, 2.57 A) &rst ixpk= 2583, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 801, 802, &end # # 57 ARG HN 57 ARG HB- 4.50 (# 2584:20 Unique 2.71, 3.29 A) &rst ixpk= 2584, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 801, 802, &end # # 58 LEU HN 57 ARG HB- 5.50 (# 2585:20 Unique 2.24, 3.33 A) &rst ixpk= 2585, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 801, 802, &end # # 5 LEU MDY 61 VAL HB 5.50 (# 2586:20 Unique 3.43, 5.34 A) &rst ixpk= 2586, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 124 MET HA 124 MET HB- 4.50 (# 2587:20 Unique 2.46, 2.77 A) &rst ixpk= 2587, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1866,1867, &end # # 7 CYS HA 61 VAL HB 4.50 (# 2588:20 Unique 2.96, 3.14 A) &rst ixpk= 2588, nxpk= 20, iat= 103, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2590 115 PRO HB- 5.50 (# 2590:20 Single Ambig) &rst ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 217, 218,1869,1870, igr2=1725,1726, &end # # 115 PRO HD- 115 PRO HB- 5.50 (# 2591:20 Unique 2.69, 3.67 A) &rst ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, igr2=1725,1726, &end # # 115 PRO HD+ 115 PRO HB- 5.50 (# 2592:20 Unique 2.69, 3.67 A) &rst ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, igr2=1725,1726, &end # # 115 PRO HA 115 PRO HB- 4.50 (# 2593:20 Unique 2.31, 2.53 A) &rst ixpk= 2593, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1725,1726, &end # # 8 VAL HA 8 VAL HB 4.50 (# 2594:20 Unique 3.03, 3.05 A) &rst ixpk= 2594, nxpk= 20, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 VAL HA 4 VAL HB 4.50 (# 2595:20 Unique 2.55, 3.00 A) &rst ixpk= 2595, nxpk= 20, iat= 49, 51, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HA 4 VAL HB 5.50 (# 2596:20 Unique 2.59, 2.99 A) &rst ixpk= 2596, nxpk= 20, iat= 823, 51, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2597 0 AMB 20-1:2597 5.50 (# 2597:20 Double Ambig) &rst ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 542, 543, 770, 771, 448, igr2= 116, 51, &end # # 62 ASP HB- 8 VAL HB 4.50 (# 2598:20 Unique 2.06, 2.92 A) &rst ixpk= 2598, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 898, 899, &end # # 62 ASP HB+ 8 VAL HB 4.50 (# 2599:20 Unique 2.06, 2.92 A) &rst ixpk= 2599, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 898, 899, &end # # 0 AMB 20-2:2600 25 LYS HB- 5.50 (# 2600:20 Single Ambig) &rst ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 339, 340, 339, 340, 416, 417,2010,2011, igr2= 330, 331, &end # # 26 CYS HN 25 LYS HB- 4.50 (# 2601:20 Unique 2.49, 3.09 A) &rst ixpk= 2601, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 330, 331, &end # # 25 LYS HN 25 LYS HB- 4.50 (# 2602:20 Unique 2.48, 3.08 A) &rst ixpk= 2602, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 330, 331, &end # # 0 AMB 20-2:2603 102 LYS HB- 5.50 (# 2603:20 Single Ambig) &rst ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1524,1525,1524,1525, igr2=1515,1516, &end # # 10 ASN HB+ 13 MET HB- 4.50 (# 2604:20 Unique 2.33, 3.42 A) &rst ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 139, 140, igr2= 181, 182, &end # # 129 LYS HN 129 LYS HB- 4.50 (# 2605:20 Unique 2.08, 3.02 A) &rst ixpk= 2605, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1947,1948, &end # # 130 ASP HN 129 LYS HB- 5.50 (# 2606:20 Unique 2.36, 2.90 A) &rst ixpk= 2606, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1947,1948, &end # # 144 GLY HN 143 GLU HB- 5.50 (# 2607:20 Unique 3.03, 4.22 A) &rst ixpk= 2607, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2179,2180, &end # # 57 ARG HD- 57 ARG HB- 4.50 (# 2608:20 Unique 2.29, 3.27 A) &rst ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 807, 808, igr2= 801, 802, &end # # 57 ARG HD+ 57 ARG HB- 5.50 (# 2609:20 Unique 2.29, 3.27 A) &rst ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 807, 808, igr2= 801, 802, &end # # 100 GLN HE2- 100 GLN HG+ 4.50 (# 2610:20 Unique 2.03, 3.45 A) &rst ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1487,1488, igr2=1482,1483, &end # # 100 GLN HE2+ 100 GLN HG- 5.50 (# 2611:20 Unique 2.03, 3.45 A) &rst ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1487,1488, igr2=1482,1483, &end # # 100 GLN HE2+ 100 GLN HG+ 5.50 (# 2612:20 Unique 2.03, 3.45 A) &rst ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1487,1488, igr2=1482,1483, &end # # 13 MET HA 13 MET HB+ 4.50 (# 2613:20 Unique 2.48, 2.79 A) &rst ixpk= 2613, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 181, 182, &end # # 56 THR HN 55 PRO HB- 5.50 (# 2615:20 Unique 2.96, 3.40 A) &rst ixpk= 2615, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 776, 777, &end # # 121 TYR HN 13 MET HB- 5.50 (# 2616:20 Unique 4.74, 5.44 A) &rst ixpk= 2616, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 181, 182, &end # # 0 AMB 20-2:2617 0 AMB 20-1:2617 5.50 (# 2617:20 Double Ambig) &rst ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 160, 225,1987,1786, igr2= 181, 182,1947,1948, &end # # 0 AMB 20-2:2618 0 AMB 20-1:2618 5.50 (# 2618:20 Double Ambig) &rst ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2081,2082,2018, igr2=2010,2011,2010,2011, &end # # 0 AMB 20-2:2619 133 GLU HG- 5.50 (# 2619:20 Single Ambig) &rst ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2081,2082,2018, igr2=2010,2011, &end # # 133 GLU HN 133 GLU HG+ 5.50 (# 2620:20 Unique 4.13, 4.24 A) &rst ixpk= 2620, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 133 GLU HN 133 GLU HG- 5.50 (# 2621:20 Unique 4.13, 4.24 A) &rst ixpk= 2621, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 133 GLU HA 133 GLU HG+ 5.50 (# 2622:20 Unique 2.23, 2.96 A) &rst ixpk= 2622, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 130 ASP HA 133 GLU HG- 5.50 (# 2623:20 Unique 3.55, 4.72 A) &rst ixpk= 2623, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 0 AMB 20-2:2624 0 AMB 20-1:2624 4.50 (# 2624:20 Double Ambig) &rst ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1099,2247, igr2=2262,2263,2262,2263, &end # # 137 GLN HG- 133 GLU HG- 4.50 (# 2625:20 Unique 3.01, 5.71 A) &rst ixpk= 2625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2076,2077, igr2=2010,2011, &end # # 121 TYR HN 121 TYR HB- 5.50 (# 2626:20 Unique 3.08, 3.70 A) &rst ixpk= 2626, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1810,1811, &end # # 25 LYS HB+ 24 GLU HG- 4.50 (# 2627:20 Unique 5.18, 5.98 A) &rst ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 330, 331, igr2= 318, 319, &end # # 124 MET HG+ 128 ILE HG1- 5.50 (# 2628:20 Unique 4.03, 5.06 A) &rst ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1869,1870, igr2=1934,1935, &end # # 0 AMB 20-2:2629 128 ILE HG1- 5.50 (# 2629:20 Single Ambig) &rst ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1928,1705,1706, igr2=1934,1935, &end # # 128 ILE HA 128 ILE HG1- 5.50 (# 2630:20 Unique 2.37, 3.06 A) &rst ixpk= 2630, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 115 PRO HA 128 ILE HG1- 5.50 (# 2631:20 Unique 2.06, 2.59 A) &rst ixpk= 2631, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 0 AMB 20-2:2632 74 ARG HB- 5.50 (# 2632:20 Single Ambig) &rst ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2257,1037,1080, igr2=1058,1059, &end # # 151 LEU HA 74 ARG HB- 5.50 (# 2633:20 Unique 2.90, 3.80 A) &rst ixpk= 2633, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1058,1059, &end # # 0 AMB 20-2:2634 0 AMB 20-1:2634 5.50 (# 2634:20 Double Ambig) &rst ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 179,1056, igr2= 184, 185,1058,1059, &end # # 0 AMB 20-2:2635 0 AMB 20-1:2635 5.50 (# 2635:20 Double Ambig) &rst ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1064,1065,1781,1782, igr2=1058,1059, 184, 185, &end # # 0 AMB 20-2:2636 0 AMB 20-1:2636 5.50 (# 2636:20 Double Ambig) &rst ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1064,1065, 217, 218, igr2=1058,1059, 184, 185, &end # # 0 AMB 20-2:2637 0 AMB 20-1:2637 5.50 (# 2637:20 Double Ambig) &rst ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1064,1065, 217, 218, igr2=1058,1059, 184, 185, &end # # 74 ARG HG+ 74 ARG HB- 5.50 (# 2638:20 Unique 2.31, 2.60 A) &rst ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1061,1062, igr2=1058,1059, &end # # 124 MET HG+ 128 ILE HG1+ 5.50 (# 2639:20 Unique 4.03, 5.06 A) &rst ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1869,1870, igr2=1934,1935, &end # # 128 ILE HA 128 ILE HG1+ 5.50 (# 2640:20 Unique 2.37, 3.06 A) &rst ixpk= 2640, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 115 PRO HA 128 ILE HG1+ 5.50 (# 2641:20 Unique 2.06, 2.59 A) &rst ixpk= 2641, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 0 AMB 20-2:2642 0 AMB 20-1:2642 5.50 (# 2642:20 Double Ambig) &rst ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1064,1065,1781,1782, igr2=1058,1059, 184, 185, &end # # 0 AMB 20-2:2643 0 AMB 20-1:2643 5.50 (# 2643:20 Double Ambig) &rst ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 179,1056, igr2= 184, 185,1058,1059, &end # # 75 ILE HN 74 ARG HB+ 5.50 (# 2644:20 Unique 2.68, 3.40 A) &rst ixpk= 2644, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1058,1059, &end # # 75 ILE HN 74 ARG HB- 5.50 (# 2645:20 Unique 2.68, 3.40 A) &rst ixpk= 2645, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1058,1059, &end # # 0 AMB 20-2:2646 0 AMB 20-1:2646 5.50 (# 2646:20 Double Ambig) &rst ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2272,1054, igr2=1058,1059,1058,1059, &end # # 0 AMB 20-2:2647 74 ARG HB- 5.50 (# 2647:20 Single Ambig) &rst ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2272,1054, igr2=1058,1059, &end # # 0 AMB 20-2:2648 0 AMB 20-1:2648 4.50 (# 2648:20 Double Ambig) &rst ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1926, 328, igr2=1928, 318, 319, &end # # 0 AMB 20-2:2649 0 AMB 20-1:2649 5.50 (# 2649:20 Double Ambig) &rst ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1586,1166, igr2=1593,1594,1202,1203, &end # # 129 LYS HN 128 ILE HB 5.50 (# 2650:20 Unique 2.74, 2.90 A) &rst ixpk= 2650, nxpk= 20, iat=1943,1928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2651 0 AMB 20-1:2651 5.50 (# 2651:20 Double Ambig) &rst ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1586,1560, igr2=1593,1594,1540,1541, &end # # 53 LEU HN 52 GLU HG+ 5.50 (# 2652:20 Unique 2.66, 4.96 A) &rst ixpk= 2652, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 718, 719, &end # # 141 GLY HN 0 AMB 20-1:2653 5.50 (# 2653:20 Single Ambig) &rst ixpk= 2653, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=2136,2137,2182,2183, &end # # 58 LEU HN 107 GLU HG- 5.50 (# 2654:20 Unique 4.06, 5.10 A) &rst ixpk= 2654, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1593,1594, &end # # 32 GLY HN 140 GLU HG- 5.50 (# 2655:20 Unique 1.71, 4.22 A) &rst ixpk= 2655, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2136,2137, &end # # 95 ASN HN 95 ASN HB- 4.50 (# 2657:20 Unique 2.24, 2.93 A) &rst ixpk= 2657, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1394,1395, &end # # 122 TYR HD 122 TYR HB- 4.50 (# 2658:20 Unique 2.30, 3.11 A) &rst ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1835,1844, igr2=1831,1832, &end # # 0 AMB 20-2:2659 0 AMB 20-1:2659 5.50 (# 2659:20 Double Ambig) &rst ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1399,1400,1779, igr2=1394,1395,1831,1832, &end # # 0 AMB 20-2:2660 122 TYR HB- 5.50 (# 2660:20 Single Ambig) &rst ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1849,1850,1781,1782, igr2=1831,1832, &end # # 0 AMB 20-2:2661 0 AMB 20-1:2661 4.50 (# 2661:20 Double Ambig) &rst ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, igr1=2010,2011, 339, 340, 339, 340, 416, 417, igr2=2052,2053,2052,2053,2052,2053,2052,2053, &end # # 119 GLY HA+ 120 PHE HB+ 5.50 (# 2662:20 Unique 4.34, 5.51 A) &rst ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1781,1782, igr2=1790,1791, &end # # 0 AMB 20-2:2663 0 AMB 20-1:2663 5.50 (# 2663:20 Double Ambig) &rst ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1335,1336,1814,1823, igr2=1330,1331,1790,1791, &end # # 91 ASN HD2- 91 ASN HB- 4.50 (# 2664:20 Unique 2.22, 3.12 A) &rst ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1335,1336, igr2=1330,1331, &end # # 121 TYR HN 120 PHE HB+ 5.50 (# 2665:20 Unique 2.76, 3.60 A) &rst ixpk= 2665, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1790,1791, &end # # 13 MET ME 120 PHE HB+ 5.50 (# 2666:20 Unique 4.89, 7.30 A) &rst ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 188, 189, 190, igr2=1790,1791, &end # # 73 ILE HN 72 GLU HG- 5.50 (# 2667:20 Unique 4.71, 5.18 A) &rst ixpk= 2667, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1027,1028, &end # # 69 ASN HN 72 GLU HG- 5.50 (# 2668:20 Unique 2.11, 2.84 A) &rst ixpk= 2668, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1027,1028, &end # # 33 ASN HN 33 ASN HB- 5.50 (# 2669:20 Unique 2.86, 3.33 A) &rst ixpk= 2669, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 436, 437, &end # # 0 AMB 20-2:2670 33 ASN HB- 5.50 (# 2670:20 Single Ambig) &rst ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 441, 442, 463, 465, igr2= 436, 437, &end # # 34 TRP HN 33 ASN HB- 5.50 (# 2671:20 Unique 3.87, 4.60 A) &rst ixpk= 2671, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 436, 437, &end # # 44 GLU HA 44 GLU HB+ 2.80 (# 2672:20 Unique 2.21, 2.41 A) &rst ixpk= 2672, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 586, 587, &end # # 68 LEU HB- 72 GLU HG- 5.50 (# 2673:20 Unique 2.25, 3.31 A) &rst ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 970, 971, igr2=1027,1028, &end # # 68 LEU HB+ 72 GLU HG- 4.50 (# 2674:20 Unique 2.25, 3.31 A) &rst ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 970, 971, igr2=1027,1028, &end # # 117 ILE QD1 122 TYR HB+ 4.50 (# 2675:20 Unique 2.21, 3.11 A) &rst ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1757,1758,1759, igr2=1831,1832, &end # # 98 ILE HA 98 ILE HB 4.50 (# 2676:20 Unique 3.00, 3.03 A) &rst ixpk= 2676, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2677 0 AMB 20-1:2677 5.50 (# 2677:20 Double Ambig) &rst ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 613,1118, igr2= 627, 672,1448, &end # # 0 AMB 20-2:2678 0 AMB 20-1:2678 5.50 (# 2678:20 Double Ambig) &rst ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 658,1475,1492, igr2= 672, 627,1448, &end # # 140 GLU HN 31 LYS HB- 5.50 (# 2679:20 Unique 2.28, 3.48 A) &rst ixpk= 2679, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 31 LYS HN 31 LYS HB- 5.50 (# 2680:20 Unique 2.24, 3.07 A) &rst ixpk= 2680, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 32 GLY HN 31 LYS HB- 5.50 (# 2681:20 Unique 1.85, 3.03 A) &rst ixpk= 2681, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 31 LYS HN 31 LYS HB+ 4.50 (# 2682:20 Unique 2.24, 3.07 A) &rst ixpk= 2682, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 407, 408, &end # # 95 ASN HD2+ 95 ASN HB+ 5.50 (# 2683:20 Unique 2.60, 3.62 A) &rst ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1399,1400, igr2=1394,1395, &end # # 122 TYR HD 122 TYR HB+ 4.50 (# 2684:20 Unique 2.30, 3.11 A) &rst ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1835,1844, igr2=1831,1832, &end # # 120 PHE HA 122 TYR HB+ 5.50 (# 2685:20 Unique 4.68, 5.58 A) &rst ixpk= 2685, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1831,1832, &end # # 123 PRO HD+ 122 TYR HB+ 4.50 (# 2686:20 Unique 2.33, 3.76 A) &rst ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1849,1850, igr2=1831,1832, &end # # 0 AMB 20-2:2687 0 AMB 20-1:2687 3.50 (# 2687:20 Double Ambig) &rst ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1849,1850,1781,1782, igr2=1831,1832,1831,1832, &end # # 0 AMB 20-2:2688 0 AMB 20-1:2688 5.50 (# 2688:20 Double Ambig) &rst ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 994, 995, 994, 995, igr2= 989, 990, 989, 990, &end # # 52 GLU HN 52 GLU HG+ 3.50 (# 2689:20 Unique 2.75, 3.39 A) &rst ixpk= 2689, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 718, 719, &end # # 49 ALA MB 52 GLU HG- 5.50 (# 2690:20 Unique 4.11, 6.07 A) &rst ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 662, 663, 664, igr2= 718, 719, &end # # 0 AMB 20-2:2691 0 AMB 20-1:2691 4.50 (# 2691:20 Double Ambig) &rst ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 970, 971, 970, 971, igr2= 989, 990, 989, 990, &end # # 0 AMB 20-2:2692 0 AMB 20-1:2692 5.50 (# 2692:20 Double Ambig) &rst ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 989, 990, 989, 990, 989, 990, &end # # 81 ILE QG2 95 ASN HB+ 4.50 (# 2693:20 Unique 2.24, 3.85 A) &rst ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1172,1173,1174, igr2=1394,1395, &end # # 117 ILE QD1 122 TYR HB- 4.50 (# 2694:20 Unique 2.21, 3.11 A) &rst ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1757,1758,1759, igr2=1831,1832, &end # # 0 AMB 20-2:2695 0 AMB 20-1:2695 5.50 (# 2695:20 Double Ambig) &rst ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2133,2134,2117, igr2= 407, 408, 407, 408, &end # # 0 AMB 20-2:2696 31 LYS HB- 4.50 (# 2696:20 Single Ambig) &rst ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2133,2134,2117, igr2= 407, 408, &end # # 139 LEU MDX 31 LYS HB+ 4.50 (# 2697:20 Unique 2.57, 5.20 A) &rst ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2119,2120,2121,2123,2124,2125, igr2= 407, 408, &end # # 139 LEU MDX 31 LYS HB- 5.50 (# 2698:20 Unique 2.57, 5.20 A) &rst ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2= 407, 408, &end # # 78 PRO HA 81 ILE HB 4.50 (# 2699:20 Unique 2.09, 2.20 A) &rst ixpk= 2699, nxpk= 20, iat=1138,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2700 81 ILE HB 5.50 (# 2700:20 Single Ambig) &rst ixpk= 2700, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1158,1159,1146,1147, &end # # 150 GLN HG+ 75 ILE HB 5.50 (# 2701:20 Unique 2.12, 2.99 A) &rst ixpk= 2701, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2262,2263, &end # # 110 PHE HB- 76 ILE HB 4.50 (# 2703:20 Unique 2.29, 3.40 A) &rst ixpk= 2703, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 110 PHE HB+ 76 ILE HB 4.50 (# 2704:20 Unique 2.29, 3.40 A) &rst ixpk= 2704, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 102 LYS HA 105 ILE HB 4.50 (# 2705:20 Unique 2.76, 3.14 A) &rst ixpk= 2705, nxpk= 20, iat=1513,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2706 0 AMB 20-1:2706 4.50 (# 2706:20 Double Ambig) &rst ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1603,1080, igr2=1564,1101, &end # # 110 PHE HD 76 ILE HB 4.50 (# 2707:20 Unique 3.07, 4.66 A) &rst ixpk= 2707, nxpk= 20, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1644,1652, &end # # 104 ASP HN 105 ILE HB 5.50 (# 2708:20 Unique 3.85, 4.12 A) &rst ixpk= 2708, nxpk= 20, iat=1548,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 GLY HN 105 ILE HB 5.50 (# 2709:20 Unique 3.87, 4.00 A) &rst ixpk= 2709, nxpk= 20, iat=1579,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 LEU HA 22 LEU HB- 4.50 (# 2710:20 Unique 2.20, 2.53 A) &rst ixpk= 2710, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 286, 287, &end # # 0 AMB 20-2:2711 22 LEU HB- 3.50 (# 2711:20 Single Ambig) &rst ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 289, 330, 331, igr2= 286, 287, &end # # 0 AMB 20-2:2712 37 ILE HB 5.50 (# 2712:20 Single Ambig) &rst ixpk= 2712, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 101, 521, &end # # 110 PHE HD 60 ILE HB 4.50 (# 2713:20 Unique 2.48, 3.62 A) &rst ixpk= 2713, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1644,1652, &end # # 36 VAL HA 37 ILE HB 5.50 (# 2714:20 Unique 4.20, 4.52 A) &rst ixpk= 2714, nxpk= 20, iat= 488, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HA 37 ILE HB 4.50 (# 2715:20 Unique 3.03, 3.04 A) &rst ixpk= 2715, nxpk= 20, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 110 PHE HB- 60 ILE HB 5.50 (# 2716:20 Unique 3.18, 3.91 A) &rst ixpk= 2716, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1640,1641, &end # # 109 ILE HA 109 ILE HB 4.50 (# 2717:20 Unique 3.02, 3.04 A) &rst ixpk= 2717, nxpk= 20, iat=1619,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:2718 109 ILE HB 4.50 (# 2718:20 Single Ambig) &rst ixpk= 2718, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1638,1603,2199,1080, &end # # 60 ILE HN 109 ILE HB 5.50 (# 2719:20 Unique 3.44, 3.65 A) &rst ixpk= 2719, nxpk= 20, iat= 859,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 LEU HA 21 LEU HB+ 4.50 (# 2720:20 Unique 2.39, 2.72 A) &rst ixpk= 2720, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 267, 268, &end # # 0 AMB 20-2:2721 0 AMB 20-1:2721 5.50 (# 2721:20 Double Ambig) &rst ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 234, 227, 228, 227, 228, igr2= 267, 268, 267, 268, 267, 268, &end # # 139 LEU MDY 139 LEU HB+ 4.50 (# 2722:20 Unique 2.32, 3.51 A) &rst ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2119,2120,2121,2123,2124,2125, igr2=2114,2115, &end # # 0 AMB 20-2:2723 0 AMB 20-1:2723 5.50 (# 2723:20 Double Ambig) &rst ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 450, 451, 352, 353, igr2=2114,2115,2114,2115, &end # # 139 LEU HA 139 LEU HB+ 4.50 (# 2724:20 Unique 2.13, 2.79 A) &rst ixpk= 2724, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2114,2115, &end # # 34 TRP HD1 139 LEU HB+ 5.50 (# 2725:20 Unique 2.06, 3.51 A) &rst ixpk= 2725, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 140 GLU HN 139 LEU HB+ 5.50 (# 2726:20 Unique 2.40, 3.02 A) &rst ixpk= 2726, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 139 LEU MDY 139 LEU HB- 4.50 (# 2727:20 Unique 2.32, 3.51 A) &rst ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2119,2120,2121,2123,2124,2125, igr2=2114,2115, &end # # 139 LEU HG 139 LEU HB- 4.50 (# 2728:20 Unique 2.19, 2.41 A) &rst ixpk= 2728, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2114,2115, &end # # 0 AMB 20-2:2729 139 LEU HB- 5.50 (# 2729:20 Single Ambig) &rst ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 450, 451, 352, 353, igr2=2114,2115, &end # # 139 LEU HA 139 LEU HB- 4.50 (# 2730:20 Unique 2.13, 2.79 A) &rst ixpk= 2730, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2114,2115, &end # # 139 LEU HN 139 LEU HB- 4.50 (# 2731:20 Unique 2.20, 2.99 A) &rst ixpk= 2731, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2114,2115, &end # # 34 TRP HD1 139 LEU HB- 5.50 (# 2732:20 Unique 2.06, 3.51 A) &rst ixpk= 2732, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 140 GLU HN 139 LEU HB- 5.50 (# 2733:20 Unique 2.40, 3.02 A) &rst ixpk= 2733, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 34 TRP HE1 139 LEU HB- 5.50 (# 2734:20 Unique 2.21, 3.88 A) &rst ixpk= 2734, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 0 AMB 20-2:2735 21 LEU HB- 5.50 (# 2735:20 Single Ambig) &rst ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 256, 257, 339, 340, 339, 340, igr2= 267, 268, &end # # 0 AMB 20-2:2736 21 LEU HB- 5.50 (# 2736:20 Single Ambig) &rst ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 234, 227, 228, 227, 228, igr2= 267, 268, &end # # 73 ILE HA 73 ILE HB 4.50 (# 2737:20 Unique 3.04, 3.05 A) &rst ixpk= 2737, nxpk= 20, iat=1037,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 148 PHE HD 73 ILE HB 5.50 (# 2738:20 Unique 2.47, 4.36 A) &rst ixpk= 2738, nxpk= 20, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2233,2241, &end # # 98 ILE HN 97 LEU HB+ 5.50 (# 2742:20 Unique 2.17, 3.33 A) &rst ixpk= 2742, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1429,1430, &end # # 3 ASP HA 3 ASP HB+ 4.50 (# 2743:20 Unique 2.50, 2.84 A) &rst ixpk= 2743, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 39, 40, &end # # 0 AMB 20-2:2746 38 ASP HB- 4.50 (# 2746:20 Single Ambig) &rst ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 492, 493, 494, 496, 497, 498, 91, 92, 93, 95, 96, 97, igr2= 525, 526, &end # # 37 ILE HA 38 ASP HB- 5.50 (# 2747:20 Unique 4.18, 4.60 A) &rst ixpk= 2747, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 525, 526, &end # # 0 AMB 20-2:2748 0 AMB 20-1:2748 2.80 (# 2748:20 Double Ambig) &rst ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297,2038,2039,2040,2042,2043,2044, igr2= 286, 287, 286, 287, 286, 287, &end # # 0 AMB 20-2:2749 0 AMB 20-1:2749 3.50 (# 2749:20 Double Ambig) &rst ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1=1993,1994,1995,1997,1998,1999, 291, 292, 293, 295, 296, 297, igr2= 286, 287, 286, 287, &end # # 0 AMB 20-2:2751 0 AMB 20-1:2751 2.80 (# 2751:20 Double Ambig) &rst ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=1101, 289,1107,1108, igr2=1640,1641, 286, 287, &end # # 110 PHE HD 110 PHE HB- 4.50 (# 2752:20 Unique 2.30, 3.09 A) &rst ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1644,1652, igr2=1640,1641, &end # # 110 PHE HN 110 PHE HB- 4.50 (# 2753:20 Unique 2.63, 2.86 A) &rst ixpk= 2753, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1640,1641, &end # # 149 ALA HN 148 PHE HB+ 4.50 (# 2754:20 Unique 2.19, 3.25 A) &rst ixpk= 2754, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2229,2230, &end # # 149 ALA HN 148 PHE HB- 4.50 (# 2755:20 Unique 2.19, 3.25 A) &rst ixpk= 2755, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2229,2230, &end # # 148 PHE HN 148 PHE HB+ 3.50 (# 2756:20 Unique 2.24, 2.91 A) &rst ixpk= 2756, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2229,2230, &end # # 0 AMB 20-2:2757 0 AMB 20-1:2757 5.50 (# 2757:20 Double Ambig) &rst ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1394,1395,1467,1468, 615, 616, igr2=1448, 672, &end # # 97 LEU HA 0 AMB 20-1:2758 5.50 (# 2758:20 Single Ambig) &rst ixpk= 2758, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 627,1448, &end # # 3 ASP HN 3 ASP HB- 4.50 (# 2759:20 Unique 2.20, 2.93 A) &rst ixpk= 2759, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 39, 40, &end # # 35 VAL HN 3 ASP HB- 5.50 (# 2760:20 Unique 3.61, 4.16 A) &rst ixpk= 2760, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 39, 40, &end # # 113 ILE HA 113 ILE HB 5.50 (# 2761:20 Unique 3.03, 3.04 A) &rst ixpk= 2761, nxpk= 20, iat=1684,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:2762 53 LEU HB- 5.50 (# 2762:20 Single Ambig) &rst ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 770, 771, 670, igr2= 730, 731, &end # # 68 LEU HA 68 LEU HB- 4.50 (# 2763:20 Unique 2.43, 2.76 A) &rst ixpk= 2763, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 970, 971, &end # # 72 GLU HG+ 68 LEU HB+ 5.50 (# 2764:20 Unique 2.25, 3.31 A) &rst ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, igr2= 970, 971, &end # # 72 GLU HG+ 68 LEU HB- 5.50 (# 2765:20 Unique 2.25, 3.31 A) &rst ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1027,1028, igr2= 970, 971, &end # # 68 LEU HN 68 LEU HB+ 5.50 (# 2766:20 Unique 2.37, 3.04 A) &rst ixpk= 2766, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 970, 971, &end # # 68 LEU HN 68 LEU HB- 4.50 (# 2767:20 Unique 2.37, 3.04 A) &rst ixpk= 2767, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 970, 971, &end # # 102 LYS HN 101 LEU HB- 5.50 (# 2768:20 Unique 2.43, 3.18 A) &rst ixpk= 2768, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1496,1497, &end # # 101 LEU HA 101 LEU HB- 4.50 (# 2769:20 Unique 2.37, 2.75 A) &rst ixpk= 2769, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1496,1497, &end # # 98 ILE HA 101 LEU HB- 5.50 (# 2770:20 Unique 2.50, 3.62 A) &rst ixpk= 2770, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1496,1497, &end # # 0 AMB 20-2:2771 0 AMB 20-1:2771 5.50 (# 2771:20 Double Ambig) &rst ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 770, 771, 670, igr2= 730, 731, 730, 731, &end # # 0 AMB 20-2:2772 0 AMB 20-1:2772 5.50 (# 2772:20 Double Ambig) &rst ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 755, 756, 755, 756, igr2= 730, 731, 730, 731, &end # # 54 ARG HN 53 LEU HB+ 5.50 (# 2773:20 Unique 2.80, 3.66 A) &rst ixpk= 2773, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 730, 731, &end # # 116 ASP HN 116 ASP HB- 4.50 (# 2774:20 Unique 2.66, 3.02 A) &rst ixpk= 2774, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1736,1737, &end # # 117 ILE HN 116 ASP HB- 4.50 (# 2775:20 Unique 2.53, 3.45 A) &rst ixpk= 2775, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1736,1737, &end # # 62 ASP HN 62 ASP HB+ 4.50 (# 2776:20 Unique 3.01, 3.27 A) &rst ixpk= 2776, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 898, 899, &end # # 62 ASP HN 62 ASP HB- 5.50 (# 2777:20 Unique 3.01, 3.27 A) &rst ixpk= 2777, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 898, 899, &end # # 85 PHE HD 62 ASP HB- 5.50 (# 2778:20 Unique 4.72, 7.00 A) &rst ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1235,1243, igr2= 898, 899, &end # # 18 ALA HN 62 ASP HB- 5.50 (# 2779:20 Unique 6.03, 6.26 A) &rst ixpk= 2779, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 898, 899, &end # # 18 ALA HN 62 ASP HB+ 5.50 (# 2780:20 Unique 6.03, 6.26 A) &rst ixpk= 2780, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 898, 899, &end # # 0 AMB 20-2:2781 0 AMB 20-1:2781 4.50 (# 2781:20 Double Ambig) &rst ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 758,1235,1243, igr2=1552,1553, 898, 899, &end # # 105 ILE HN 104 ASP HB+ 4.50 (# 2782:20 Unique 2.62, 3.52 A) &rst ixpk= 2782, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1552,1553, &end # # 74 ARG HE 74 ARG HD+ 4.50 (# 2784:20 Unique 2.24, 2.62 A) &rst ixpk= 2784, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1064,1065, &end # # 10 ASN HN 16 ASP HB+ 5.50 (# 2785:20 Unique 2.98, 3.96 A) &rst ixpk= 2785, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 217, 218, &end # # 0 AMB 20-2:2786 0 AMB 20-1:2786 5.50 (# 2786:20 Double Ambig) &rst ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 225, 160, igr2= 217, 218, 217, 218, &end # # 0 AMB 20-2:2787 104 ASP HB- 5.50 (# 2787:20 Single Ambig) &rst ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1537,1538, 691, 692, 691, 692, 749, 750, igr2=1552,1553, &end # # 0 AMB 20-2:2788 104 ASP HB- 5.50 (# 2788:20 Single Ambig) &rst ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1570,1571, 694, 695, igr2=1552,1553, &end # # 0 AMB 20-2:2789 104 ASP HB- 5.50 (# 2789:20 Single Ambig) &rst ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1501,1502,1503,1505,1506,1507,1573,1574,1575, igr2=1552,1553, &end # # 105 ILE HN 104 ASP HB- 5.50 (# 2790:20 Unique 2.62, 3.52 A) &rst ixpk= 2790, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1552,1553, &end # # 116 ASP HN 116 ASP HB+ 4.50 (# 2791:20 Unique 2.66, 3.02 A) &rst ixpk= 2791, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1736,1737, &end # # 54 ARG HN 0 AMB 20-1:2792 5.50 (# 2792:20 Single Ambig) &rst ixpk= 2792, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 755, 756, 755, 756, &end # # 48 VAL HA 51 ARG HD+ 5.50 (# 2793:20 Unique 2.52, 3.52 A) &rst ixpk= 2793, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 48 VAL HA 51 ARG HD- 5.50 (# 2794:20 Unique 2.52, 3.52 A) &rst ixpk= 2794, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 51 ARG HA 51 ARG HD+ 5.50 (# 2795:20 Unique 4.30, 4.55 A) &rst ixpk= 2795, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 51 ARG HA 51 ARG HD- 5.50 (# 2796:20 Unique 4.30, 4.55 A) &rst ixpk= 2796, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 51 ARG HE 51 ARG HD- 5.50 (# 2797:20 Unique 2.35, 2.81 A) &rst ixpk= 2797, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 51 ARG HN 51 ARG HD+ 5.50 (# 2798:20 Unique 3.99, 4.46 A) &rst ixpk= 2798, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 51 ARG HN 51 ARG HD- 5.50 (# 2799:20 Unique 3.99, 4.46 A) &rst ixpk= 2799, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 697, 698, &end # # 148 PHE HN 147 GLY HA+ 5.50 (# 2800:20 Unique 3.20, 3.42 A) &rst ixpk= 2800, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2220,2221, &end # # 0 AMB 20-2:2801 0 AMB 20-1:2801 4.50 (# 2801:20 Double Ambig) &rst ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 188, 189, 190, 181, 182, igr2=1781,1782,1781,1782, &end # # 118 VAL MGY 119 GLY HA+ 5.50 (# 2802:20 Unique 3.27, 5.83 A) &rst ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1769,1770,1771,1773,1774,1775, igr2=1781,1782, &end # # 9 GLY HN 9 GLY HA- 4.50 (# 2803:20 Unique 2.58, 2.80 A) &rst ixpk= 2803, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 130, 131, &end # # 72 GLU HN 71 GLY HA+ 5.50 (# 2804:20 Unique 3.15, 3.33 A) &rst ixpk= 2804, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1015,1016, &end # # 0 AMB 20-2:2805 0 AMB 20-1:2805 5.50 (# 2805:20 Double Ambig) &rst ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1920,1684, igr2=1015,1016,1015,1016, &end # # 128 ILE HA 71 GLY HA+ 3.50 (# 2806:20 Unique 2.41, 2.90 A) &rst ixpk= 2806, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1015,1016, &end # # 127 PRO HB+ 71 GLY HA+ 4.50 (# 2807:20 Unique 2.34, 3.94 A) &rst ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1917,1918, igr2=1015,1016, &end # # 127 PRO HB- 71 GLY HA+ 4.50 (# 2808:20 Unique 2.34, 3.94 A) &rst ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1917,1918, igr2=1015,1016, &end # # 0 AMB 20-2:2809 39 GLY HA- 4.50 (# 2809:20 Single Ambig) &rst ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 575, 576, 575, 576, igr2= 535, 536, &end # # 40 GLY HN 39 GLY HA- 5.50 (# 2810:20 Unique 3.01, 3.34 A) &rst ixpk= 2810, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 535, 536, &end # # 148 PHE HN 147 GLY HA- 5.50 (# 2811:20 Unique 3.20, 3.42 A) &rst ixpk= 2811, nxpk= 20, iat=2225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2220,2221, &end # # 64 THR MG2 112 GLY HA- 4.50 (# 2812:20 Unique 3.93, 5.01 A) &rst ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 922, 923, 924, igr2=1677,1678, &end # # 66 MET ME 112 GLY HA- 4.50 (# 2813:20 Unique 3.75, 5.50 A) &rst ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 953, 954, 955, igr2=1677,1678, &end # # 111 LEU HA 112 GLY HA- 4.50 (# 2814:20 Unique 4.32, 4.39 A) &rst ixpk= 2814, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1677,1678, &end # # 74 ARG HB- 74 ARG HD- 4.50 (# 2815:20 Unique 2.34, 3.28 A) &rst ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1058,1059, igr2=1064,1065, &end # # 74 ARG HB+ 74 ARG HD- 5.50 (# 2816:20 Unique 2.34, 3.28 A) &rst ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1058,1059, igr2=1064,1065, &end # # 151 LEU HA 74 ARG HD- 5.50 (# 2817:20 Unique 2.27, 3.89 A) &rst ixpk= 2817, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1064,1065, &end # # 74 ARG HE 74 ARG HD- 5.50 (# 2819:20 Unique 2.24, 2.62 A) &rst ixpk= 2819, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1064,1065, &end # # 75 ILE HN 74 ARG HD- 5.50 (# 2820:20 Unique 3.68, 3.85 A) &rst ixpk= 2820, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1064,1065, &end # # 0 AMB 20-2:2821 74 ARG HD- 5.50 (# 2821:20 Single Ambig) &rst ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2272,1054, igr2=1064,1065, &end # # 149 ALA HN 74 ARG HD- 5.50 (# 2822:20 Unique 3.15, 4.05 A) &rst ixpk= 2822, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1064,1065, &end # # 0 AMB 20-2:2823 74 ARG HD- 5.50 (# 2823:20 Single Ambig) &rst ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2=1064,1065, &end # # 151 LEU MDY 74 ARG HD- 5.50 (# 2824:20 Unique 4.11, 6.50 A) &rst ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2281,2282,2283,2285,2286,2287, igr2=1064,1065, &end # # 20 PRO HD- 9 GLY HA+ 4.50 (# 2825:20 Unique 2.39, 3.54 A) &rst ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 250, 251, igr2= 130, 131, &end # # 20 PRO HD+ 9 GLY HA+ 5.50 (# 2826:20 Unique 2.39, 3.54 A) &rst ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 130, 131, &end # # 10 ASN HN 9 GLY HA+ 4.50 (# 2827:20 Unique 2.24, 2.58 A) &rst ixpk= 2827, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 130, 131, &end # # 9 GLY HN 9 GLY HA+ 5.50 (# 2828:20 Unique 2.58, 2.80 A) &rst ixpk= 2828, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 130, 131, &end # # 6 LEU HG 6 LEU HB+ 4.50 (# 2829:20 Unique 2.47, 2.77 A) &rst ixpk= 2829, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 86, 87, &end # # 60 ILE HG1+ 6 LEU HB+ 4.50 (# 2830:20 Unique 2.25, 3.86 A) &rst ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 869, 870, igr2= 86, 87, &end # # 6 LEU HA 6 LEU HB+ 4.50 (# 2831:20 Unique 2.38, 2.71 A) &rst ixpk= 2831, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 86, 87, &end # # 0 AMB 20-2:2832 0 AMB 20-1:2832 5.50 (# 2832:20 Double Ambig) &rst ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 878, 668, igr2= 86, 87, 86, 87, &end # # 0 AMB 20-2:2833 0 AMB 20-1:2833 5.50 (# 2833:20 Double Ambig) &rst ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 101, 521, igr2= 86, 87, 86, 87, &end # # 6 LEU HN 6 LEU HB+ 5.50 (# 2834:20 Unique 2.42, 2.84 A) &rst ixpk= 2834, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 86, 87, &end # # 5 LEU HA 5 LEU HB+ 4.50 (# 2836:20 Unique 2.38, 2.72 A) &rst ixpk= 2836, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 34 TRP HB+ 5 LEU HB+ 5.50 (# 2837:20 Unique 2.31, 3.41 A) &rst ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, igr2= 67, 68, &end # # 5 LEU MDY 5 LEU HB+ 4.50 (# 2838:20 Unique 2.34, 3.35 A) &rst ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 72, 73, 74, 76, 77, 78, igr2= 67, 68, &end # # 62 ASP HN 112 GLY HA+ 5.50 (# 2839:20 Unique 3.12, 4.02 A) &rst ixpk= 2839, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1677,1678, &end # # 112 GLY HN 112 GLY HA+ 4.50 (# 2840:20 Unique 2.37, 2.68 A) &rst ixpk= 2840, nxpk= 20, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1677,1678, &end # # 64 THR HB 112 GLY HA+ 5.50 (# 2841:20 Unique 2.29, 3.06 A) &rst ixpk= 2841, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1677,1678, &end # # 0 AMB 20-2:2842 0 AMB 20-1:2842 5.50 (# 2842:20 Double Ambig) &rst ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 953, 954, 955,1214,1215, igr2=1677,1678,1677,1678, &end # # 76 ILE QD1 112 GLY HA+ 4.50 (# 2843:20 Unique 2.18, 3.75 A) &rst ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1110,1111,1112, igr2=1677,1678, &end # # 64 THR MG2 112 GLY HA+ 5.50 (# 2844:20 Unique 3.93, 5.01 A) &rst ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 922, 923, 924, igr2=1677,1678, &end # # 34 TRP HH2 57 ARG HD+ 5.50 (# 2845:20 Unique 2.70, 6.96 A) &rst ixpk= 2845, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 807, 808, &end # # 127 PRO HB+ 71 GLY HA- 5.50 (# 2846:20 Unique 2.34, 3.94 A) &rst ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918, igr2=1015,1016, &end # # 127 PRO HB- 71 GLY HA- 5.50 (# 2847:20 Unique 2.34, 3.94 A) &rst ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918, igr2=1015,1016, &end # # 113 ILE QG2 71 GLY HA- 4.50 (# 2848:20 Unique 2.40, 3.80 A) &rst ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1688,1689,1690, igr2=1015,1016, &end # # 109 ILE QD1 57 ARG HD+ 5.50 (# 2849:20 Unique 2.22, 4.57 A) &rst ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1630,1631,1632, igr2= 807, 808, &end # # 128 ILE HA 71 GLY HA- 4.50 (# 2850:20 Unique 2.41, 2.90 A) &rst ixpk= 2850, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1015,1016, &end # # 72 GLU HN 71 GLY HA- 5.50 (# 2851:20 Unique 3.15, 3.33 A) &rst ixpk= 2851, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1015,1016, &end # # 57 ARG HB- 57 ARG HD- 4.50 (# 2852:20 Unique 2.29, 3.27 A) &rst ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 801, 802, igr2= 807, 808, &end # # 0 AMB 20-2:2853 57 ARG HD- 4.50 (# 2853:20 Single Ambig) &rst ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1590,1591, 801, 802, igr2= 807, 808, &end # # 109 ILE QD1 57 ARG HD- 4.50 (# 2854:20 Unique 2.22, 4.57 A) &rst ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1630,1631,1632, igr2= 807, 808, &end # # 0 AMB 20-2:2856 0 AMB 20-1:2856 4.50 (# 2856:20 Double Ambig) &rst ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1590,1591, 801, 802, igr2= 807, 808, 807, 808, &end # # 0 AMB 20-2:2857 57 ARG HD- 5.50 (# 2857:20 Single Ambig) &rst ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 799, 37, igr2= 807, 808, &end # # 34 TRP HH2 57 ARG HD- 5.50 (# 2858:20 Unique 2.70, 6.96 A) &rst ixpk= 2858, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 807, 808, &end # # 57 ARG HE 57 ARG HD- 4.50 (# 2859:20 Unique 2.41, 2.80 A) &rst ixpk= 2859, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 807, 808, &end # # 57 ARG HE 57 ARG HD+ 4.50 (# 2860:20 Unique 2.41, 2.80 A) &rst ixpk= 2860, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 807, 808, &end # # 113 ILE QG2 71 GLY HA+ 4.50 (# 2862:20 Unique 2.40, 3.80 A) &rst ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1688,1689,1690, igr2=1015,1016, &end # # 118 VAL HA 119 GLY HA+ 5.50 (# 2863:20 Unique 4.39, 4.46 A) &rst ixpk= 2863, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1781,1782, &end # # 20 PRO HD+ 9 GLY HA- 5.50 (# 2864:20 Unique 2.39, 3.54 A) &rst ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 130, 131, &end # # 0 AMB 20-2:2865 0 AMB 20-1:2865 5.50 (# 2865:20 Double Ambig) &rst ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 799, 37, igr2= 807, 808, 807, 808, &end # # 34 TRP HN 0 AMB 20-1:2866 5.50 (# 2866:20 Single Ambig) &rst ixpk= 2866, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 427, 428, 427, 428, &end # # 33 ASN HN 0 AMB 20-1:2867 3.50 (# 2867:20 Single Ambig) &rst ixpk= 2867, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 427, 428, 427, 428, &end # # 34 TRP HE1 0 AMB 20-1:2868 5.50 (# 2868:20 Single Ambig) &rst ixpk= 2868, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 427, 428, 427, 428, &end # # 0 AMB 20-2:2869 0 AMB 20-1:2869 5.50 (# 2869:20 Double Ambig) &rst ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 149, 242, igr2= 227, 228, 227, 228, 227, 228, &end # # 10 ASN HN 0 AMB 20-1:2870 4.50 (# 2870:20 Single Ambig) &rst ixpk= 2870, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 227, 228, 227, 228, &end # # 18 ALA HN 0 AMB 20-1:2871 5.50 (# 2871:20 Single Ambig) &rst ixpk= 2871, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 227, 228, 227, 228, &end # # 20 PRO HD- 0 AMB 20-1:2872 4.50 (# 2872:20 Single Ambig) &rst ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 250, 251, igr2= 227, 228, 227, 228, &end # # 20 PRO HB- 0 AMB 20-1:2873 4.50 (# 2873:20 Single Ambig) &rst ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 256, 257, igr2= 227, 228, 227, 228, &end # # 128 ILE QG2 0 AMB 20-1:2875 5.50 (# 2875:20 Single Ambig) &rst ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1930,1931,1932, igr2= 227, 228, 227, 228, &end # # 16 ASP HB- 0 AMB 20-1:2876 5.50 (# 2876:20 Single Ambig) &rst ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 217, 218, igr2= 227, 228, 227, 228, &end # # 40 GLY HN 39 GLY HA+ 5.50 (# 2877:20 Unique 3.01, 3.34 A) &rst ixpk= 2877, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 535, 536, &end # # 43 PRO HA 39 GLY HA+ 3.50 (# 2878:20 Unique 2.11, 2.72 A) &rst ixpk= 2878, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 535, 536, &end # # 6 LEU MDX 39 GLY HA+ 4.50 (# 2879:20 Unique 2.21, 4.69 A) &rst ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 91, 92, 93, 95, 96, 97, igr2= 535, 536, &end # # 109 ILE HB 59 LEU HB- 5.50 (# 2880:20 Unique 2.82, 4.01 A) &rst ixpk= 2880, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 844, 845, &end # # 34 TRP HH2 59 LEU HB- 5.50 (# 2882:20 Unique 3.81, 7.84 A) &rst ixpk= 2882, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 844, 845, &end # # 59 LEU HA 59 LEU HB- 4.50 (# 2883:20 Unique 2.33, 2.74 A) &rst ixpk= 2883, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 844, 845, &end # # 59 LEU HA 59 LEU HB+ 4.50 (# 2884:20 Unique 2.33, 2.74 A) &rst ixpk= 2884, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 844, 845, &end # # 34 TRP HH2 59 LEU HB+ 5.50 (# 2885:20 Unique 3.81, 7.84 A) &rst ixpk= 2885, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 844, 845, &end # # 59 LEU HN 59 LEU HB+ 4.50 (# 2887:20 Unique 2.41, 2.92 A) &rst ixpk= 2887, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 844, 845, &end # # 59 LEU HN 59 LEU HB- 4.50 (# 2888:20 Unique 2.41, 2.92 A) &rst ixpk= 2888, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 844, 845, &end # # 5 LEU HG 5 LEU HB- 4.50 (# 2889:20 Unique 2.32, 2.74 A) &rst ixpk= 2889, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 34 TRP HB+ 5 LEU HB- 5.50 (# 2890:20 Unique 2.31, 3.41 A) &rst ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, igr2= 67, 68, &end # # 36 VAL HA 5 LEU HB- 5.50 (# 2891:20 Unique 2.16, 3.24 A) &rst ixpk= 2891, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 67, 68, &end # # 6 LEU HG 6 LEU HB- 5.50 (# 2893:20 Unique 2.47, 2.77 A) &rst ixpk= 2893, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 86, 87, &end # # 6 LEU HA 6 LEU HB- 4.50 (# 2894:20 Unique 2.38, 2.71 A) &rst ixpk= 2894, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 86, 87, &end # # 138 ARG HD+ 146 GLY HA- 5.50 (# 2896:20 Unique 3.46, 5.05 A) &rst ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2096,2097, igr2=2213,2214, &end # # 142 TRP HB- 146 GLY HA- 5.50 (# 2897:20 Unique 2.40, 3.66 A) &rst ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2155,2156, igr2=2213,2214, &end # # 142 TRP HA 146 GLY HA- 5.50 (# 2898:20 Unique 1.93, 2.45 A) &rst ixpk= 2898, nxpk= 20, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 142 TRP HB- 146 GLY HA+ 5.50 (# 2899:20 Unique 2.40, 3.66 A) &rst ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2155,2156, igr2=2213,2214, &end # # 0 AMB 20-2:2901 146 GLY HA- 5.50 (# 2901:20 Single Ambig) &rst ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2225,2151, igr2=2213,2214, &end # # 148 PHE HD 146 GLY HA- 4.50 (# 2902:20 Unique 2.23, 5.69 A) &rst ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2233,2241, igr2=2213,2214, &end # # 142 TRP HE1 146 GLY HA- 5.50 (# 2903:20 Unique 4.16, 4.99 A) &rst ixpk= 2903, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 0 AMB 20-2:2905 0 AMB 20-1:2905 5.50 (# 2905:20 Double Ambig) &rst ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2225,2151, igr2=2213,2214,2213,2214, &end # # 148 PHE HD 146 GLY HA+ 5.50 (# 2906:20 Unique 2.23, 5.69 A) &rst ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2233,2241, igr2=2213,2214, &end # # 142 TRP HA 146 GLY HA+ 5.50 (# 2907:20 Unique 1.93, 2.45 A) &rst ixpk= 2907, nxpk= 20, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 57 ARG HB- 57 ARG HD+ 4.50 (# 2908:20 Unique 2.29, 3.27 A) &rst ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 801, 802, igr2= 807, 808, &end # # 107 GLU HN 57 ARG HD+ 5.50 (# 2909:20 Unique 4.17, 4.79 A) &rst ixpk= 2909, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 807, 808, &end # # 107 GLU HN 57 ARG HD- 5.50 (# 2910:20 Unique 4.17, 4.79 A) &rst ixpk= 2910, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 807, 808, &end # # 34 TRP HB- 5 LEU HB- 5.50 (# 2911:20 Unique 2.31, 3.41 A) &rst ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, igr2= 67, 68, &end # # 5 LEU HN 5 LEU HB- 4.50 (# 2912:20 Unique 2.28, 2.84 A) &rst ixpk= 2912, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 6 LEU HN 6 LEU HB- 4.50 (# 2913:20 Unique 2.42, 2.84 A) &rst ixpk= 2913, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 86, 87, &end # # 0 AMB 20-2:2914 6 LEU HB- 5.50 (# 2914:20 Single Ambig) &rst ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 101, 521, igr2= 86, 87, &end # # 151 LEU HA 74 ARG HD+ 4.50 (# 2915:20 Unique 2.27, 3.89 A) &rst ixpk= 2915, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1064,1065, &end # # 16 ASP HA 16 ASP HB- 3.50 (# 2916:20 Unique 2.45, 2.78 A) &rst ixpk= 2916, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 217, 218, &end # # 74 ARG HA 74 ARG HD+ 4.50 (# 2917:20 Unique 2.12, 2.65 A) &rst ixpk= 2917, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1064,1065, &end # # 0 AMB 20-2:2918 16 ASP HB- 5.50 (# 2918:20 Single Ambig) &rst ixpk= 2918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 225, 160, igr2= 217, 218, &end # # 79 ASP HN 77 ASP HB- 5.50 (# 2919:20 Unique 3.52, 4.17 A) &rst ixpk= 2919, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1120,1121, &end # # 79 ASP HN 77 ASP HB+ 5.50 (# 2920:20 Unique 3.52, 4.17 A) &rst ixpk= 2920, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1120,1121, &end # # 34 TRP HE1 139 LEU HB+ 5.50 (# 2921:20 Unique 2.21, 3.88 A) &rst ixpk= 2921, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2114,2115, &end # # 152 ALA HN 151 LEU HB+ 5.50 (# 2922:20 Unique 3.79, 4.12 A) &rst ixpk= 2922, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 0 AMB 20-2:2923 0 AMB 20-1:2923 5.50 (# 2923:20 Double Ambig) &rst ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2257,1080, igr2=2276,2277,2276,2277, &end # # 76 ILE HA 151 LEU HB+ 5.50 (# 2924:20 Unique 2.96, 3.66 A) &rst ixpk= 2924, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 151 LEU HA 151 LEU HB+ 4.50 (# 2925:20 Unique 2.47, 2.77 A) &rst ixpk= 2925, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2276,2277, &end # # 102 LYS HN 101 LEU HB+ 5.50 (# 2926:20 Unique 2.43, 3.18 A) &rst ixpk= 2926, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1496,1497, &end # # 58 LEU HG 58 LEU HB- 4.50 (# 2927:20 Unique 2.44, 2.77 A) &rst ixpk= 2927, nxpk= 20, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 825, 826, &end # # 108 VAL HA 58 LEU HB+ 5.50 (# 2928:20 Unique 2.31, 3.36 A) &rst ixpk= 2928, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 108 VAL HA 58 LEU HB- 5.50 (# 2929:20 Unique 2.31, 3.36 A) &rst ixpk= 2929, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 0 AMB 20-2:2930 58 LEU HB- 5.50 (# 2930:20 Single Ambig) &rst ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 799, 37, 65, igr2= 825, 826, &end # # 58 LEU HA 58 LEU HB+ 5.50 (# 2931:20 Unique 2.36, 2.70 A) &rst ixpk= 2931, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 58 LEU HA 58 LEU HB- 4.50 (# 2932:20 Unique 2.36, 2.70 A) &rst ixpk= 2932, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 825, 826, &end # # 58 LEU HN 58 LEU HB+ 5.50 (# 2933:20 Unique 2.53, 2.99 A) &rst ixpk= 2933, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 58 LEU HN 58 LEU HB- 5.50 (# 2934:20 Unique 2.53, 2.99 A) &rst ixpk= 2934, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 59 LEU HN 58 LEU HB+ 5.50 (# 2935:20 Unique 3.92, 4.12 A) &rst ixpk= 2935, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 825, 826, &end # # 61 VAL MGX 19 GLY HA- 4.50 (# 2936:20 Unique 2.84, 5.24 A) &rst ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 884, 885, 886, 888, 889, 890, igr2= 244, 245, &end # # 22 LEU MDX 19 GLY HA- 4.50 (# 2937:20 Unique 2.42, 5.56 A) &rst ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 291, 292, 293, 295, 296, 297, igr2= 244, 245, &end # # 0 AMB 20-2:2938 19 GLY HA- 5.50 (# 2938:20 Single Ambig) &rst ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 286, 287, 236, 237, 238, igr2= 244, 245, &end # # 61 VAL HB 19 GLY HA- 5.50 (# 2939:20 Unique 2.78, 3.42 A) &rst ixpk= 2939, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 244, 245, &end # # 20 PRO HG+ 19 GLY HA- 5.50 (# 2940:20 Unique 4.60, 5.48 A) &rst ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 253, 254, igr2= 244, 245, &end # # 0 AMB 20-2:2941 19 GLY HA- 5.50 (# 2941:20 Single Ambig) &rst ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 105, 106, 898, 899, igr2= 244, 245, &end # # 0 AMB 20-2:2942 19 GLY HA- 5.50 (# 2942:20 Single Ambig) &rst ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 286, 287, 898, 899, igr2= 244, 245, &end # # 7 CYS HB+ 19 GLY HA- 5.50 (# 2943:20 Unique 2.67, 3.76 A) &rst ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 105, 106, igr2= 244, 245, &end # # 20 PRO HD- 19 GLY HA- 4.50 (# 2944:20 Unique 2.48, 3.47 A) &rst ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 250, 251, igr2= 244, 245, &end # # 0 AMB 20-2:2945 19 GLY HA- 5.50 (# 2945:20 Single Ambig) &rst ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 282, 301, 263, igr2= 244, 245, &end # # 8 VAL HN 19 GLY HA- 5.50 (# 2946:20 Unique 1.83, 2.55 A) &rst ixpk= 2946, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 244, 245, &end # # 19 GLY HN 19 GLY HA+ 4.50 (# 2947:20 Unique 2.29, 2.57 A) &rst ixpk= 2947, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 244, 245, &end # # 8 VAL HN 19 GLY HA+ 5.50 (# 2948:20 Unique 1.83, 2.55 A) &rst ixpk= 2948, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 244, 245, &end # # 0 AMB 20-2:2949 0 AMB 20-1:2949 5.50 (# 2949:20 Double Ambig) &rst ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 282, 301, igr2= 244, 245, 244, 245, &end # # 20 PRO HD- 19 GLY HA+ 4.50 (# 2950:20 Unique 2.48, 3.47 A) &rst ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 250, 251, igr2= 244, 245, &end # # 0 AMB 20-2:2951 0 AMB 20-1:2951 5.50 (# 2951:20 Double Ambig) &rst ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 105, 106, 898, 899, igr2= 244, 245, 244, 245, &end # # 20 PRO HB- 19 GLY HA+ 5.50 (# 2952:20 Unique 5.39, 6.01 A) &rst ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 244, 245, &end # # 0 AMB 20-2:2953 0 AMB 20-1:2953 5.50 (# 2953:20 Double Ambig) &rst ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 286, 287, 236, 237, 238, igr2= 244, 245, 244, 245, &end # # 22 LEU MDX 19 GLY HA+ 5.50 (# 2954:20 Unique 2.42, 5.56 A) &rst ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 291, 292, 293, 295, 296, 297, igr2= 244, 245, &end # # 61 VAL MGX 19 GLY HA+ 5.50 (# 2955:20 Unique 2.84, 5.24 A) &rst ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 884, 885, 886, 888, 889, 890, igr2= 244, 245, &end # # 0 AMB 20-2:2956 0 AMB 20-1:2956 5.50 (# 2956:20 Double Ambig) &rst ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1831,1832, 205, 206, igr2= 196, 197, 196, 197, &end # # 0 AMB 20-2:2957 14 GLY HA- 4.50 (# 2957:20 Single Ambig) &rst ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1831,1832, 205, 206, igr2= 196, 197, &end # # 0 AMB 20-2:2958 0 AMB 20-1:2958 5.50 (# 2958:20 Double Ambig) &rst ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1750,1751,1752,1566,1567,1568, igr2= 196, 197,1581,1582, &end # # 105 ILE QG2 106 GLY HA- 5.50 (# 2959:20 Unique 4.00, 5.04 A) &rst ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1566,1567,1568, igr2=1581,1582, &end # # 0 AMB 20-2:2960 20 PRO HD- 5.50 (# 2960:20 Single Ambig) &rst ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 227, 228, 227, 228, igr2= 250, 251, &end # # 0 AMB 20-2:2961 20 PRO HD- 5.50 (# 2961:20 Single Ambig) &rst ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 130, 131, 259, igr2= 250, 251, &end # # 19 GLY HA+ 20 PRO HD- 4.50 (# 2962:20 Unique 2.48, 3.47 A) &rst ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 244, 245, igr2= 250, 251, &end # # 41 SER HB+ 20 PRO HD+ 5.50 (# 2963:20 Unique 6.29, 7.29 A) &rst ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 250, 251, &end # # 19 GLY HA+ 20 PRO HD+ 5.50 (# 2964:20 Unique 2.48, 3.47 A) &rst ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 244, 245, igr2= 250, 251, &end # # 20 PRO HB- 20 PRO HD+ 4.50 (# 2965:20 Unique 2.90, 3.69 A) &rst ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 256, 257, igr2= 250, 251, &end # # 20 PRO HB- 20 PRO HD- 4.50 (# 2966:20 Unique 2.90, 3.69 A) &rst ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 256, 257, igr2= 250, 251, &end # # 20 PRO HG+ 20 PRO HD- 4.50 (# 2967:20 Unique 2.29, 2.59 A) &rst ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 253, 254, igr2= 250, 251, &end # # 9 GLY HA+ 20 PRO HD+ 5.50 (# 2968:20 Unique 2.39, 3.54 A) &rst ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 130, 131, igr2= 250, 251, &end # # 9 GLY HA+ 20 PRO HD- 5.50 (# 2969:20 Unique 2.39, 3.54 A) &rst ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 130, 131, igr2= 250, 251, &end # # 0 AMB 20-2:2970 43 PRO HD- 4.50 (# 2970:20 Single Ambig) &rst ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384, 1385,1386, igr2= 569, 570, &end # # 8 VAL MGY 43 PRO HD- 4.50 (# 2971:20 Unique 2.31, 4.88 A) &rst ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 118, 119, 120, 122, 123, 124, igr2= 569, 570, &end # # 42 ALA MB 43 PRO HD- 4.50 (# 2972:20 Unique 4.33, 4.88 A) &rst ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 562, 563, 564, igr2= 569, 570, &end # # 123 PRO HB+ 123 PRO HD- 5.50 (# 2973:20 Unique 2.94, 3.72 A) &rst ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1855,1856, igr2=1849,1850, &end # # 122 TYR HB- 123 PRO HD- 5.50 (# 2974:20 Unique 2.33, 3.76 A) &rst ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1831,1832, igr2=1849,1850, &end # # 122 TYR HB+ 123 PRO HD- 4.50 (# 2975:20 Unique 2.33, 3.76 A) &rst ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1831,1832, igr2=1849,1850, &end # # 0 AMB 20-2:2976 43 PRO HD- 5.50 (# 2976:20 Single Ambig) &rst ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 558, 128, igr2= 569, 570, &end # # 44 GLU HN 43 PRO HD- 5.50 (# 2977:20 Unique 2.62, 3.43 A) &rst ixpk= 2977, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 569, 570, &end # # 0 AMB 20-2:2978 43 PRO HD- 4.50 (# 2978:20 Single Ambig) &rst ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 549, 578, igr2= 569, 570, &end # # 53 LEU HB- 55 PRO HD+ 5.50 (# 2979:20 Unique 2.26, 4.13 A) &rst ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 730, 731, igr2= 770, 771, &end # # 53 LEU HN 55 PRO HD+ 5.50 (# 2980:20 Unique 3.17, 4.09 A) &rst ixpk= 2980, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 770, 771, &end # # 0 AMB 20-2:2981 93 PRO HD- 5.50 (# 2981:20 Single Ambig) &rst ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1408,1409,1408,1409, igr2=1358,1359, &end # # 91 ASN HB- 93 PRO HD+ 5.50 (# 2982:20 Unique 5.29, 6.77 A) &rst ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1330,1331, igr2=1358,1359, &end # # 0 AMB 20-2:2983 0 AMB 20-1:2983 5.50 (# 2983:20 Double Ambig) &rst ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1408,1409,1408,1409, igr2=1358,1359,1358,1359, &end # # 122 TYR HB+ 123 PRO HD+ 4.50 (# 2984:20 Unique 2.33, 3.76 A) &rst ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1831,1832, igr2=1849,1850, &end # # 122 TYR HB- 123 PRO HD+ 4.50 (# 2985:20 Unique 2.33, 3.76 A) &rst ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1831,1832, igr2=1849,1850, &end # # 0 AMB 20-2:2986 0 AMB 20-1:2986 4.50 (# 2986:20 Double Ambig) &rst ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1= 118, 119, 120, 122, 123, 124,1380,1381,1382,1384, 1385,1386, igr2= 569, 570, 569, 570, &end # # 8 VAL MGY 43 PRO HD+ 4.50 (# 2987:20 Unique 2.31, 4.88 A) &rst ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 118, 119, 120, 122, 123, 124, igr2= 569, 570, &end # # 29 ALA HN 30 PRO HD- 5.50 (# 2988:20 Unique 3.30, 4.02 A) &rst ixpk= 2988, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 390, 391, &end # # 114 GLN HE2- 115 PRO HD- 4.50 (# 2989:20 Unique 1.95, 3.46 A) &rst ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1713,1714, igr2=1719,1720, &end # # 114 GLN HE2+ 115 PRO HD- 5.50 (# 2990:20 Unique 1.95, 3.46 A) &rst ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1713,1714, igr2=1719,1720, &end # # 63 ALA HA 115 PRO HD- 5.50 (# 2991:20 Unique 3.52, 4.48 A) &rst ixpk= 2991, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1719,1720, &end # # 66 MET HN 115 PRO HD- 5.50 (# 2992:20 Unique 3.38, 4.22 A) &rst ixpk= 2992, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1719,1720, &end # # 126 GLN HN 127 PRO HD- 4.50 (# 2993:20 Unique 2.35, 3.00 A) &rst ixpk= 2993, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1911,1912, &end # # 96 TYR HD 93 PRO HD- 5.50 (# 2994:20 Unique 3.28, 6.22 A) &rst ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2=1358,1359, &end # # 29 ALA HA 30 PRO HD- 2.80 (# 2995:20 Unique 2.12, 2.44 A) &rst ixpk= 2995, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2= 390, 391, &end # # 128 ILE QD1 115 PRO HD- 5.50 (# 2996:20 Unique 5.74, 6.80 A) &rst ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1937,1938,1939, igr2=1719,1720, &end # # 126 GLN HN 127 PRO HD+ 4.50 (# 2997:20 Unique 2.35, 3.00 A) &rst ixpk= 2997, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1911,1912, &end # # 0 AMB 20-2:2998 0 AMB 20-1:2998 4.50 (# 2998:20 Double Ambig) &rst ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 558, 128, igr2= 569, 570, 569, 570, &end # # 79 ASP HN 78 PRO HD+ 5.50 (# 2999:20 Unique 3.25, 3.91 A) &rst ixpk= 2999, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1129,1130, &end # # 64 THR HN 115 PRO HD+ 5.50 (# 3000:20 Unique 2.49, 3.22 A) &rst ixpk= 3000, nxpk= 20, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1719,1720, &end # # 0 AMB 20-2:3001 0 AMB 20-1:3001 5.50 (# 3001:20 Double Ambig) &rst ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1340,1326,1390, igr2=1358,1359,1358,1359,1358,1359, &end # # 53 LEU HN 55 PRO HD- 5.50 (# 3002:20 Unique 3.17, 4.09 A) &rst ixpk= 3002, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 770, 771, &end # # 44 GLU HN 43 PRO HD+ 5.50 (# 3003:20 Unique 2.62, 3.43 A) &rst ixpk= 3003, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 569, 570, &end # # 122 TYR HN 123 PRO HD+ 5.50 (# 3004:20 Unique 4.82, 5.01 A) &rst ixpk= 3004, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1849,1850, &end # # 122 TYR HA 123 PRO HD+ 2.80 (# 3005:20 Unique 2.23, 2.44 A) &rst ixpk= 3005, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1849,1850, &end # # 128 ILE QD1 127 PRO HD+ 5.50 (# 3006:20 Unique 3.06, 5.23 A) &rst ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1937,1938,1939, igr2=1911,1912, &end # # 127 PRO HB- 127 PRO HD+ 5.50 (# 3007:20 Unique 2.80, 3.68 A) &rst ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1917,1918, igr2=1911,1912, &end # # 128 ILE HN 127 PRO HD+ 5.50 (# 3008:20 Unique 2.76, 3.81 A) &rst ixpk= 3008, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1911,1912, &end # # 129 LYS HN 127 PRO HD+ 5.50 (# 3009:20 Unique 4.58, 5.12 A) &rst ixpk= 3009, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1911,1912, &end # # 77 ASP HB+ 78 PRO HD+ 5.50 (# 3010:20 Unique 3.70, 4.44 A) &rst ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1120,1121, igr2=1129,1130, &end # # 0 AMB 20-2:3011 0 AMB 20-1:3011 4.50 (# 3011:20 Double Ambig) &rst ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1120,1121,1394,1395,1146,1147, igr2=1129,1130,1129,1130,1129,1130, &end # # 81 ILE QG2 78 PRO HD+ 5.50 (# 3012:20 Unique 5.50, 7.26 A) &rst ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1172,1173,1174, igr2=1129,1130, &end # # 0 AMB 20-2:3013 0 AMB 20-1:3013 5.50 (# 3013:20 Double Ambig) &rst ixpk= 3013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613,1454,1455, igr2=1129,1130,1129,1130,1129,1130, &end # # 79 ASP HN 78 PRO HD- 5.50 (# 3014:20 Unique 3.25, 3.91 A) &rst ixpk= 3014, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1129,1130, &end # # 0 AMB 20-2:3015 78 PRO HD- 5.50 (# 3015:20 Single Ambig) &rst ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1116,1097, igr2=1129,1130, &end # # 0 AMB 20-2:3018 3 ASP HA 5.50 (# 3018:20 Single Ambig) &rst ixpk= 3018, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 448, 770, 771, &end # # 5 LEU MDX 5 LEU HA 5.50 (# 3019:20 Unique 2.30, 3.96 A) &rst ixpk= 3019, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 73 ILE QG2 74 ARG HA 5.50 (# 3020:20 Unique 3.52, 4.73 A) &rst ixpk= 3020, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 13 MET HN 13 MET HA 4.50 (# 3021:20 Unique 2.91, 2.94 A) &rst ixpk= 3021, nxpk= 20, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 TYR HN 13 MET HA 5.50 (# 3022:20 Unique 3.43, 3.49 A) &rst ixpk= 3022, nxpk= 20, iat=1827, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 119 GLY HN 13 MET HA 4.50 (# 3023:20 Unique 2.94, 3.26 A) &rst ixpk= 3023, nxpk= 20, iat=1779, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3024 0 AMB 20-1:3024 5.50 (# 3024:20 Double Ambig) &rst ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 171, 172, 173,1835,1844,2168, igr2= 179, 842, &end # # 68 LEU HN 68 LEU HA 5.50 (# 3025:20 Unique 2.93, 2.95 A) &rst ixpk= 3025, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ASN HD2+ 45 ASN HA 5.50 (# 3026:20 Unique 3.43, 4.52 A) &rst ixpk= 3026, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 606, 607, &end # # 114 GLN HE2+ 65 ASP HA 5.50 (# 3027:20 Unique 2.12, 2.63 A) &rst ixpk= 3027, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 65 ASP HN 65 ASP HA 4.50 (# 3028:20 Unique 2.90, 2.91 A) &rst ixpk= 3028, nxpk= 20, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3029 18 ALA HA 4.50 (# 3029:20 Single Ambig) &rst ixpk= 3029, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 263, 282, &end # # 17 GLY HN 18 ALA HA 5.50 (# 3030:20 Unique 4.50, 4.74 A) &rst ixpk= 3030, nxpk= 20, iat= 225, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 GLY HN 18 ALA HA 5.50 (# 3031:20 Unique 3.62, 3.64 A) &rst ixpk= 3031, nxpk= 20, iat= 242, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 GLY HN 140 GLU HA 4.50 (# 3032:20 Unique 2.06, 2.43 A) &rst ixpk= 3032, nxpk= 20, iat= 425,2131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3034 0 AMB 20-1:3034 5.50 (# 3034:20 Double Ambig) &rst ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2052,2053,2052,2053, igr2= 284,2071, &end # # 0 AMB 20-2:3035 0 AMB 20-1:3035 5.50 (# 3035:20 Double Ambig) &rst ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2048, 403, igr2= 284,2071, &end # # 0 AMB 20-2:3039 113 ILE HA 5.50 (# 3039:20 Single Ambig) &rst ixpk= 3039, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 908,1677,1678, &end # # 0 AMB 20-2:3040 113 ILE HA 5.50 (# 3040:20 Single Ambig) &rst ixpk= 3040, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1705,1706,1705,1706, &end # # 0 AMB 20-2:3041 113 ILE HA 5.50 (# 3041:20 Single Ambig) &rst ixpk= 3041, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1981,1982,1983, 970, 971, &end # # 113 ILE HB 113 ILE HA 4.50 (# 3042:20 Unique 3.03, 3.04 A) &rst ixpk= 3042, nxpk= 20, iat=1686,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3043 113 ILE HA 5.50 (# 3043:20 Single Ambig) &rst ixpk= 3043, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1048,1049,1050,2038,2039,2040,2042,2043,2044,1937, 1938,1939, &end # # 73 ILE QG2 113 ILE HA 5.50 (# 3044:20 Unique 3.88, 4.99 A) &rst ixpk= 3044, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 15 ASP HN 118 VAL HA 5.50 (# 3045:20 Unique 2.45, 2.73 A) &rst ixpk= 3045, nxpk= 20, iat= 201,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 139 LEU MDY 136 TYR HA 5.50 (# 3046:20 Unique 2.18, 4.40 A) &rst ixpk= 3046, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:3047 136 TYR HA 5.50 (# 3047:20 Single Ambig) &rst ixpk= 3047, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2114,2115, 70, &end # # 0 AMB 20-2:3048 136 TYR HA 5.50 (# 3048:20 Single Ambig) &rst ixpk= 3048, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 407, 408, 330, 331, 289, &end # # 0 AMB 20-2:3049 142 TRP HA 4.50 (# 3049:20 Single Ambig) &rst ixpk= 3049, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2179,2180,2114,2115, &end # # 139 LEU HN 136 TYR HA 5.50 (# 3052:20 Unique 3.49, 3.67 A) &rst ixpk= 3052, nxpk= 20, iat=2110,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3053 136 TYR HA 5.50 (# 3053:20 Single Ambig) &rst ixpk= 3053, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2069,2018, &end # # 0 AMB 20-2:3055 142 TRP HA 5.50 (# 3055:20 Single Ambig) &rst ixpk= 3055, nxpk= 20, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2159, 459, &end # # 0 AMB 20-2:3056 129 LYS HA 5.50 (# 3056:20 Single Ambig) &rst ixpk= 3056, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1=1953,1954,1866,1867,1981,1982,1983, &end # # 0 AMB 20-2:3057 129 LYS HA 5.50 (# 3057:20 Single Ambig) &rst ixpk= 3057, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1869,1870,1956,1957,1969,1970, &end # # 0 AMB 20-2:3058 129 LYS HA 5.50 (# 3058:20 Single Ambig) &rst ixpk= 3058, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1869,1870,1956,1957, &end # # 128 ILE HN 129 LYS HA 5.50 (# 3059:20 Unique 5.19, 5.26 A) &rst ixpk= 3059, nxpk= 20, iat=1924,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 132 VAL HN 129 LYS HA 5.50 (# 3060:20 Unique 3.41, 3.47 A) &rst ixpk= 3060, nxpk= 20, iat=1987,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 ASP HN 129 LYS HA 5.50 (# 3061:20 Unique 3.57, 3.58 A) &rst ixpk= 3061, nxpk= 20, iat=1965,1945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 ARG HN 51 ARG HA 5.50 (# 3062:20 Unique 3.27, 3.51 A) &rst ixpk= 3062, nxpk= 20, iat= 745, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 129 LYS HN 126 GLN HA 5.50 (# 3063:20 Unique 3.34, 3.49 A) &rst ixpk= 3063, nxpk= 20, iat=1943,1895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 LEU HN 51 ARG HA 5.50 (# 3064:20 Unique 3.78, 3.95 A) &rst ixpk= 3064, nxpk= 20, iat= 726, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 73 ILE HA 113 ILE HA 3.50 (# 3065:20 Unique 2.35, 2.43 A) &rst ixpk= 3065, nxpk= 20, iat=1037,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 113 ILE HN 113 ILE HA 5.50 (# 3066:20 Unique 2.97, 2.98 A) &rst ixpk= 3066, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 ILE HN 37 ILE HA 4.50 (# 3067:20 Unique 2.96, 2.97 A) &rst ixpk= 3067, nxpk= 20, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 136 TYR HD 133 GLU HA 4.50 (# 3068:20 Unique 2.34, 4.30 A) &rst ixpk= 3068, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2056,2065, &end # # 136 TYR HN 133 GLU HA 5.50 (# 3069:20 Unique 3.37, 3.50 A) &rst ixpk= 3069, nxpk= 20, iat=2048,2005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 GLU HN 103 GLU HA 2.80 (# 3070:20 Unique 2.75, 2.83 A) &rst ixpk= 3070, nxpk= 20, iat=1533,1535, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 97 LEU HN 94 LEU HA 4.50 (# 3071:20 Unique 2.86, 3.30 A) &rst ixpk= 3071, nxpk= 20, iat=1425,1373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 VAL HA 34 TRP HA 5.50 (# 3073:20 Unique 3.14, 3.85 A) &rst ixpk= 3073, nxpk= 20, iat= 49, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3075 97 LEU HA 5.50 (# 3075:20 Single Ambig) &rst ixpk= 3075, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1475,1492, &end # # 0 AMB 20-2:3076 4 VAL HA 4.50 (# 3076:20 Single Ambig) &rst ixpk= 3076, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 47, 35, &end # # 34 TRP HB+ 4 VAL HA 5.50 (# 3078:20 Unique 3.40, 4.17 A) &rst ixpk= 3078, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 450, 451, &end # # 35 VAL HB 4 VAL HA 3.50 (# 3079:20 Unique 2.50, 2.81 A) &rst ixpk= 3079, nxpk= 20, iat= 474, 49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 VAL HB 4 VAL HA 4.50 (# 3080:20 Unique 2.55, 3.00 A) &rst ixpk= 3080, nxpk= 20, iat= 51, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU HB+ 4 VAL HA 5.50 (# 3081:20 Unique 4.09, 4.43 A) &rst ixpk= 3081, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 67, 68, &end # # 36 VAL HA 4 VAL HA 5.50 (# 3082:20 Unique 4.29, 4.80 A) &rst ixpk= 3082, nxpk= 20, iat= 488, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HA 4 VAL HA 5.50 (# 3083:20 Unique 3.14, 3.85 A) &rst ixpk= 3083, nxpk= 20, iat= 448, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3084 8 VAL HA 5.50 (# 3084:20 Single Ambig) &rst ixpk= 3084, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 535, 536, 569, 570, &end # # 109 ILE HG1- 109 ILE HA 3.50 (# 3085:20 Unique 2.35, 3.17 A) &rst ixpk= 3085, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1627,1628, &end # # 59 LEU MDY 109 ILE HA 5.50 (# 3086:20 Unique 4.71, 7.04 A) &rst ixpk= 3086, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 99 ASP HN 96 TYR HA 4.50 (# 3088:20 Unique 3.00, 3.51 A) &rst ixpk= 3088, nxpk= 20, iat=1463,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 130 ASP HN 126 GLN HA 5.50 (# 3089:20 Unique 3.82, 3.88 A) &rst ixpk= 3089, nxpk= 20, iat=1965,1895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 126 GLN HE2+ 126 GLN HA 5.50 (# 3090:20 Unique 2.59, 3.33 A) &rst ixpk= 3090, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1905,1906, &end # # 0 AMB 20-2:3091 126 GLN HA 5.50 (# 3091:20 Single Ambig) &rst ixpk= 3091, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1869,1870,1969,1970,1969,1970,1956,1957, &end # # 0 AMB 20-2:3092 51 ARG HA 5.50 (# 3092:20 Single Ambig) &rst ixpk= 3092, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 697, 698, 697, 698, &end # # 0 AMB 20-2:3093 0 AMB 20-1:3093 5.50 (# 3093:20 Double Ambig) &rst ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1552,1553,1869,1870,1956,1957, igr2= 689,1895, &end # # 0 AMB 20-2:3094 51 ARG HA 4.50 (# 3094:20 Single Ambig) &rst ixpk= 3094, nxpk= 20, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 770, 771, 670, &end # # 122 TYR HN 121 TYR HA 4.50 (# 3095:20 Unique 2.55, 3.13 A) &rst ixpk= 3095, nxpk= 20, iat=1827,1808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 ILE QG2 72 GLU HA 5.50 (# 3096:20 Unique 6.30, 6.55 A) &rst ixpk= 3096, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 73 ILE HG1- 72 GLU HA 5.50 (# 3097:20 Unique 3.94, 4.93 A) &rst ixpk= 3097, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1045,1046, &end # # 101 LEU MDX 101 LEU HA 3.50 (# 3098:20 Unique 2.19, 3.88 A) &rst ixpk= 3098, nxpk= 20, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1501,1502,1503,1505,1506,1507, &end # # 110 PHE HN 110 PHE HA 5.50 (# 3099:20 Unique 2.95, 2.97 A) &rst ixpk= 3099, nxpk= 20, iat=1636,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 MET HN 66 MET HA 4.50 (# 3100:20 Unique 2.98, 2.99 A) &rst ixpk= 3100, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 GLY HN 66 MET HA 4.50 (# 3101:20 Unique 3.29, 3.31 A) &rst ixpk= 3101, nxpk= 20, iat= 959, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 139 LEU HN 138 ARG HA 5.50 (# 3102:20 Unique 3.50, 3.56 A) &rst ixpk= 3102, nxpk= 20, iat=2110,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3103 49 ALA HA 3.50 (# 3103:20 Single Ambig) &rst ixpk= 3103, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:3104 131 ALA HA 5.50 (# 3104:20 Single Ambig) &rst ixpk= 3104, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1045,1046,1695,1696,1697, &end # # 134 THR HN 131 ALA HA 4.50 (# 3105:20 Unique 3.35, 3.43 A) &rst ixpk= 3105, nxpk= 20, iat=2018,1979, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 MET HN 11 SER HA 5.50 (# 3106:20 Unique 4.22, 4.35 A) &rst ixpk= 3106, nxpk= 20, iat= 177, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 80 ASP HN 79 ASP HA 4.50 (# 3107:20 Unique 3.44, 3.47 A) &rst ixpk= 3107, nxpk= 20, iat=1154,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 ILE HN 79 ASP HA 5.50 (# 3108:20 Unique 4.54, 4.60 A) &rst ixpk= 3108, nxpk= 20, iat=1166,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ALA MB 79 ASP HA 5.50 (# 3109:20 Unique 3.85, 4.82 A) &rst ixpk= 3109, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1189,1190,1191, &end # # 114 GLN HN 70 PRO HA 5.50 (# 3110:20 Unique 4.64, 4.82 A) &rst ixpk= 3110, nxpk= 20, iat=1701,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 114 GLN HE2- 70 PRO HA 5.50 (# 3111:20 Unique 4.37, 5.22 A) &rst ixpk= 3111, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 152 ALA MB 153 VAL HA 5.50 (# 3112:20 Unique 4.80, 5.68 A) &rst ixpk= 3112, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2295,2296,2297, &end # # 105 ILE QG2 55 PRO HA 5.50 (# 3113:20 Unique 4.67, 5.85 A) &rst ixpk= 3113, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1566,1567,1568, &end # # 0 AMB 20-2:3114 55 PRO HA 5.50 (# 3114:20 Single Ambig) &rst ixpk= 3114, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 37, 799, &end # # 0 AMB 20-2:3116 26 CYS HA 4.50 (# 3116:20 Single Ambig) &rst ixpk= 3116, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 330, 331, 407, 408, 373, 374, 375, 363, 364, 365, &end # # 0 AMB 20-2:3117 26 CYS HA 5.50 (# 3117:20 Single Ambig) &rst ixpk= 3117, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 390, 391, 328, 303, &end # # 31 LYS HN 26 CYS HA 5.50 (# 3118:20 Unique 3.20, 3.91 A) &rst ixpk= 3118, nxpk= 20, iat= 403, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3120 89 THR HA 4.50 (# 3120:20 Single Ambig) &rst ixpk= 3120, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1295,1309, &end # # 130 ASP HN 128 ILE HA 5.50 (# 3121:20 Unique 4.36, 4.43 A) &rst ixpk= 3121, nxpk= 20, iat=1965,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3122 56 THR HB 5.50 (# 3122:20 Single Ambig) &rst ixpk= 3122, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 37, 799, &end # # 105 ILE QG2 56 THR HB 5.50 (# 3123:20 Unique 5.13, 6.09 A) &rst ixpk= 3123, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1566,1567,1568, &end # # 150 GLN HB+ 75 ILE QD1 5.50 (# 3124:20 Unique 6.82, 7.63 A) &rst ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2259,2260, igr2=1091,1092,1093, &end # # 49 ALA HN 48 VAL HA 5.50 (# 3125:20 Unique 3.62, 3.63 A) &rst ixpk= 3125, nxpk= 20, iat= 658, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HZ2 34 TRP HH2 5.50 (# 3132:20 Unique 2.49, 2.50 A) &rst ixpk= 3132, nxpk= 20, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 VAL HN 58 LEU HA 5.50 (# 3159:20 Unique 2.49, 2.70 A) &rst ixpk= 3159, nxpk= 20, iat= 47, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 LEU HG 58 LEU HA 4.50 (# 3161:20 Unique 3.17, 3.30 A) &rst ixpk= 3161, nxpk= 20, iat= 828, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 GLU HN 42 ALA HA 5.50 (# 3162:20 Unique 3.42, 3.51 A) &rst ixpk= 3162, nxpk= 20, iat= 582, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HD 25 LYS HB- 5.50 (# 3167:20 Unique 2.82, 3.76 A) &rst ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2056,2065, igr2= 330, 331, &end # # 55 PRO HB+ 55 PRO HA 3.50 (# 3168:20 Unique 2.27, 2.65 A) &rst ixpk= 3168, nxpk= 20, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 776, 777, &end # # 145 ASN HD2- 75 ILE QD1 5.50 (# 3169:20 Unique 4.48, 5.42 A) &rst ixpk= 3169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2206,2207, igr2=1091,1092,1093, &end # # 110 PHE HN 75 ILE QD1 5.50 (# 3170:20 Unique 4.25, 5.67 A) &rst ixpk= 3170, nxpk= 20, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1091,1092,1093, &end # # 148 PHE HA 75 ILE QD1 5.50 (# 3171:20 Unique 5.09, 5.84 A) &rst ixpk= 3171, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1091,1092,1093, &end # # 40 GLY HN 8 VAL HA 5.50 (# 3172:20 Unique 2.64, 3.30 A) &rst ixpk= 3172, nxpk= 20, iat= 540, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 PRO HB- 11 SER HA 4.50 (# 3174:20 Unique 2.25, 2.98 A) &rst ixpk= 3174, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 256, 257, &end # # 20 PRO HB+ 11 SER HA 5.50 (# 3176:20 Unique 2.25, 2.98 A) &rst ixpk= 3176, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 256, 257, &end # # 20 PRO HD+ 11 SER HA 5.50 (# 3177:20 Unique 3.77, 4.63 A) &rst ixpk= 3177, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 0 AMB 20-2:3178 0 AMB 20-1:3178 5.50 (# 3178:20 Double Ambig) &rst ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 625, 644, 670, igr2= 584, 713, &end # # 100 GLN HE2+ 100 GLN HA 5.50 (# 3180:20 Unique 2.99, 4.56 A) &rst ixpk= 3180, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1487,1488, &end # # 114 GLN HE2+ 114 GLN HA 5.50 (# 3181:20 Unique 3.07, 3.41 A) &rst ixpk= 3181, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 0 AMB 20-2:3182 28 ALA HA 5.50 (# 3182:20 Single Ambig) &rst ixpk= 3182, nxpk= 20, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 359, 348, &end # # 140 GLU HN 138 ARG HA 4.50 (# 3183:20 Unique 3.88, 4.21 A) &rst ixpk= 3183, nxpk= 20, iat=2129,2088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3184 23 ALA HA 3.50 (# 3184:20 Single Ambig) &rst ixpk= 3184, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 348, 359, &end # # 114 GLN HE2+ 115 PRO HD+ 5.50 (# 3185:20 Unique 1.95, 3.46 A) &rst ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1713,1714, igr2=1719,1720, &end # # 128 ILE HN 127 PRO HD- 5.50 (# 3186:20 Unique 2.76, 3.81 A) &rst ixpk= 3186, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1911,1912, &end # # 122 TYR HD 123 PRO HD- 5.50 (# 3187:20 Unique 2.46, 4.77 A) &rst ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1835,1844, igr2=1849,1850, &end # # 0 AMB 20-2:3188 0 AMB 20-1:3188 5.50 (# 3188:20 Double Ambig) &rst ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 263, 135, 282, igr2= 250, 251, 250, 251, 250, 251, &end # # 0 AMB 20-2:3189 20 PRO HD- 5.50 (# 3189:20 Single Ambig) &rst ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 263, 135, 282, igr2= 250, 251, &end # # 19 GLY HN 20 PRO HD+ 5.50 (# 3190:20 Unique 2.43, 2.82 A) &rst ixpk= 3190, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 250, 251, &end # # 19 GLY HN 20 PRO HD- 5.50 (# 3191:20 Unique 2.43, 2.82 A) &rst ixpk= 3191, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 250, 251, &end # # 20 PRO HG+ 20 PRO HD+ 3.50 (# 3192:20 Unique 2.29, 2.59 A) &rst ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 253, 254, igr2= 250, 251, &end # # 20 PRO HB+ 20 PRO HD+ 5.50 (# 3193:20 Unique 2.90, 3.69 A) &rst ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 250, 251, &end # # 20 PRO HB+ 20 PRO HD- 5.50 (# 3194:20 Unique 2.90, 3.69 A) &rst ixpk= 3194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 250, 251, &end # # 150 GLN HG+ 149 ALA HA 5.50 (# 3195:20 Unique 4.13, 5.73 A) &rst ixpk= 3195, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2262,2263, &end # # 0 AMB 20-2:3197 152 ALA HA 4.50 (# 3197:20 Single Ambig) &rst ixpk= 3197, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 0 AMB 20-2:3198 0 AMB 20-1:3198 5.50 (# 3198:20 Double Ambig) &rst ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1281,1247, igr2=1330,1331,1330,1331, &end # # 138 ARG HE 138 ARG HD- 5.50 (# 3202:20 Unique 2.47, 2.81 A) &rst ixpk= 3202, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2096,2097, &end # # 0 AMB 20-2:3203 138 ARG HD- 5.50 (# 3203:20 Single Ambig) &rst ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2225,2151, igr2=2096,2097, &end # # 138 ARG HN 138 ARG HD- 5.50 (# 3204:20 Unique 3.53, 5.05 A) &rst ixpk= 3204, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2096,2097, &end # # 0 AMB 20-2:3205 0 AMB 20-1:3205 5.50 (# 3205:20 Double Ambig) &rst ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1511,2175,2129, igr2=1524,1525,1524,1525,2096,2097, &end # # 138 ARG HE 138 ARG HD+ 4.50 (# 3208:20 Unique 2.47, 2.81 A) &rst ixpk= 3208, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2096,2097, &end # # 0 AMB 20-2:3209 0 AMB 20-1:3209 5.50 (# 3209:20 Double Ambig) &rst ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2225,2151, igr2=2096,2097,2096,2097, &end # # 0 AMB 20-2:3210 0 AMB 20-1:3210 5.50 (# 3210:20 Double Ambig) &rst ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2233,2241,2110, igr2=2096,2097,2096,2097, &end # # 138 ARG HN 138 ARG HD+ 5.50 (# 3211:20 Unique 3.53, 5.05 A) &rst ixpk= 3211, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2096,2097, &end # # 80 ASP HN 77 ASP HB+ 5.50 (# 3212:20 Unique 3.18, 4.32 A) &rst ixpk= 3212, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1120,1121, &end # # 150 GLN HE2+ 77 ASP HB- 4.50 (# 3214:20 Unique 2.63, 4.26 A) &rst ixpk= 3214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2267,2268, igr2=1120,1121, &end # # 150 GLN HE2- 77 ASP HB- 5.50 (# 3216:20 Unique 2.63, 4.26 A) &rst ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2267,2268, igr2=1120,1121, &end # # 81 ILE HN 80 ASP HB+ 4.50 (# 3217:20 Unique 2.59, 3.52 A) &rst ixpk= 3217, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1158,1159, &end # # 77 ASP HN 80 ASP HB+ 4.50 (# 3218:20 Unique 2.59, 3.58 A) &rst ixpk= 3218, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1158,1159, &end # # 88 THR HN 88 THR HA 4.50 (# 3219:20 Unique 2.73, 2.79 A) &rst ixpk= 3219, nxpk= 20, iat=1281,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 146 GLY HN 0 AMB 20-1:3220 5.50 (# 3220:20 Single Ambig) &rst ixpk= 3220, nxpk= 20, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=2192,2193,2192,2193, &end # # 35 VAL HN 3 ASP HB+ 5.50 (# 3221:20 Unique 3.61, 4.16 A) &rst ixpk= 3221, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 39, 40, &end # # 113 ILE HN 113 ILE HB 4.50 (# 3222:20 Unique 2.51, 2.58 A) &rst ixpk= 3222, nxpk= 20, iat=1682,1686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 THR HN 113 ILE HB 5.50 (# 3223:20 Unique 3.79, 3.88 A) &rst ixpk= 3223, nxpk= 20, iat= 916,1686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3224 113 ILE HB 5.50 (# 3224:20 Single Ambig) &rst ixpk= 3224, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1701,1054, &end # # 136 TYR HD 0 AMB 20-1:3225 5.50 (# 3225:20 Single Ambig) &rst ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2056,2065, igr2= 339, 340, 339, 340, &end # # 133 GLU HN 0 AMB 20-1:3226 5.50 (# 3226:20 Single Ambig) &rst ixpk= 3226, nxpk= 20, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 339, 340, 339, 340, &end # # 0 AMB 20-2:3227 0 AMB 20-1:3227 5.50 (# 3227:20 Double Ambig) &rst ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.56, r4=11.06, igr1= 326,2018,2069,2081,2082, igr2= 339, 340, 339, 340, 339, 340, 339, 340, 339, 340, &end # # 136 TYR HN 0 AMB 20-1:3228 5.50 (# 3228:20 Single Ambig) &rst ixpk= 3228, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 339, 340, 339, 340, &end # # 116 ASP HN 15 ASP HB+ 5.50 (# 3229:20 Unique 2.76, 3.33 A) &rst ixpk= 3229, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 116 ASP HN 15 ASP HB- 5.50 (# 3230:20 Unique 2.76, 3.33 A) &rst ixpk= 3230, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 15 ASP HN 15 ASP HB+ 5.50 (# 3231:20 Unique 2.11, 2.94 A) &rst ixpk= 3231, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 15 ASP HN 15 ASP HB- 5.50 (# 3232:20 Unique 2.11, 2.94 A) &rst ixpk= 3232, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 66 MET HN 65 ASP HB- 5.50 (# 3233:20 Unique 4.18, 4.26 A) &rst ixpk= 3233, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 934, 935, &end # # 111 LEU HN 110 PHE HB- 5.50 (# 3234:20 Unique 3.68, 4.07 A) &rst ixpk= 3234, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1640,1641, &end # # 76 ILE HN 110 PHE HB- 5.50 (# 3235:20 Unique 3.17, 4.09 A) &rst ixpk= 3235, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1640,1641, &end # # 0 AMB 20-2:3236 0 AMB 20-1:3236 5.50 (# 3236:20 Double Ambig) &rst ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 160, 225, igr2= 139, 140, 139, 140, &end # # 118 VAL HN 117 ILE HB 5.50 (# 3237:20 Unique 3.06, 3.46 A) &rst ixpk= 3237, nxpk= 20, iat=1763,1748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 122 TYR HD 117 ILE HB 5.50 (# 3239:20 Unique 2.70, 5.60 A) &rst ixpk= 3239, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1835,1844, &end # # 140 GLU HN 31 LYS HB+ 5.50 (# 3240:20 Unique 2.28, 3.48 A) &rst ixpk= 3240, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 32 GLY HN 31 LYS HB+ 5.50 (# 3241:20 Unique 1.85, 3.03 A) &rst ixpk= 3241, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 139 LEU HN 31 LYS HB+ 5.50 (# 3242:20 Unique 3.21, 4.64 A) &rst ixpk= 3242, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 139 LEU HN 31 LYS HB- 5.50 (# 3243:20 Unique 3.21, 4.64 A) &rst ixpk= 3243, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 151 LEU HN 75 ILE HB 5.50 (# 3244:20 Unique 3.47, 3.56 A) &rst ixpk= 3244, nxpk= 20, iat=2272,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 ASP HN 98 ILE HB 3.50 (# 3245:20 Unique 2.62, 2.80 A) &rst ixpk= 3245, nxpk= 20, iat=1463,1448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 ILE HN 72 GLU HG+ 5.50 (# 3246:20 Unique 4.71, 5.18 A) &rst ixpk= 3246, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1027,1028, &end # # 33 ASN HN 33 ASN HB+ 4.50 (# 3247:20 Unique 2.86, 3.33 A) &rst ixpk= 3247, nxpk= 20, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 436, 437, &end # # 121 TYR HN 121 TYR HB+ 5.50 (# 3249:20 Unique 3.08, 3.70 A) &rst ixpk= 3249, nxpk= 20, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1810,1811, &end # # 122 TYR HN 121 TYR HB+ 5.50 (# 3250:20 Unique 3.87, 4.32 A) &rst ixpk= 3250, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1810,1811, &end # # 122 TYR HN 121 TYR HB- 5.50 (# 3251:20 Unique 3.87, 4.32 A) &rst ixpk= 3251, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1810,1811, &end # # 0 AMB 20-2:3252 0 AMB 20-1:3252 5.50 (# 3252:20 Double Ambig) &rst ixpk= 3252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1788,1829, igr2=1810,1811,1810,1811, &end # # 0 AMB 20-2:3253 121 TYR HB- 5.50 (# 3253:20 Single Ambig) &rst ixpk= 3253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1788,1829, igr2=1810,1811, &end # # 0 AMB 20-2:3254 0 AMB 20-1:3254 5.50 (# 3254:20 Double Ambig) &rst ixpk= 3254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2190,1617, igr2=2182,2183,1593,1594, &end # # 44 GLU HN 44 GLU HG- 4.50 (# 3255:20 Unique 1.76, 2.96 A) &rst ixpk= 3255, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 589, 590, &end # # 44 GLU HN 44 GLU HG+ 5.50 (# 3256:20 Unique 1.76, 2.96 A) &rst ixpk= 3256, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 589, 590, &end # # 66 MET HN 66 MET HB+ 5.50 (# 3257:20 Unique 2.53, 3.14 A) &rst ixpk= 3257, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 946, 947, &end # # 68 LEU HN 66 MET HB- 5.50 (# 3259:20 Unique 2.76, 3.34 A) &rst ixpk= 3259, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 946, 947, &end # # 71 GLY HN 70 PRO HB- 5.50 (# 3260:20 Unique 3.07, 3.50 A) &rst ixpk= 3260, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1006,1007, &end # # 21 LEU HN 20 PRO HB+ 4.50 (# 3261:20 Unique 2.59, 3.33 A) &rst ixpk= 3261, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 256, 257, &end # # 20 PRO HD- 20 PRO HB+ 5.50 (# 3262:20 Unique 2.90, 3.69 A) &rst ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 256, 257, &end # # 124 MET HA 124 MET HG- 4.50 (# 3263:20 Unique 2.44, 2.80 A) &rst ixpk= 3263, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1869,1870, &end # # 124 MET HA 124 MET HG+ 4.50 (# 3264:20 Unique 2.44, 2.80 A) &rst ixpk= 3264, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1869,1870, &end # # 15 ASP HA 124 MET HG+ 4.50 (# 3265:20 Unique 1.97, 2.80 A) &rst ixpk= 3265, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1869,1870, &end # # 129 LYS HN 124 MET HG- 5.50 (# 3266:20 Unique 2.69, 3.48 A) &rst ixpk= 3266, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1869,1870, &end # # 129 LYS HN 124 MET HG+ 5.50 (# 3267:20 Unique 2.69, 3.48 A) &rst ixpk= 3267, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1869,1870, &end # # 0 AMB 20-2:3268 124 MET HG- 5.50 (# 3268:20 Single Ambig) &rst ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1862,1744, igr2=1869,1870, &end # # 93 PRO HD- 93 PRO HB+ 4.50 (# 3269:20 Unique 2.75, 3.66 A) &rst ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1358,1359, igr2=1364,1365, &end # # 125 THR HN 124 MET HG- 5.50 (# 3270:20 Unique 2.64, 2.94 A) &rst ixpk= 3270, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1869,1870, &end # # 125 THR HN 124 MET HG+ 5.50 (# 3271:20 Unique 2.64, 2.94 A) &rst ixpk= 3271, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1869,1870, &end # # 66 MET HN 66 MET HG+ 5.50 (# 3272:20 Unique 2.76, 3.51 A) &rst ixpk= 3272, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 949, 950, &end # # 0 AMB 20-2:3273 0 AMB 20-1:3273 5.50 (# 3273:20 Double Ambig) &rst ixpk= 3273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1943,1492,1475, igr2=1953,1954,1454,1455, &end # # 0 AMB 20-2:3274 129 LYS HD- 5.50 (# 3274:20 Single Ambig) &rst ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1943,2003, igr2=1953,1954, &end # # 126 GLN HE2+ 129 LYS HD+ 5.50 (# 3275:20 Unique 2.95, 4.71 A) &rst ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1905,1906, igr2=1953,1954, &end # # 126 GLN HE2+ 129 LYS HD- 5.50 (# 3276:20 Unique 2.95, 4.71 A) &rst ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1905,1906, igr2=1953,1954, &end # # 136 TYR HD 25 LYS HD- 5.50 (# 3277:20 Unique 2.71, 3.94 A) &rst ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2056,2065, igr2= 336, 337, &end # # 126 GLN HE2- 129 LYS HD- 5.50 (# 3278:20 Unique 2.95, 4.71 A) &rst ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1905,1906, igr2=1953,1954, &end # # 102 LYS HN 0 AMB 20-1:3279 4.50 (# 3279:20 Single Ambig) &rst ixpk= 3279, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1521,1522,1521,1522, &end # # 32 GLY HN 140 GLU HB- 5.50 (# 3280:20 Unique 1.76, 3.11 A) &rst ixpk= 3280, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2133,2134, &end # # 44 GLU HN 44 GLU HB+ 4.50 (# 3281:20 Unique 2.44, 3.18 A) &rst ixpk= 3281, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 586, 587, &end # # 44 GLU HN 44 GLU HB- 4.50 (# 3282:20 Unique 2.44, 3.18 A) &rst ixpk= 3282, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 586, 587, &end # # 0 AMB 20-2:3283 0 AMB 20-1:3283 5.50 (# 3283:20 Double Ambig) &rst ixpk= 3283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1013,1636,1617, igr2=1003,1004,1132,1133,1132,1133, &end # # 79 ASP HN 78 PRO HG+ 4.50 (# 3284:20 Unique 2.94, 4.12 A) &rst ixpk= 3284, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1132,1133, &end # # 116 ASP HB+ 70 PRO HG- 5.50 (# 3285:20 Unique 2.18, 4.14 A) &rst ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1736,1737, igr2=1003,1004, &end # # 73 ILE QG2 113 ILE HG1- 5.50 (# 3286:20 Unique 2.45, 3.89 A) &rst ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1041,1042,1043, igr2=1692,1693, &end # # 59 LEU MDX 5 LEU MDX 5.50 (# 3287:20 Unique 2.26, 6.12 A) &rst ixpk= 3287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 849, 850, 851, 853, 854, 855, igr2= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDX 111 LEU MDY 5.50 (# 3288:20 Unique 2.67, 5.82 A) &rst ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 849, 850, 851, 853, 854, 855, igr2=1665,1666,1667,1669,1670,1671, &end # # 139 LEU HG 5 LEU MDX 5.50 (# 3289:20 Unique 2.53, 4.95 A) &rst ixpk= 3289, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:3291 5 LEU MDX 5.50 (# 3291:20 Single Ambig) &rst ixpk= 3291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 352, 353, 450, 451, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:3292 5 LEU MDX 5.50 (# 3292:20 Single Ambig) &rst ixpk= 3292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 352, 353, 450, 451, igr2= 72, 73, 74, 76, 77, 78, &end # # 23 ALA HA 5 LEU MDX 5.50 (# 3293:20 Unique 3.06, 5.79 A) &rst ixpk= 3293, nxpk= 20, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 36 VAL HA 5 LEU MDX 5.50 (# 3294:20 Unique 2.40, 4.93 A) &rst ixpk= 3294, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 5 LEU HA 5 LEU MDX 5.50 (# 3295:20 Unique 2.30, 3.96 A) &rst ixpk= 3295, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 135 VAL HB 111 LEU MDY 5.50 (# 3296:20 Unique 2.35, 4.54 A) &rst ixpk= 3296, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 113 ILE HA 111 LEU MDY 5.50 (# 3298:20 Unique 4.53, 6.54 A) &rst ixpk= 3298, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 112 GLY HA+ 111 LEU MDY 5.50 (# 3299:20 Unique 3.85, 6.51 A) &rst ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1677,1678, igr2=1665,1666,1667,1669,1670,1671, &end # # 62 ASP HN 111 LEU MDY 5.50 (# 3301:20 Unique 3.81, 6.04 A) &rst ixpk= 3301, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 73 ILE HN 111 LEU MDY 5.50 (# 3302:20 Unique 6.17, 7.49 A) &rst ixpk= 3302, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 74 ARG HN 111 LEU MDY 5.50 (# 3303:20 Unique 3.99, 5.25 A) &rst ixpk= 3303, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:3304 111 LEU MDY 4.50 (# 3304:20 Single Ambig) &rst ixpk= 3304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1675,2245, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:3305 0 AMB 20-1:3305 5.50 (# 3305:20 Double Ambig) &rst ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 521, 486, 101, igr2= 512, 513, 512, 513, 512, 513, &end # # 0 AMB 20-2:3306 37 ILE HG1- 5.50 (# 3306:20 Single Ambig) &rst ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 521, 486, 101, igr2= 512, 513, &end # # 37 ILE HN 37 ILE HG1+ 5.50 (# 3307:20 Unique 3.05, 3.55 A) &rst ixpk= 3307, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 512, 513, &end # # 37 ILE HN 37 ILE HG1- 5.50 (# 3308:20 Unique 3.05, 3.55 A) &rst ixpk= 3308, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 512, 513, &end # # 112 GLY HN 111 LEU HG 5.50 (# 3309:20 Unique 3.19, 3.32 A) &rst ixpk= 3309, nxpk= 20, iat=1675,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3310 109 ILE HG1- 4.50 (# 3310:20 Single Ambig) &rst ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1617,1636, igr2=1627,1628, &end # # 0 AMB 20-2:3311 113 ILE HG1- 5.50 (# 3311:20 Single Ambig) &rst ixpk= 3311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1054,1701, igr2=1692,1693, &end # # 11 SER HN 20 PRO HG- 4.50 (# 3312:20 Unique 2.47, 3.20 A) &rst ixpk= 3312, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 253, 254, &end # # 44 GLU HN 0 AMB 20-1:3313 5.50 (# 3313:20 Single Ambig) &rst ixpk= 3313, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 572, 573, 572, 573, &end # # 11 SER HN 20 PRO HG+ 5.50 (# 3314:20 Unique 2.47, 3.20 A) &rst ixpk= 3314, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 253, 254, &end # # 60 ILE HN 60 ILE HG1+ 4.50 (# 3315:20 Unique 2.62, 3.54 A) &rst ixpk= 3315, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 869, 870, &end # # 51 ARG HN 51 ARG HG+ 5.50 (# 3316:20 Unique 2.64, 3.29 A) &rst ixpk= 3316, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 694, 695, &end # # 51 ARG HE 51 ARG HG+ 5.50 (# 3318:20 Unique 2.50, 2.74 A) &rst ixpk= 3318, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 694, 695, &end # # 54 ARG HN 0 AMB 20-1:3319 4.50 (# 3319:20 Single Ambig) &rst ixpk= 3319, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 749, 750, 773, 774, &end # # 73 ILE HN 73 ILE HG1+ 4.50 (# 3320:20 Unique 2.79, 3.45 A) &rst ixpk= 3320, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1045,1046, &end # # 0 AMB 20-2:3321 0 AMB 20-1:3321 5.50 (# 3321:20 Double Ambig) &rst ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1054,1701, igr2=1045,1046,1045,1046, &end # # 138 ARG HN 137 GLN HB+ 5.50 (# 3322:20 Unique 3.21, 4.16 A) &rst ixpk= 3322, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2073,2074, &end # # 96 TYR HD 44 GLU HB- 5.50 (# 3323:20 Unique 4.35, 6.22 A) &rst ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2= 586, 587, &end # # 96 TYR HE 44 GLU HB- 5.50 (# 3324:20 Unique 2.19, 4.65 A) &rst ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1414,1419, igr2= 586, 587, &end # # 0 AMB 20-2:3325 111 LEU MDX 5.50 (# 3325:20 Single Ambig) &rst ixpk= 3325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 894,2032, igr2=1665,1666,1667,1669,1670,1671, &end # # 75 ILE HN 111 LEU MDX 5.50 (# 3326:20 Unique 5.12, 6.76 A) &rst ixpk= 3326, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 74 ARG HN 111 LEU MDX 5.50 (# 3327:20 Unique 3.99, 5.25 A) &rst ixpk= 3327, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:3328 111 LEU MDX 4.50 (# 3328:20 Single Ambig) &rst ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1675, 859,2245, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:3329 22 LEU MDX 5.50 (# 3329:20 Single Ambig) &rst ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 878,2032, 311, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:3331 0 AMB 20-1:3331 4.50 (# 3331:20 Double Ambig) &rst ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 840,1675, 859, igr2= 830, 831, 832, 834, 835, 836,1107,1108, 869, 870, &end # # 6 LEU HN 5 LEU HG 5.50 (# 3332:20 Unique 3.11, 3.61 A) &rst ixpk= 3332, nxpk= 20, iat= 82, 70, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ARG HE 0 AMB 20-1:3333 4.50 (# 3333:20 Single Ambig) &rst ixpk= 3333, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 804, 805, 804, 805, &end # # 58 LEU HN 0 AMB 20-1:3334 4.50 (# 3334:20 Single Ambig) &rst ixpk= 3334, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 804, 805, 804, 805, &end # # 6 LEU HN 58 LEU MDY 5.50 (# 3335:20 Unique 2.81, 4.98 A) &rst ixpk= 3335, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:3336 0 AMB 20-1:3336 4.50 (# 3336:20 Double Ambig) &rst ixpk= 3336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 611, 878, igr2= 91, 92, 93, 95, 96, 97,1501,1502,1503,1505, 1506,1507, &end # # 0 AMB 20-2:3338 59 LEU MDY 5.50 (# 3338:20 Single Ambig) &rst ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2161, 82, igr2= 849, 850, 851, 853, 854, 855, &end # # 31 LYS HN 31 LYS HG+ 5.50 (# 3342:20 Unique 1.79, 2.96 A) &rst ixpk= 3342, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 410, 411, &end # # 32 GLY HN 31 LYS HG+ 5.50 (# 3343:20 Unique 4.29, 4.89 A) &rst ixpk= 3343, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 410, 411, &end # # 6 LEU HN 6 LEU MDY 5.50 (# 3344:20 Unique 4.83, 5.44 A) &rst ixpk= 3344, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 91, 92, 93, 95, 96, 97, &end # # 37 ILE HN 6 LEU MDY 5.50 (# 3345:20 Unique 4.50, 6.64 A) &rst ixpk= 3345, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 91, 92, 93, 95, 96, 97, &end # # 47 ILE HN 48 VAL MGY 5.50 (# 3347:20 Unique 4.23, 6.35 A) &rst ixpk= 3347, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 648, 649, 650, 652, 653, 654, &end # # 126 GLN HN 125 THR MG2 5.50 (# 3348:20 Unique 2.38, 4.40 A) &rst ixpk= 3348, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1885,1886,1887, &end # # 116 ASP HN 125 THR MG2 5.50 (# 3349:20 Unique 4.49, 5.55 A) &rst ixpk= 3349, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1885,1886,1887, &end # # 128 ILE HN 125 THR MG2 5.50 (# 3350:20 Unique 5.10, 5.64 A) &rst ixpk= 3350, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1885,1886,1887, &end # # 140 GLU HN 139 LEU MDY 5.50 (# 3351:20 Unique 4.54, 5.61 A) &rst ixpk= 3351, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 130 ASP HN 131 ALA MB 5.50 (# 3353:20 Unique 4.64, 5.37 A) &rst ixpk= 3353, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1981,1982,1983, &end # # 128 ILE HN 131 ALA MB 5.50 (# 3354:20 Unique 4.82, 5.65 A) &rst ixpk= 3354, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1981,1982,1983, &end # # 0 AMB 20-2:3355 131 ALA MB 5.50 (# 3355:20 Single Ambig) &rst ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1701,1054, igr2=1981,1982,1983, &end # # 71 GLY HN 131 ALA MB 5.50 (# 3356:20 Unique 4.56, 5.04 A) &rst ixpk= 3356, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1981,1982,1983, &end # # 0 AMB 20-2:3357 109 ILE QG2 4.50 (# 3357:20 Single Ambig) &rst ixpk= 3357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 859,1675, igr2=1623,1624,1625, &end # # 142 TRP HE1 109 ILE QG2 5.50 (# 3358:20 Unique 3.05, 4.97 A) &rst ixpk= 3358, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1623,1624,1625, &end # # 41 SER HN 42 ALA MB 5.50 (# 3359:20 Unique 4.37, 5.04 A) &rst ixpk= 3359, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 562, 563, 564, &end # # 0 AMB 20-2:3360 149 ALA MB 5.50 (# 3360:20 Single Ambig) &rst ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2272,1054, igr2=2249,2250,2251, &end # # 74 ARG HE 149 ALA MB 5.50 (# 3361:20 Unique 3.61, 4.61 A) &rst ixpk= 3361, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2249,2250,2251, &end # # 148 PHE HD 149 ALA MB 5.50 (# 3362:20 Unique 5.07, 7.18 A) &rst ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2233,2241, igr2=2249,2250,2251, &end # # 53 LEU HN 50 ILE QG2 5.50 (# 3364:20 Unique 4.93, 5.65 A) &rst ixpk= 3364, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 674, 675, 676, &end # # 39 GLY HN 23 ALA MB 5.50 (# 3365:20 Unique 5.40, 6.34 A) &rst ixpk= 3365, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 305, 306, 307, &end # # 58 LEU HN 105 ILE QD1 5.50 (# 3366:20 Unique 4.34, 5.34 A) &rst ixpk= 3366, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 106 GLY HN 105 ILE QD1 5.50 (# 3367:20 Unique 5.29, 5.90 A) &rst ixpk= 3367, nxpk= 20, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 58 LEU HN 109 ILE QD1 5.50 (# 3368:20 Unique 3.20, 4.40 A) &rst ixpk= 3368, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1630,1631,1632, &end # # 0 AMB 20-2:3369 109 ILE QD1 5.50 (# 3369:20 Single Ambig) &rst ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1601,2197, igr2=1630,1631,1632, &end # # 148 PHE HD 73 ILE QD1 5.50 (# 3370:20 Unique 3.67, 6.26 A) &rst ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2233,2241, igr2=1048,1049,1050, &end # # 135 VAL HN 73 ILE QD1 4.50 (# 3371:20 Unique 4.45, 5.36 A) &rst ixpk= 3371, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1048,1049,1050, &end # # 0 AMB 20-2:3372 73 ILE QD1 5.50 (# 3372:20 Single Ambig) &rst ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1054,1701, igr2=1048,1049,1050, &end # # 5 LEU HN 5 LEU MDX 5.50 (# 3373:20 Unique 4.25, 5.37 A) &rst ixpk= 3373, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:3374 75 ILE QG2 5.50 (# 3374:20 Single Ambig) &rst ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1656,1675,2245, igr2=1084,1085,1086, &end # # 0 AMB 20-2:3375 59 LEU HG 5.50 (# 3375:20 Single Ambig) &rst ixpk= 3375, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 840,1656, &end # # 19 GLY HN 61 VAL MGX 5.50 (# 3376:20 Unique 3.89, 6.31 A) &rst ixpk= 3376, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 4 VAL HN 58 LEU MDY 4.50 (# 3377:20 Unique 4.13, 6.18 A) &rst ixpk= 3377, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:3378 76 ILE HG1- 5.50 (# 3378:20 Single Ambig) &rst ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2272,1054, igr2=1107,1108, &end # # 15 ASP HN 118 VAL MGY 5.50 (# 3379:20 Unique 2.82, 4.56 A) &rst ixpk= 3379, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1769,1770,1771,1773,1774,1775, &end # # 6 LEU HN 5 LEU MDX 5.50 (# 3380:20 Unique 2.13, 4.53 A) &rst ixpk= 3380, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:3381 59 LEU MDX 5.50 (# 3381:20 Single Ambig) &rst ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2117,2036, igr2= 849, 850, 851, 853, 854, 855, &end # # 61 VAL HB 61 VAL MGY 2.80 (# 3382:20 Unique 2.35, 2.66 A) &rst ixpk= 3382, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:3383 75 ILE QG2 5.50 (# 3383:20 Single Ambig) &rst ixpk= 3383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1640,1641,1064,1065, igr2=1084,1085,1086, &end # # 131 ALA MB 73 ILE HG1- 5.50 (# 3384:20 Unique 2.13, 3.44 A) &rst ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1981,1982,1983, igr2=1045,1046, &end # # 0 AMB 20-2:3385 73 ILE HG1- 3.50 (# 3385:20 Single Ambig) &rst ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050, igr2=1045,1046, &end # # 31 LYS HE- 31 LYS HD+ 4.50 (# 3386:20 Unique 2.31, 2.72 A) &rst ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 416, 417, igr2= 413, 414, &end # # 0 AMB 20-2:3387 22 LEU MDX 2.80 (# 3387:20 Single Ambig) &rst ixpk= 3387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 289, 330, 331, igr2= 291, 292, 293, 295, 296, 297, &end # # 61 VAL HB 22 LEU MDX 3.50 (# 3388:20 Unique 2.17, 4.19 A) &rst ixpk= 3388, nxpk= 20, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 291, 292, 293, 295, 296, 297, &end # # 26 CYS HB+ 22 LEU MDX 5.50 (# 3389:20 Unique 2.83, 6.21 A) &rst ixpk= 3389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 352, 353, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:3390 25 LYS HD- 5.50 (# 3390:20 Single Ambig) &rst ixpk= 3390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1=1991, 315, 316, 315, 316, igr2= 336, 337, &end # # 28 ALA HN 25 LYS HA 5.50 (# 3391:20 Unique 3.34, 3.39 A) &rst ixpk= 3391, nxpk= 20, iat= 369, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU HN 20 PRO HA 5.50 (# 3392:20 Unique 3.91, 4.07 A) &rst ixpk= 3392, nxpk= 20, iat= 311, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 HIS HB+ 89 THR HB 5.50 (# 3393:20 Unique 3.60, 4.82 A) &rst ixpk= 3393, nxpk= 20, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 60 ILE HN 59 LEU MDX 5.50 (# 3395:20 Unique 1.94, 4.29 A) &rst ixpk= 3395, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 109 ILE HG1+ 59 LEU MDX 5.50 (# 3396:20 Unique 3.92, 6.63 A) &rst ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1627,1628, igr2= 849, 850, 851, 853, 854, 855, &end # # 139 LEU HA 59 LEU MDX 5.50 (# 3397:20 Unique 4.23, 6.28 A) &rst ixpk= 3397, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:3398 59 LEU MDX 5.50 (# 3398:20 Single Ambig) &rst ixpk= 3398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1638,2199, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:3399 59 LEU MDX 5.50 (# 3399:20 Single Ambig) &rst ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2161, 82, igr2= 849, 850, 851, 853, 854, 855, &end # # 142 TRP HD1 59 LEU MDX 5.50 (# 3401:20 Unique 2.77, 5.56 A) &rst ixpk= 3401, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 58 LEU HA 59 LEU MDX 5.50 (# 3402:20 Unique 6.25, 7.21 A) &rst ixpk= 3402, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:3403 0 AMB 20-1:3403 5.50 (# 3403:20 Double Ambig) &rst ixpk= 3403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 339, 340, 339, 340, igr2= 333, 334, 333, 334, &end # # 25 LYS HN 25 LYS HG+ 5.50 (# 3404:20 Unique 2.22, 2.87 A) &rst ixpk= 3404, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 333, 334, &end # # 0 AMB 20-2:3405 0 AMB 20-1:3405 5.50 (# 3405:20 Double Ambig) &rst ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 348, 359, igr2= 333, 334, 333, 334, &end # # 0 AMB 20-2:3406 0 AMB 20-1:3406 5.50 (# 3406:20 Double Ambig) &rst ixpk= 3406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 934, 935, 205, 206, igr2=1722,1723,1722,1723, &end # # 128 ILE QD1 125 THR HB 5.50 (# 3407:20 Unique 2.19, 4.52 A) &rst ixpk= 3407, nxpk= 20, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1937,1938,1939, &end # # 0 AMB 20-2:3409 64 THR HB 5.50 (# 3409:20 Single Ambig) &rst ixpk= 3409, nxpk= 20, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1675, 942, &end # # 76 ILE HN 81 ILE QD1 5.50 (# 3410:20 Unique 4.48, 5.70 A) &rst ixpk= 3410, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1179,1180,1181, &end # # 118 VAL HN 117 ILE QG2 5.50 (# 3411:20 Unique 4.59, 5.28 A) &rst ixpk= 3411, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1750,1751,1752, &end # # 122 TYR HD 117 ILE QG2 5.50 (# 3412:20 Unique 4.55, 7.67 A) &rst ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1835,1844, igr2=1750,1751,1752, &end # # 0 AMB 20-2:3414 2 THR HB 5.50 (# 3414:20 Single Ambig) &rst ixpk= 3414, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 37, 799, &end # # 0 AMB 20-2:3415 2 THR HB 5.50 (# 3415:20 Single Ambig) &rst ixpk= 3415, nxpk= 20, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 21, 35, &end # # 145 ASN HD2+ 75 ILE QD1 5.50 (# 3416:20 Unique 4.48, 5.42 A) &rst ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2206,2207, igr2=1091,1092,1093, &end # # 0 AMB 20-2:3418 135 VAL HA 5.50 (# 3418:20 Single Ambig) &rst ixpk= 3418, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2096,2097,2229,2230, &end # # 132 VAL HA 135 VAL HA 5.50 (# 3419:20 Unique 5.39, 5.52 A) &rst ixpk= 3419, nxpk= 20, iat=1989,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 138 ARG HA 135 VAL HA 5.50 (# 3420:20 Unique 5.06, 5.27 A) &rst ixpk= 3420, nxpk= 20, iat=2088,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3421 132 VAL HA 5.50 (# 3421:20 Single Ambig) &rst ixpk= 3421, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 286, 287, 339, 340, 339, 340, &end # # 0 AMB 20-2:3423 132 VAL HA 5.50 (# 3423:20 Single Ambig) &rst ixpk= 3423, nxpk= 20, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1979,2005, &end # # 51 ARG HA 48 VAL HA 5.50 (# 3424:20 Unique 5.11, 5.24 A) &rst ixpk= 3424, nxpk= 20, iat= 689, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 53 LEU HB- 50 ILE HA 5.50 (# 3427:20 Unique 3.08, 4.03 A) &rst ixpk= 3427, nxpk= 20, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 730, 731, &end # # 152 ALA HA 153 VAL HA 5.50 (# 3428:20 Unique 4.20, 4.52 A) &rst ixpk= 3428, nxpk= 20, iat=2293,2303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 113 ILE QG2 115 PRO HA 5.50 (# 3429:20 Unique 4.31, 5.40 A) &rst ixpk= 3429, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1688,1689,1690, &end # # 61 VAL HN 7 CYS HA 5.50 (# 3430:20 Unique 2.89, 3.05 A) &rst ixpk= 3430, nxpk= 20, iat= 878, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 CYS HN 7 CYS HA 5.50 (# 3431:20 Unique 2.91, 2.93 A) &rst ixpk= 3431, nxpk= 20, iat= 101, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3432 93 PRO HA 5.50 (# 3432:20 Single Ambig) &rst ixpk= 3432, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1408,1409,1408,1409, &end # # 0 AMB 20-2:3433 93 PRO HA 2.80 (# 3433:20 Single Ambig) &rst ixpk= 3433, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1364,1365,1361,1362,1361,1362, &end # # 63 ALA MB 115 PRO HD+ 5.50 (# 3434:20 Unique 2.34, 4.35 A) &rst ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 910, 911, 912, igr2=1719,1720, &end # # 53 LEU HB- 55 PRO HD- 5.50 (# 3435:20 Unique 2.26, 4.13 A) &rst ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 730, 731, igr2= 770, 771, &end # # 7 CYS HB+ 19 GLY HA+ 5.50 (# 3437:20 Unique 2.67, 3.76 A) &rst ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 105, 106, igr2= 244, 245, &end # # 10 ASN HD2+ 10 ASN HB+ 5.50 (# 3441:20 Unique 2.21, 3.17 A) &rst ixpk= 3441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 144, 145, igr2= 139, 140, &end # # 148 PHE HA 148 PHE HB- 3.50 (# 3442:20 Unique 2.50, 2.79 A) &rst ixpk= 3442, nxpk= 20, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2229,2230, &end # # 73 ILE QG2 148 PHE HB+ 5.50 (# 3443:20 Unique 2.72, 4.56 A) &rst ixpk= 3443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1041,1042,1043, igr2=2229,2230, &end # # 73 ILE QG2 148 PHE HB- 5.50 (# 3444:20 Unique 2.72, 4.56 A) &rst ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1041,1042,1043, igr2=2229,2230, &end # # 111 LEU MDX 148 PHE HB+ 5.50 (# 3445:20 Unique 2.98, 5.29 A) &rst ixpk= 3445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1665,1666,1667,1669,1670,1671, igr2=2229,2230, &end # # 111 LEU MDX 148 PHE HB- 5.50 (# 3446:20 Unique 2.98, 5.29 A) &rst ixpk= 3446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1665,1666,1667,1669,1670,1671, igr2=2229,2230, &end # # 75 ILE QD1 148 PHE HB+ 4.50 (# 3447:20 Unique 2.18, 3.39 A) &rst ixpk= 3447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1091,1092,1093, igr2=2229,2230, &end # # 80 ASP HN 79 ASP HB+ 5.50 (# 3448:20 Unique 3.04, 3.72 A) &rst ixpk= 3448, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1146,1147, &end # # 118 VAL MGY 118 VAL HA 2.80 (# 3449:20 Unique 2.35, 3.20 A) &rst ixpk= 3449, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:3450 118 VAL HA 4.50 (# 3450:20 Single Ambig) &rst ixpk= 3450, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 205, 206,1831,1832, &end # # 16 ASP HN 118 VAL HA 5.50 (# 3451:20 Unique 3.49, 3.55 A) &rst ixpk= 3451, nxpk= 20, iat= 213,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ILE QD1 118 VAL HA 4.50 (# 3452:20 Unique 2.87, 4.04 A) &rst ixpk= 3452, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1757,1758,1759, &end # # 58 LEU HN 58 LEU HA 5.50 (# 3454:20 Unique 2.97, 2.98 A) &rst ixpk= 3454, nxpk= 20, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3455 0 AMB 20-1:3455 5.50 (# 3455:20 Double Ambig) &rst ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 804, 805, 804, 805, igr2=1581,1582,1581,1582, &end # # 16 ASP HN 14 GLY HA+ 5.50 (# 3456:20 Unique 3.57, 4.14 A) &rst ixpk= 3456, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, &end # # 16 ASP HN 14 GLY HA- 5.50 (# 3457:20 Unique 3.57, 4.14 A) &rst ixpk= 3457, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, &end # # 0 AMB 20-2:3458 0 AMB 20-1:3458 2.80 (# 3458:20 Double Ambig) &rst ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=2197, 194, igr2=2192,2193, 196, 197, &end # # 119 GLY HN 14 GLY HA+ 5.50 (# 3459:20 Unique 2.89, 3.71 A) &rst ixpk= 3459, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, &end # # 119 GLY HN 14 GLY HA- 5.50 (# 3460:20 Unique 2.89, 3.71 A) &rst ixpk= 3460, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, &end # # 141 GLY HN 141 GLY HA- 5.50 (# 3461:20 Unique 2.54, 2.80 A) &rst ixpk= 3461, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2146,2147, &end # # 142 TRP HN 141 GLY HA+ 5.50 (# 3462:20 Unique 2.87, 3.33 A) &rst ixpk= 3462, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2146,2147, &end # # 142 TRP HN 141 GLY HA- 5.50 (# 3463:20 Unique 2.87, 3.33 A) &rst ixpk= 3463, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2146,2147, &end # # 141 GLY HN 141 GLY HA+ 5.50 (# 3464:20 Unique 2.54, 2.80 A) &rst ixpk= 3464, nxpk= 20, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2146,2147, &end # # 31 LYS HG- 31 LYS HE+ 3.50 (# 3465:20 Unique 2.32, 3.08 A) &rst ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 410, 411, igr2= 416, 417, &end # # 31 LYS HD+ 31 LYS HE+ 3.50 (# 3466:20 Unique 2.31, 2.72 A) &rst ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 413, 414, igr2= 416, 417, &end # # 137 GLN HA 31 LYS HE+ 3.50 (# 3467:20 Unique 2.25, 3.75 A) &rst ixpk= 3467, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 416, 417, &end # # 136 TYR HD 31 LYS HE+ 5.50 (# 3469:20 Unique 3.09, 4.56 A) &rst ixpk= 3469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2056,2065, igr2= 416, 417, &end # # 0 AMB 20-2:3470 0 AMB 20-1:3470 5.50 (# 3470:20 Double Ambig) &rst ixpk= 3470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2052,2053,2052,2053, igr2= 339, 340, 339, 340, &end # # 0 AMB 20-2:3471 25 LYS HG- 5.50 (# 3471:20 Single Ambig) &rst ixpk= 3471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 348, 359, igr2= 333, 334, &end # # 48 VAL HN 47 ILE HB 3.50 (# 3472:20 Unique 2.60, 2.65 A) &rst ixpk= 3472, nxpk= 20, iat= 642, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 150 GLN HN 150 GLN HB- 3.50 (# 3473:20 Unique 2.23, 2.62 A) &rst ixpk= 3473, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2259,2260, &end # # 150 GLN HN 150 GLN HB+ 3.50 (# 3474:20 Unique 2.23, 2.62 A) &rst ixpk= 3474, nxpk= 20, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2259,2260, &end # # 0 AMB 20-2:3475 0 AMB 20-1:3475 4.50 (# 3475:20 Double Ambig) &rst ixpk= 3475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1701,2272, igr2=1705,1706,1705,1706,2259,2260, &end # # 45 ASN HN 42 ALA MB 5.50 (# 3476:20 Unique 3.38, 4.55 A) &rst ixpk= 3476, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 562, 563, 564, &end # # 0 AMB 20-2:3477 109 ILE QG2 5.50 (# 3477:20 Single Ambig) &rst ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2201,2202,2229,2230, igr2=1623,1624,1625, &end # # 145 ASN HB+ 109 ILE QG2 5.50 (# 3478:20 Unique 3.73, 6.47 A) &rst ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2201,2202, igr2=1623,1624,1625, &end # # 73 ILE QG2 66 MET ME 5.50 (# 3479:20 Unique 5.89, 7.82 A) &rst ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2= 953, 954, 955, &end # # 2 THR HB 2 THR HA 5.50 (# 3488:20 Unique 3.01, 3.03 A) &rst ixpk= 3488, nxpk= 20, iat= 25, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ASP HB+ 2 THR HA 5.50 (# 3489:20 Unique 4.09, 4.93 A) &rst ixpk= 3489, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 39, 40, &end # # 57 ARG HN 2 THR HB 5.50 (# 3490:20 Unique 4.53, 4.59 A) &rst ixpk= 3490, nxpk= 20, iat= 797, 25, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ASP HA 2 THR MG2 4.50 (# 3491:20 Unique 3.98, 5.37 A) &rst ixpk= 3491, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 27, 28, 29, &end # # 85 PHE HD 88 THR MG2 5.50 (# 3493:20 Unique 3.62, 7.07 A) &rst ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1235,1243, igr2=1287,1288,1289, &end # # 53 LEU HN 2 THR MG2 5.50 (# 3494:20 Unique 5.67, 6.67 A) &rst ixpk= 3494, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 27, 28, 29, &end # # 35 VAL HN 2 THR MG2 5.50 (# 3495:20 Unique 3.65, 5.15 A) &rst ixpk= 3495, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 27, 28, 29, &end # # 94 LEU HA 94 LEU HB- 4.50 (# 3496:20 Unique 2.53, 2.85 A) &rst ixpk= 3496, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1375,1376, &end # # 36 VAL HA 4 VAL MGY 5.50 (# 3497:20 Unique 4.23, 6.37 A) &rst ixpk= 3497, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 53, 54, 55, 57, 58, 59, &end # # 58 LEU HA 4 VAL MGY 5.50 (# 3498:20 Unique 2.14, 4.96 A) &rst ixpk= 3498, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:3499 4 VAL MGY 5.50 (# 3499:20 Single Ambig) &rst ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 797, 726, igr2= 53, 54, 55, 57, 58, 59, &end # # 4 VAL HN 4 VAL MGX 5.50 (# 3500:20 Unique 2.18, 4.18 A) &rst ixpk= 3500, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 53, 54, 55, 57, 58, 59, &end # # 5 LEU HN 5 LEU HA 4.50 (# 3501:20 Unique 2.97, 2.98 A) &rst ixpk= 3501, nxpk= 20, iat= 63, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU HN 5 LEU HB+ 4.50 (# 3502:20 Unique 2.28, 2.84 A) &rst ixpk= 3502, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 7 CYS HN 5 LEU MDX 5.50 (# 3505:20 Unique 2.62, 5.35 A) &rst ixpk= 3505, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 22 LEU HB+ 5 LEU MDX 5.50 (# 3506:20 Unique 5.16, 6.56 A) &rst ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 286, 287, igr2= 72, 73, 74, 76, 77, 78, &end # # 7 CYS HN 5 LEU MDY 5.50 (# 3507:20 Unique 2.62, 5.35 A) &rst ixpk= 3507, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 34 TRP HB+ 5 LEU MDY 5.50 (# 3510:20 Unique 3.44, 5.67 A) &rst ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 450, 451, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:3511 5 LEU MDY 5.50 (# 3511:20 Single Ambig) &rst ixpk= 3511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 352, 353, 450, 451, igr2= 72, 73, 74, 76, 77, 78, &end # # 139 LEU HG 5 LEU MDY 5.50 (# 3512:20 Unique 2.53, 4.95 A) &rst ixpk= 3512, nxpk= 20, iat=2117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 59 LEU MDX 59 LEU HA 5.50 (# 3513:20 Unique 2.32, 4.01 A) &rst ixpk= 3513, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:3514 13 MET HA 5.50 (# 3514:20 Single Ambig) &rst ixpk= 3514, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1786, 160, &end # # 109 ILE HN 59 LEU HA 4.50 (# 3515:20 Unique 2.67, 2.79 A) &rst ixpk= 3515, nxpk= 20, iat=1617, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 LEU HN 6 LEU HA 4.50 (# 3516:20 Unique 2.96, 2.99 A) &rst ixpk= 3516, nxpk= 20, iat= 82, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 LEU HN 6 LEU HG 5.50 (# 3517:20 Unique 4.22, 4.27 A) &rst ixpk= 3517, nxpk= 20, iat= 82, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 113 ILE HN 113 ILE HG1- 5.50 (# 3518:20 Unique 3.04, 3.67 A) &rst ixpk= 3518, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1692,1693, &end # # 0 AMB 20-2:3519 0 AMB 20-1:3519 4.50 (# 3519:20 Double Ambig) &rst ixpk= 3519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1056, 84, igr2=1061,1062, 89, &end # # 0 AMB 20-2:3520 113 ILE HG1- 5.50 (# 3520:20 Single Ambig) &rst ixpk= 3520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1677,1678, 908, igr2=1692,1693, &end # # 58 LEU HA 58 LEU HG 5.50 (# 3521:20 Unique 3.17, 3.30 A) &rst ixpk= 3521, nxpk= 20, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HN 6 LEU MDX 5.50 (# 3522:20 Unique 4.83, 5.44 A) &rst ixpk= 3522, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 91, 92, 93, 95, 96, 97, &end # # 59 LEU HN 6 LEU MDX 5.50 (# 3523:20 Unique 6.45, 7.87 A) &rst ixpk= 3523, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:3524 6 LEU MDX 5.50 (# 3524:20 Single Ambig) &rst ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 101, 521, igr2= 91, 92, 93, 95, 96, 97, &end # # 5 LEU MDY 135 VAL MGX 4.50 (# 3525:20 Unique 4.04, 7.48 A) &rst ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 72, 73, 74, 76, 77, 78, igr2=2038,2039,2040,2042,2043,2044, &end # # 7 CYS HB- 7 CYS HA 4.50 (# 3527:20 Unique 2.23, 2.74 A) &rst ixpk= 3527, nxpk= 20, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 105, 106, &end # # 61 VAL HB 7 CYS HA 4.50 (# 3528:20 Unique 2.96, 3.14 A) &rst ixpk= 3528, nxpk= 20, iat= 882, 103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 LEU HG 7 CYS HA 5.50 (# 3529:20 Unique 4.03, 4.22 A) &rst ixpk= 3529, nxpk= 20, iat= 289, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 VAL MGX 7 CYS HA 3.50 (# 3530:20 Unique 3.57, 5.61 A) &rst ixpk= 3530, nxpk= 20, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 118, 119, 120, 122, 123, 124, &end # # 8 VAL HN 7 CYS HB+ 5.50 (# 3531:20 Unique 3.12, 3.67 A) &rst ixpk= 3531, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 6 LEU HA 7 CYS HB- 5.50 (# 3532:20 Unique 4.28, 5.12 A) &rst ixpk= 3532, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 154 GLU HN 153 VAL HB 4.50 (# 3533:20 Unique 3.00, 4.41 A) &rst ixpk= 3533, nxpk= 20, iat=2317,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 LEU MDY 36 VAL MGX 5.50 (# 3534:20 Unique 2.30, 5.75 A) &rst ixpk= 3534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 72, 73, 74, 76, 77, 78, igr2= 492, 493, 494, 496, 497, 498, &end # # 7 CYS HN 8 VAL MGX 5.50 (# 3536:20 Unique 4.42, 6.50 A) &rst ixpk= 3536, nxpk= 20, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 118, 119, 120, 122, 123, 124, &end # # 39 GLY HN 8 VAL MGX 5.50 (# 3537:20 Unique 3.18, 5.27 A) &rst ixpk= 3537, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGY 9 GLY HA- 4.50 (# 3539:20 Unique 3.20, 5.76 A) &rst ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 118, 119, 120, 122, 123, 124, igr2= 130, 131, &end # # 10 ASN HD2+ 10 ASN HB- 4.50 (# 3540:20 Unique 2.21, 3.17 A) &rst ixpk= 3540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 144, 145, igr2= 139, 140, &end # # 11 SER HN 10 ASN HB+ 5.50 (# 3541:20 Unique 4.39, 4.45 A) &rst ixpk= 3541, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 139, 140, &end # # 11 SER HN 10 ASN HB- 5.50 (# 3542:20 Unique 4.39, 4.45 A) &rst ixpk= 3542, nxpk= 20, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 139, 140, &end # # 13 MET HB+ 10 ASN HB- 4.50 (# 3543:20 Unique 2.33, 3.42 A) &rst ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 181, 182, igr2= 139, 140, &end # # 10 ASN HB+ 11 SER HA 5.50 (# 3544:20 Unique 5.54, 5.95 A) &rst ixpk= 3544, nxpk= 20, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 139, 140, &end # # 21 LEU HB+ 11 SER HB+ 5.50 (# 3545:20 Unique 5.56, 7.29 A) &rst ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 267, 268, igr2= 153, 154, &end # # 0 AMB 20-2:3546 11 SER HB- 5.50 (# 3546:20 Single Ambig) &rst ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 164, 165, 253, 254, igr2= 153, 154, &end # # 20 PRO HB+ 11 SER HB+ 5.50 (# 3547:20 Unique 2.77, 3.69 A) &rst ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 153, 154, &end # # 20 PRO HD+ 11 SER HB+ 5.50 (# 3548:20 Unique 5.24, 6.42 A) &rst ixpk= 3548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 153, 154, &end # # 45 ASN HD2- 45 ASN HA 5.50 (# 3549:20 Unique 3.43, 4.52 A) &rst ixpk= 3549, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 606, 607, &end # # 37 ILE HN 36 VAL HB 5.50 (# 3550:20 Unique 3.79, 4.14 A) &rst ixpk= 3550, nxpk= 20, iat= 502, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 GLY HN 70 PRO HB+ 5.50 (# 3551:20 Unique 3.07, 3.50 A) &rst ixpk= 3551, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1006,1007, &end # # 93 PRO HD+ 93 PRO HB+ 4.50 (# 3552:20 Unique 2.75, 3.66 A) &rst ixpk= 3552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1358,1359, igr2=1364,1365, &end # # 123 PRO HD- 123 PRO HB+ 4.50 (# 3553:20 Unique 2.94, 3.72 A) &rst ixpk= 3553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1849,1850, igr2=1855,1856, &end # # 76 ILE QG2 84 MET HG- 4.50 (# 3555:20 Unique 2.86, 4.32 A) &rst ixpk= 3555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1103,1104,1105, igr2=1217,1218, &end # # 77 ASP HA 78 PRO HB+ 5.50 (# 3556:20 Unique 5.06, 5.44 A) &rst ixpk= 3556, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1135,1136, &end # # 57 ARG HN 55 PRO HB+ 5.50 (# 3557:20 Unique 2.84, 3.12 A) &rst ixpk= 3557, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 776, 777, &end # # 10 ASN HB+ 13 MET HB+ 5.50 (# 3558:20 Unique 2.33, 3.42 A) &rst ixpk= 3558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 139, 140, igr2= 181, 182, &end # # 135 VAL HA 135 VAL HB 3.50 (# 3559:20 Unique 2.27, 2.73 A) &rst ixpk= 3559, nxpk= 20, iat=2034,2036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 135 VAL HA 0 AMB 20-1:3560 3.50 (# 3560:20 Single Ambig) &rst ixpk= 3560, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2090,2091,2090,2091, &end # # 0 AMB 20-2:3561 0 AMB 20-1:3561 5.50 (# 3561:20 Double Ambig) &rst ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2096,2097,2096,2097, igr2=2090,2091,2090,2091, &end # # 12 MET HN 12 MET HB- 3.50 (# 3562:20 Unique 2.97, 3.35 A) &rst ixpk= 3562, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 164, 165, &end # # 58 LEU HN 107 GLU HB+ 5.50 (# 3564:20 Unique 3.71, 4.62 A) &rst ixpk= 3564, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1590,1591, &end # # 11 SER HB- 20 PRO HB+ 5.50 (# 3565:20 Unique 2.77, 3.69 A) &rst ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 153, 154, igr2= 256, 257, &end # # 19 GLY HA+ 20 PRO HB+ 5.50 (# 3566:20 Unique 5.39, 6.01 A) &rst ixpk= 3566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 244, 245, igr2= 256, 257, &end # # 0 AMB 20-2:3567 13 MET HB- 4.50 (# 3567:20 Single Ambig) &rst ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1788, 215, igr2= 181, 182, &end # # 20 PRO HD- 20 PRO HB- 5.50 (# 3568:20 Unique 2.90, 3.69 A) &rst ixpk= 3568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 256, 257, &end # # 20 PRO HD+ 20 PRO HB- 4.50 (# 3569:20 Unique 2.90, 3.69 A) &rst ixpk= 3569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 250, 251, igr2= 256, 257, &end # # 0 AMB 20-2:3570 20 PRO HB- 5.50 (# 3570:20 Single Ambig) &rst ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 227, 228, 227, 228, igr2= 256, 257, &end # # 0 AMB 20-2:3571 0 AMB 20-1:3571 5.50 (# 3571:20 Double Ambig) &rst ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 144, 145,1905,1906, igr2= 181, 182,1947,1948, &end # # 84 MET HA 84 MET HG- 3.50 (# 3572:20 Unique 2.75, 3.28 A) &rst ixpk= 3572, nxpk= 20, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1217,1218, &end # # 66 MET HA 66 MET HB- 4.50 (# 3573:20 Unique 2.46, 2.77 A) &rst ixpk= 3573, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 946, 947, &end # # 66 MET HG+ 66 MET HB- 4.50 (# 3574:20 Unique 2.25, 2.76 A) &rst ixpk= 3574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 949, 950, igr2= 946, 947, &end # # 0 AMB 20-2:3575 74 ARG HB- 4.50 (# 3575:20 Single Ambig) &rst ixpk= 3575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2281,2282,2283,2285,2286,2287,1107,1108, 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2=1058,1059, &end # # 0 AMB 20-2:3576 0 AMB 20-1:3576 5.50 (# 3576:20 Double Ambig) &rst ixpk= 3576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=2257,1037,1080, igr2=1058,1059,1058,1059,1058,1059, &end # # 73 ILE QG2 148 PHE HA 5.50 (# 3577:20 Unique 4.51, 5.69 A) &rst ixpk= 3577, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1041,1042,1043, &end # # 125 THR HN 15 ASP HA 5.50 (# 3578:20 Unique 3.39, 3.57 A) &rst ixpk= 3578, nxpk= 20, iat=1879, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3579 148 PHE HA 4.50 (# 3579:20 Single Ambig) &rst ixpk= 3579, nxpk= 20, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=2249,2250,2251,1088,1089, &end # # 75 ILE HN 148 PHE HA 5.50 (# 3580:20 Unique 5.41, 5.49 A) &rst ixpk= 3580, nxpk= 20, iat=1078,2227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3581 0 AMB 20-1:3581 5.50 (# 3581:20 Double Ambig) &rst ixpk= 3581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1166, 623, igr2=1158,1159, 615, 616, &end # # 128 ILE HA 15 ASP HB+ 5.50 (# 3582:20 Unique 5.47, 6.37 A) &rst ixpk= 3582, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 126 GLN HA 129 LYS HE- 5.50 (# 3583:20 Unique 5.09, 5.54 A) &rst ixpk= 3583, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1956,1957, &end # # 126 GLN HA 129 LYS HE+ 5.50 (# 3584:20 Unique 5.09, 5.54 A) &rst ixpk= 3584, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1956,1957, &end # # 129 LYS HA 129 LYS HE+ 5.50 (# 3585:20 Unique 4.15, 4.55 A) &rst ixpk= 3585, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1956,1957, &end # # 79 ASP HN 80 ASP HB+ 5.50 (# 3586:20 Unique 4.72, 4.89 A) &rst ixpk= 3586, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1158,1159, &end # # 16 ASP HA 16 ASP HB+ 3.50 (# 3587:20 Unique 2.45, 2.78 A) &rst ixpk= 3587, nxpk= 20, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 217, 218, &end # # 10 ASN HN 16 ASP HB- 5.50 (# 3588:20 Unique 2.98, 3.96 A) &rst ixpk= 3588, nxpk= 20, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 217, 218, &end # # 63 ALA HA 18 ALA MB 5.50 (# 3589:20 Unique 3.62, 3.92 A) &rst ixpk= 3589, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 236, 237, 238, &end # # 0 AMB 20-2:3590 18 ALA MB 5.50 (# 3590:20 Single Ambig) &rst ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 282, 263, 135, 301, igr2= 236, 237, 238, &end # # 62 ASP HN 18 ALA MB 5.50 (# 3591:20 Unique 4.34, 5.06 A) &rst ixpk= 3591, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 236, 237, 238, &end # # 62 ASP HA 18 ALA MB 5.50 (# 3593:20 Unique 2.27, 3.38 A) &rst ixpk= 3593, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 236, 237, 238, &end # # 0 AMB 20-2:3594 18 ALA MB 5.50 (# 3594:20 Single Ambig) &rst ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 130, 131,1728,1684, igr2= 236, 237, 238, &end # # 19 GLY HA+ 18 ALA MB 5.50 (# 3595:20 Unique 4.37, 5.05 A) &rst ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 244, 245, igr2= 236, 237, 238, &end # # 82 ALA HA 82 ALA MB 2.80 (# 3596:20 Unique 2.48, 2.68 A) &rst ixpk= 3596, nxpk= 20, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1189,1190,1191, &end # # 112 GLY HA- 18 ALA MB 5.50 (# 3597:20 Unique 6.12, 7.30 A) &rst ixpk= 3597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1677,1678, igr2= 236, 237, 238, &end # # 0 AMB 20-2:3598 18 ALA MB 5.50 (# 3598:20 Single Ambig) &rst ixpk= 3598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 205, 206,1869,1870, 217, 218, igr2= 236, 237, 238, &end # # 22 LEU MDY 19 GLY HA- 5.50 (# 3599:20 Unique 2.42, 5.56 A) &rst ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 291, 292, 293, 295, 296, 297, igr2= 244, 245, &end # # 0 AMB 20-2:3600 20 PRO HA 5.50 (# 3600:20 Single Ambig) &rst ixpk= 3600, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 525, 526, 315, 316, 315, 316, &end # # 20 PRO HD+ 20 PRO HA 5.50 (# 3601:20 Unique 3.35, 3.61 A) &rst ixpk= 3601, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 250, 251, &end # # 38 ASP HA 20 PRO HA 5.50 (# 3603:20 Unique 5.22, 5.40 A) &rst ixpk= 3603, nxpk= 20, iat= 523, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3604 20 PRO HB- 5.50 (# 3604:20 Single Ambig) &rst ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 149, 242, igr2= 256, 257, &end # # 21 LEU HN 20 PRO HB- 4.50 (# 3605:20 Unique 2.59, 3.33 A) &rst ixpk= 3605, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 256, 257, &end # # 20 PRO HD+ 20 PRO HB+ 5.50 (# 3607:20 Unique 2.90, 3.69 A) &rst ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 250, 251, igr2= 256, 257, &end # # 55 PRO HA 55 PRO HG- 4.50 (# 3608:20 Unique 2.89, 3.47 A) &rst ixpk= 3608, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 773, 774, &end # # 142 TRP HD1 138 ARG HG- 5.50 (# 3609:20 Unique 3.46, 5.56 A) &rst ixpk= 3609, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 142 TRP HD1 138 ARG HG+ 5.50 (# 3610:20 Unique 3.46, 5.56 A) &rst ixpk= 3610, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 138 ARG HE 138 ARG HG- 5.50 (# 3611:20 Unique 2.23, 3.02 A) &rst ixpk= 3611, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 138 ARG HE 138 ARG HG+ 5.50 (# 3612:20 Unique 2.23, 3.02 A) &rst ixpk= 3612, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 142 TRP HN 138 ARG HG- 4.50 (# 3613:20 Unique 3.49, 4.58 A) &rst ixpk= 3613, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2093,2094, &end # # 142 TRP HN 138 ARG HG+ 4.50 (# 3614:20 Unique 3.49, 4.58 A) &rst ixpk= 3614, nxpk= 20, iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2093,2094, &end # # 53 LEU HN 53 LEU HG 3.50 (# 3615:20 Unique 2.49, 2.72 A) &rst ixpk= 3615, nxpk= 20, iat= 726, 733, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 148 PHE HD 138 ARG HG- 5.50 (# 3616:20 Unique 2.91, 5.57 A) &rst ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2233,2241, igr2=2093,2094, &end # # 0 AMB 20-2:3617 0 AMB 20-1:3617 4.50 (# 3617:20 Double Ambig) &rst ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=2233,2241, 726, igr2=2093,2094, 752, 753, 752, 753, &end # # 138 ARG HN 138 ARG HG- 4.50 (# 3618:20 Unique 4.42, 4.66 A) &rst ixpk= 3618, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2093,2094, &end # # 20 PRO HD- 20 PRO HG+ 3.50 (# 3620:20 Unique 2.29, 2.59 A) &rst ixpk= 3620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 250, 251, igr2= 253, 254, &end # # 17 GLY HN 20 PRO HD+ 5.50 (# 3621:20 Unique 5.21, 6.11 A) &rst ixpk= 3621, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 250, 251, &end # # 0 AMB 20-2:3622 0 AMB 20-1:3622 2.80 (# 3622:20 Double Ambig) &rst ixpk= 3622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 227, 228, 227, 228, igr2= 250, 251, 250, 251, &end # # 0 AMB 20-2:3623 0 AMB 20-1:3623 5.50 (# 3623:20 Double Ambig) &rst ixpk= 3623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 256, 257, 339, 340, 339, 340, igr2= 267, 268, 267, 268, 267, 268, &end # # 0 AMB 20-2:3624 21 LEU HG 4.50 (# 3624:20 Single Ambig) &rst ixpk= 3624, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 282, 263, 301, &end # # 118 VAL HN 117 ILE HG1+ 5.50 (# 3625:20 Unique 3.94, 4.94 A) &rst ixpk= 3625, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1754,1755, &end # # 122 TYR HE 117 ILE HG1+ 5.50 (# 3627:20 Unique 4.93, 7.77 A) &rst ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1837,1842, igr2=1754,1755, &end # # 122 TYR HD 117 ILE HG1+ 5.50 (# 3628:20 Unique 2.94, 6.26 A) &rst ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1835,1844, igr2=1754,1755, &end # # 128 ILE HN 129 LYS HG+ 5.50 (# 3629:20 Unique 4.42, 5.66 A) &rst ixpk= 3629, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1950,1951, &end # # 36 VAL HA 37 ILE HG1+ 4.50 (# 3630:20 Unique 3.87, 4.61 A) &rst ixpk= 3630, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 512, 513, &end # # 117 ILE HN 117 ILE HG1- 4.50 (# 3631:20 Unique 2.18, 3.25 A) &rst ixpk= 3631, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1754,1755, &end # # 75 ILE HN 75 ILE HG1- 4.50 (# 3632:20 Unique 2.25, 3.10 A) &rst ixpk= 3632, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1088,1089, &end # # 75 ILE HN 75 ILE HG1+ 4.50 (# 3633:20 Unique 2.25, 3.10 A) &rst ixpk= 3633, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1088,1089, &end # # 152 ALA HN 151 LEU HG 4.50 (# 3634:20 Unique 2.52, 3.19 A) &rst ixpk= 3634, nxpk= 20, iat=2291,2279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3635 22 LEU HG 4.50 (# 3635:20 Single Ambig) &rst ixpk= 3635, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 301, 282, &end # # 94 LEU HN 94 LEU HG 4.50 (# 3636:20 Unique 2.28, 2.92 A) &rst ixpk= 3636, nxpk= 20, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 113 ILE HA 113 ILE HG1+ 5.50 (# 3637:20 Unique 2.55, 2.71 A) &rst ixpk= 3637, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1692,1693, &end # # 139 LEU HA 139 LEU MDX 5.50 (# 3638:20 Unique 2.34, 3.43 A) &rst ixpk= 3638, nxpk= 20, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 59 LEU HA 59 LEU HG 4.50 (# 3639:20 Unique 2.38, 3.10 A) &rst ixpk= 3639, nxpk= 20, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 116 ASP HB+ 117 ILE HG1+ 5.50 (# 3640:20 Unique 3.65, 5.68 A) &rst ixpk= 3640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1736,1737, igr2=1754,1755, &end # # 129 LYS HE- 21 LEU MDX 5.50 (# 3641:20 Unique 2.77, 4.48 A) &rst ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1956,1957, igr2= 272, 273, 274, 276, 277, 278, &end # # 21 LEU HA 21 LEU MDX 3.50 (# 3644:20 Unique 2.30, 3.86 A) &rst ixpk= 3644, nxpk= 20, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:3646 21 LEU MDX 5.50 (# 3646:20 Single Ambig) &rst ixpk= 3646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2003,1943, igr2= 272, 273, 274, 276, 277, 278, &end # # 132 VAL HN 21 LEU MDX 5.50 (# 3647:20 Unique 4.13, 6.18 A) &rst ixpk= 3647, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 272, 273, 274, 276, 277, 278, &end # # 24 GLU HN 21 LEU MDX 5.50 (# 3648:20 Unique 4.53, 6.66 A) &rst ixpk= 3648, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 272, 273, 274, 276, 277, 278, &end # # 130 ASP HN 21 LEU MDX 5.50 (# 3649:20 Unique 5.44, 7.34 A) &rst ixpk= 3649, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 272, 273, 274, 276, 277, 278, &end # # 22 LEU HA 21 LEU MDY 4.50 (# 3651:20 Unique 3.66, 5.62 A) &rst ixpk= 3651, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 272, 273, 274, 276, 277, 278, &end # # 0 AMB 20-2:3652 0 AMB 20-1:3652 3.50 (# 3652:20 Double Ambig) &rst ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1168,1640,1641, igr2=1176,1177,1176,1177, &end # # 22 LEU HN 22 LEU HB+ 3.50 (# 3653:20 Unique 2.00, 2.68 A) &rst ixpk= 3653, nxpk= 20, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 286, 287, &end # # 81 ILE QD1 110 PHE HB- 4.50 (# 3654:20 Unique 2.22, 2.94 A) &rst ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1179,1180,1181, igr2=1640,1641, &end # # 151 LEU HA 151 LEU HG 4.50 (# 3656:20 Unique 3.11, 3.31 A) &rst ixpk= 3656, nxpk= 20, iat=2274,2279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 CYS HA 22 LEU MDX 5.50 (# 3657:20 Unique 3.77, 5.50 A) &rst ixpk= 3657, nxpk= 20, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 133 GLU HA 22 LEU MDX 5.50 (# 3658:20 Unique 5.51, 7.13 A) &rst ixpk= 3658, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HA 22 LEU MDX 5.50 (# 3659:20 Unique 2.35, 4.27 A) &rst ixpk= 3659, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 19 GLY HA- 22 LEU MDX 4.50 (# 3660:20 Unique 2.42, 5.56 A) &rst ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 244, 245, igr2= 291, 292, 293, 295, 296, 297, &end # # 136 TYR HB+ 22 LEU MDX 5.50 (# 3661:20 Unique 2.31, 4.92 A) &rst ixpk= 3661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2052,2053, igr2= 291, 292, 293, 295, 296, 297, &end # # 139 LEU MDY 22 LEU MDX 4.50 (# 3662:20 Unique 2.88, 5.65 A) &rst ixpk= 3662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=2119,2120,2121,2123,2124,2125, igr2= 291, 292, 293, 295, 296, 297, &end # # 59 LEU MDX 22 LEU MDX 5.50 (# 3663:20 Unique 4.13, 7.48 A) &rst ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 849, 850, 851, 853, 854, 855, igr2= 291, 292, 293, 295, 296, 297, &end # # 139 LEU MDY 22 LEU MDY 5.50 (# 3664:20 Unique 2.88, 5.65 A) &rst ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=2119,2120,2121,2123,2124,2125, igr2= 291, 292, 293, 295, 296, 297, &end # # 5 LEU MDX 22 LEU MDY 3.50 (# 3665:20 Unique 2.17, 4.49 A) &rst ixpk= 3665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 72, 73, 74, 76, 77, 78, igr2= 291, 292, 293, 295, 296, 297, &end # # 19 GLY HA+ 22 LEU MDY 3.50 (# 3666:20 Unique 2.42, 5.56 A) &rst ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 244, 245, igr2= 291, 292, 293, 295, 296, 297, &end # # 152 ALA HN 151 LEU MDY 3.50 (# 3667:20 Unique 1.80, 4.08 A) &rst ixpk= 3667, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 20-2:3668 22 LEU MDY 4.50 (# 3668:20 Single Ambig) &rst ixpk= 3668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 326,2069,2018, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:3670 23 ALA HA 5.50 (# 3670:20 Single Ambig) &rst ixpk= 3670, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 525, 526, 315, 316, 315, 316, &end # # 0 AMB 20-2:3671 62 ASP HA 5.50 (# 3671:20 Single Ambig) &rst ixpk= 3671, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 118, 119, 120, 122, 123, 124,1930,1931,1932, &end # # 95 ASN HD2+ 82 ALA MB 5.50 (# 3673:20 Unique 3.17, 4.56 A) &rst ixpk= 3673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1399,1400, igr2=1189,1190,1191, &end # # 24 GLU HN 24 GLU HA 3.50 (# 3674:20 Unique 2.80, 2.82 A) &rst ixpk= 3674, nxpk= 20, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 ILE HN 102 LYS HA 4.50 (# 3675:20 Unique 3.41, 3.60 A) &rst ixpk= 3675, nxpk= 20, iat=1560,1513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3676 0 AMB 20-1:3676 4.50 (# 3676:20 Double Ambig) &rst ixpk= 3676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 301, 282, igr2= 315, 316, 315, 316, 315, 316, &end # # 0 AMB 20-2:3677 0 AMB 20-1:3677 4.50 (# 3677:20 Double Ambig) &rst ixpk= 3677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 328, 284, 303, igr2= 315, 316, 315, 316, 315, 316, 315, 316, &end # # 108 VAL HN 107 GLU HG- 5.50 (# 3678:20 Unique 2.59, 3.41 A) &rst ixpk= 3678, nxpk= 20, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1593,1594, &end # # 104 ASP HN 103 GLU HG+ 5.50 (# 3679:20 Unique 2.54, 4.05 A) &rst ixpk= 3679, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1540,1541, &end # # 53 LEU HN 52 GLU HG- 5.50 (# 3680:20 Unique 2.66, 4.96 A) &rst ixpk= 3680, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 718, 719, &end # # 0 AMB 20-2:3681 25 LYS HA 5.50 (# 3681:20 Single Ambig) &rst ixpk= 3681, nxpk= 20, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 339, 340, 339, 340, 286, 287, &end # # 136 TYR HD 25 LYS HB+ 5.50 (# 3684:20 Unique 2.82, 3.76 A) &rst ixpk= 3684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2056,2065, igr2= 330, 331, &end # # 26 CYS HN 25 LYS HB+ 5.50 (# 3685:20 Unique 2.49, 3.09 A) &rst ixpk= 3685, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 330, 331, &end # # 25 LYS HN 25 LYS HB+ 4.50 (# 3686:20 Unique 2.48, 3.08 A) &rst ixpk= 3686, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 330, 331, &end # # 0 AMB 20-2:3687 0 AMB 20-1:3687 5.50 (# 3687:20 Double Ambig) &rst ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 339, 340, 339, 340, 416, 417, igr2= 330, 331, 330, 331, 330, 331, &end # # 136 TYR HB- 25 LYS HB+ 5.50 (# 3688:20 Unique 2.80, 3.95 A) &rst ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 330, 331, &end # # 0 AMB 20-2:3689 0 AMB 20-1:3689 5.50 (# 3689:20 Double Ambig) &rst ixpk= 3689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 315, 316, 315, 316, igr2= 333, 334, 333, 334, &end # # 25 LYS HB+ 25 LYS HD+ 4.50 (# 3690:20 Unique 2.30, 2.79 A) &rst ixpk= 3690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 330, 331, igr2= 336, 337, &end # # 136 TYR HB+ 25 LYS HD+ 5.50 (# 3691:20 Unique 2.42, 3.28 A) &rst ixpk= 3691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 336, 337, &end # # 136 TYR HD 25 LYS HD+ 5.50 (# 3692:20 Unique 2.71, 3.94 A) &rst ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2056,2065, igr2= 336, 337, &end # # 30 PRO HA 26 CYS HA 5.50 (# 3693:20 Unique 2.42, 2.78 A) &rst ixpk= 3693, nxpk= 20, iat= 399, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3694 26 CYS HA 5.50 (# 3694:20 Single Ambig) &rst ixpk= 3694, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 492, 493, 494, 496, 497, 498, 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:3695 26 CYS HA 5.50 (# 3695:20 Single Ambig) &rst ixpk= 3695, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 410, 411, 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:3696 26 CYS HA 5.50 (# 3696:20 Single Ambig) &rst ixpk= 3696, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 330, 331,2119,2120,2121,2123,2124,2125, &end # # 5 LEU MDX 26 CYS HB+ 5.50 (# 3697:20 Unique 3.15, 5.91 A) &rst ixpk= 3697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 352, 353, &end # # 5 LEU MDX 26 CYS HB- 5.50 (# 3698:20 Unique 3.15, 5.91 A) &rst ixpk= 3698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 352, 353, &end # # 30 PRO HA 26 CYS HB+ 5.50 (# 3699:20 Unique 2.58, 3.86 A) &rst ixpk= 3699, nxpk= 20, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 25 LYS HN 26 CYS HB+ 5.50 (# 3701:20 Unique 4.58, 5.54 A) &rst ixpk= 3701, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 352, 353, &end # # 52 GLU HG+ 49 ALA HA 5.50 (# 3702:20 Unique 2.27, 3.61 A) &rst ixpk= 3702, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 718, 719, &end # # 52 GLU HG- 49 ALA HA 4.50 (# 3703:20 Unique 2.27, 3.61 A) &rst ixpk= 3703, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 718, 719, &end # # 95 ASN HB- 82 ALA HA 5.50 (# 3704:20 Unique 2.66, 4.06 A) &rst ixpk= 3704, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1394,1395, &end # # 0 AMB 20-2:3705 0 AMB 20-1:3705 5.50 (# 3705:20 Double Ambig) &rst ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1231,1232, 352, 353, igr2=1187, 361, &end # # 85 PHE HB+ 82 ALA HA 5.50 (# 3706:20 Unique 4.02, 4.74 A) &rst ixpk= 3706, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1231,1232, &end # # 0 AMB 20-2:3707 49 ALA HA 5.50 (# 3707:20 Single Ambig) &rst ixpk= 3707, nxpk= 20, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 644, 670, 625, &end # # 51 ARG HN 49 ALA HA 5.50 (# 3708:20 Unique 4.49, 4.55 A) &rst ixpk= 3708, nxpk= 20, iat= 687, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 51 ARG HN 49 ALA MB 5.50 (# 3711:20 Unique 4.99, 5.55 A) &rst ixpk= 3711, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 662, 663, 664, &end # # 29 ALA HA 29 ALA MB 2.80 (# 3713:20 Unique 2.39, 2.66 A) &rst ixpk= 3713, nxpk= 20, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 383, 384, 385, &end # # 65 ASP HN 63 ALA MB 5.50 (# 3714:20 Unique 5.42, 6.27 A) &rst ixpk= 3714, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 910, 911, 912, &end # # 28 ALA HN 29 ALA MB 4.50 (# 3716:20 Unique 4.95, 5.62 A) &rst ixpk= 3716, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 383, 384, 385, &end # # 0 AMB 20-2:3717 0 AMB 20-1:3717 4.50 (# 3717:20 Double Ambig) &rst ixpk= 3717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 350, 918, igr2= 383, 384, 385, 910, 911, 912, &end # # 0 AMB 20-2:3718 30 PRO HA 5.50 (# 3718:20 Single Ambig) &rst ixpk= 3718, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 413, 414, 407, 408, &end # # 26 CYS HB+ 30 PRO HA 5.50 (# 3719:20 Unique 2.58, 3.86 A) &rst ixpk= 3719, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 26 CYS HB- 30 PRO HA 5.50 (# 3720:20 Unique 2.58, 3.86 A) &rst ixpk= 3720, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 30 PRO HD- 30 PRO HA 5.50 (# 3721:20 Unique 3.46, 3.79 A) &rst ixpk= 3721, nxpk= 20, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 390, 391, &end # # 26 CYS HA 30 PRO HA 5.50 (# 3722:20 Unique 2.42, 2.78 A) &rst ixpk= 3722, nxpk= 20, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 LYS HN 30 PRO HA 3.50 (# 3723:20 Unique 2.03, 2.18 A) &rst ixpk= 3723, nxpk= 20, iat= 403, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 PRO HD+ 30 PRO HB+ 4.50 (# 3724:20 Unique 2.83, 3.70 A) &rst ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 390, 391, igr2= 396, 397, &end # # 0 AMB 20-2:3725 0 AMB 20-1:3725 5.50 (# 3725:20 Double Ambig) &rst ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 361,1808, 151,2303, igr2= 396, 397, 167, 168,1271,1272, &end # # 34 TRP HN 30 PRO HB- 5.50 (# 3727:20 Unique 3.54, 5.87 A) &rst ixpk= 3727, nxpk= 20, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 396, 397, &end # # 30 PRO HD+ 30 PRO HB- 3.50 (# 3728:20 Unique 2.83, 3.70 A) &rst ixpk= 3728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 390, 391, igr2= 396, 397, &end # # 31 LYS HN 30 PRO HG+ 5.50 (# 3729:20 Unique 4.49, 5.12 A) &rst ixpk= 3729, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 393, 394, &end # # 138 ARG HN 137 GLN HB- 5.50 (# 3730:20 Unique 3.21, 4.16 A) &rst ixpk= 3730, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2073,2074, &end # # 0 AMB 20-2:3731 133 GLU HB- 3.50 (# 3731:20 Single Ambig) &rst ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2018,2081,2082, igr2=2007,2008, &end # # 128 ILE HN 127 PRO HG+ 5.50 (# 3732:20 Unique 2.37, 3.47 A) &rst ixpk= 3732, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1914,1915, &end # # 78 PRO HD+ 78 PRO HG+ 3.50 (# 3733:20 Unique 2.27, 2.61 A) &rst ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1129,1130, igr2=1132,1133, &end # # 29 ALA HN 30 PRO HD+ 5.50 (# 3734:20 Unique 3.30, 4.02 A) &rst ixpk= 3734, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 390, 391, &end # # 30 PRO HB+ 30 PRO HD+ 4.50 (# 3735:20 Unique 2.83, 3.70 A) &rst ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 396, 397, igr2= 390, 391, &end # # 139 LEU MDY 31 LYS HB+ 5.50 (# 3736:20 Unique 2.57, 5.20 A) &rst ixpk= 3736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2= 407, 408, &end # # 31 LYS HE+ 31 LYS HB+ 5.50 (# 3737:20 Unique 2.62, 4.44 A) &rst ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 407, 408, &end # # 31 LYS HE+ 31 LYS HB- 5.50 (# 3738:20 Unique 2.62, 4.44 A) &rst ixpk= 3738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 407, 408, &end # # 30 PRO HB+ 31 LYS HB+ 5.50 (# 3739:20 Unique 4.97, 6.28 A) &rst ixpk= 3739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 396, 397, igr2= 407, 408, &end # # 31 LYS HE- 31 LYS HB+ 5.50 (# 3740:20 Unique 2.62, 4.44 A) &rst ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 407, 408, &end # # 0 AMB 20-2:3741 0 AMB 20-1:3741 5.50 (# 3741:20 Double Ambig) &rst ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=2131, 427, 428, 427, 428, igr2= 407, 408, 407, 408, 407, 408, &end # # 0 AMB 20-2:3742 31 LYS HB- 5.50 (# 3742:20 Single Ambig) &rst ixpk= 3742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1=2131, 427, 428, 427, 428, igr2= 407, 408, &end # # 34 TRP HZ2 31 LYS HB+ 5.50 (# 3744:20 Unique 5.95, 7.49 A) &rst ixpk= 3744, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 34 TRP HZ2 31 LYS HB- 5.50 (# 3745:20 Unique 5.95, 7.49 A) &rst ixpk= 3745, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 34 TRP HD1 31 LYS HB+ 5.50 (# 3746:20 Unique 3.28, 4.59 A) &rst ixpk= 3746, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 34 TRP HD1 31 LYS HB- 5.50 (# 3747:20 Unique 3.28, 4.59 A) &rst ixpk= 3747, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 0 AMB 20-2:3748 0 AMB 20-1:3748 5.50 (# 3748:20 Double Ambig) &rst ixpk= 3748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 446,2056,2065, igr2= 407, 408, 407, 408, &end # # 31 LYS HN 31 LYS HG- 5.50 (# 3750:20 Unique 1.79, 2.96 A) &rst ixpk= 3750, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 410, 411, &end # # 0 AMB 20-2:3751 0 AMB 20-1:3751 5.50 (# 3751:20 Double Ambig) &rst ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2129, 611, 878, igr2= 410, 411, 91, 92, 93, 95, 96, 97, &end # # 0 AMB 20-2:3752 76 ILE QG2 4.50 (# 3752:20 Single Ambig) &rst ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1221,1222,1223,1644,1652, igr2=1103,1104,1105, &end # # 31 LYS HA 31 LYS HG- 3.50 (# 3754:20 Unique 2.90, 3.58 A) &rst ixpk= 3754, nxpk= 20, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 410, 411, &end # # 31 LYS HE- 31 LYS HG- 4.50 (# 3755:20 Unique 2.32, 3.08 A) &rst ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 416, 417, igr2= 410, 411, &end # # 31 LYS HE+ 31 LYS HG- 3.50 (# 3756:20 Unique 2.32, 3.08 A) &rst ixpk= 3756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 416, 417, igr2= 410, 411, &end # # 0 AMB 20-2:3758 31 LYS HG- 2.80 (# 3758:20 Single Ambig) &rst ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 413, 414, 407, 408, igr2= 410, 411, &end # # 32 GLY HN 31 LYS HD+ 5.50 (# 3759:20 Unique 3.01, 4.36 A) &rst ixpk= 3759, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 413, 414, &end # # 80 ASP HN 81 ILE HG1- 5.50 (# 3760:20 Unique 3.63, 4.44 A) &rst ixpk= 3760, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1176,1177, &end # # 102 LYS HN 98 ILE HG1- 5.50 (# 3762:20 Unique 5.08, 5.88 A) &rst ixpk= 3762, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1454,1455, &end # # 78 PRO HA 81 ILE HG1- 4.50 (# 3763:20 Unique 2.48, 3.62 A) &rst ixpk= 3763, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1176,1177, &end # # 0 AMB 20-2:3764 0 AMB 20-1:3764 5.50 (# 3764:20 Double Ambig) &rst ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1640,1641,1911,1912, igr2=1454,1455,1953,1954, &end # # 140 GLU HB- 31 LYS HD+ 4.50 (# 3765:20 Unique 2.42, 4.51 A) &rst ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2133,2134, igr2= 413, 414, &end # # 140 GLU HB+ 31 LYS HD+ 4.50 (# 3766:20 Unique 2.42, 4.51 A) &rst ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2133,2134, igr2= 413, 414, &end # # 137 GLN HN 31 LYS HE+ 5.50 (# 3767:20 Unique 4.03, 5.56 A) &rst ixpk= 3767, nxpk= 20, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 416, 417, &end # # 117 ILE QD1 116 ASP HB- 5.50 (# 3769:20 Unique 5.39, 7.58 A) &rst ixpk= 3769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1757,1758,1759, igr2=1736,1737, &end # # 70 PRO HG- 116 ASP HB- 3.50 (# 3770:20 Unique 2.18, 4.14 A) &rst ixpk= 3770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1003,1004, igr2=1736,1737, &end # # 80 ASP HN 77 ASP HB- 3.50 (# 3771:20 Unique 3.18, 4.32 A) &rst ixpk= 3771, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1120,1121, &end # # 0 AMB 20-2:3772 0 AMB 20-1:3772 5.50 (# 3772:20 Double Ambig) &rst ixpk= 3772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1129,1130,2050, igr2=1120,1121, 416, 417, &end # # 137 GLN HA 31 LYS HE- 4.50 (# 3773:20 Unique 2.25, 3.75 A) &rst ixpk= 3773, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 416, 417, &end # # 140 GLU HN 0 AMB 20-1:3774 5.50 (# 3774:20 Single Ambig) &rst ixpk= 3774, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 427, 428, 427, 428, &end # # 114 GLN HE2- 67 GLY HA+ 5.50 (# 3775:20 Unique 3.32, 4.78 A) &rst ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1713,1714, igr2= 961, 962, &end # # 0 AMB 20-2:3776 0 AMB 20-1:3776 4.50 (# 3776:20 Double Ambig) &rst ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=2133,2134,2133,2134,2117, igr2= 427, 428, 427, 428, 427, 428, &end # # 140 GLU HB- 0 AMB 20-1:3777 5.50 (# 3777:20 Single Ambig) &rst ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2133,2134, igr2= 427, 428, 427, 428, &end # # 0 AMB 20-2:3778 0 AMB 20-1:3778 5.50 (# 3778:20 Double Ambig) &rst ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 407, 408, 407, 408, 413, 414, igr2= 427, 428, 427, 428, 427, 428, &end # # 31 LYS HB- 0 AMB 20-1:3779 5.50 (# 3779:20 Single Ambig) &rst ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 407, 408, igr2= 427, 428, 427, 428, &end # # 139 LEU HB- 0 AMB 20-1:3780 5.50 (# 3780:20 Single Ambig) &rst ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2114,2115, igr2= 427, 428, 427, 428, &end # # 0 AMB 20-2:3781 67 GLY HA- 5.50 (# 3781:20 Single Ambig) &rst ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 961, 962, &end # # 0 AMB 20-2:3782 0 AMB 20-1:3782 5.50 (# 3782:20 Double Ambig) &rst ixpk= 3782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99, igr1= 975, 976, 977, 979, 980, 981, 975, 976, 977, 979, 980, 981, igr2= 961, 962, 961, 962, &end # # 33 ASN HA 0 AMB 20-1:3783 5.50 (# 3783:20 Single Ambig) &rst ixpk= 3783, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 427, 428, 427, 428, &end # # 0 AMB 20-2:3784 33 ASN HA 5.50 (# 3784:20 Single Ambig) &rst ixpk= 3784, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 427, 428, 427, 428, 448, &end # # 121 TYR HA 120 PHE HB- 5.50 (# 3785:20 Unique 4.53, 5.24 A) &rst ixpk= 3785, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1790,1791, &end # # 91 ASN HA 91 ASN HB+ 3.50 (# 3786:20 Unique 2.47, 2.82 A) &rst ixpk= 3786, nxpk= 20, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1330,1331, &end # # 0 AMB 20-2:3787 33 ASN HB- 5.50 (# 3787:20 Single Ambig) &rst ixpk= 3787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 427, 428, 427, 428, 448, igr2= 436, 437, &end # # 140 GLU HN 140 GLU HA 3.50 (# 3788:20 Unique 2.78, 2.83 A) &rst ixpk= 3788, nxpk= 20, iat=2129,2131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HD1 0 AMB 20-1:3789 5.50 (# 3789:20 Single Ambig) &rst ixpk= 3789, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 448,2131, &end # # 33 ASN HN 34 TRP HA 5.50 (# 3790:20 Unique 3.88, 4.61 A) &rst ixpk= 3790, nxpk= 20, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 140 GLU HB+ 140 GLU HA 2.80 (# 3792:20 Unique 2.31, 2.55 A) &rst ixpk= 3792, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2133,2134, &end # # 140 GLU HB- 140 GLU HA 2.80 (# 3793:20 Unique 2.31, 2.55 A) &rst ixpk= 3793, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=2133,2134, &end # # 5 LEU MDX 34 TRP HA 5.50 (# 3794:20 Unique 6.12, 7.82 A) &rst ixpk= 3794, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 139 LEU MDY 140 GLU HA 5.50 (# 3795:20 Unique 5.82, 7.00 A) &rst ixpk= 3795, nxpk= 20, iat= -1,2131, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 35 VAL MGX 34 TRP HA 4.50 (# 3796:20 Unique 3.51, 5.64 A) &rst ixpk= 3796, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 476, 477, 478, 480, 481, 482, &end # # 0 AMB 20-2:3797 34 TRP HA 4.50 (# 3797:20 Single Ambig) &rst ixpk= 3797, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 476, 477, 478, 480, 481, 482, 53, 54, 55, 57, 58, 59, &end # # 0 AMB 20-2:3798 0 AMB 20-1:3798 5.50 (# 3798:20 Double Ambig) &rst ixpk= 3798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 488, 405, igr2= 450, 451, 450, 451, &end # # 139 LEU MDX 34 TRP HB+ 5.50 (# 3799:20 Unique 2.17, 5.23 A) &rst ixpk= 3799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2= 450, 451, &end # # 5 LEU MDY 34 TRP HB+ 5.50 (# 3800:20 Unique 3.44, 5.67 A) &rst ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 450, 451, &end # # 5 LEU MDY 34 TRP HB- 5.50 (# 3801:20 Unique 3.44, 5.67 A) &rst ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 72, 73, 74, 76, 77, 78, igr2= 450, 451, &end # # 139 LEU MDX 34 TRP HB- 5.50 (# 3802:20 Unique 2.17, 5.23 A) &rst ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2= 450, 451, &end # # 4 VAL HA 35 VAL HA 5.50 (# 3803:20 Unique 4.35, 4.44 A) &rst ixpk= 3803, nxpk= 20, iat= 49, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 MET HN 87 MET HB+ 4.50 (# 3804:20 Unique 2.37, 2.52 A) &rst ixpk= 3804, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1268,1269, &end # # 0 AMB 20-2:3805 0 AMB 20-1:3805 5.50 (# 3805:20 Double Ambig) &rst ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1281,1247, igr2=1268,1269,1268,1269, &end # # 0 AMB 20-2:3806 0 AMB 20-1:3806 3.50 (# 3806:20 Double Ambig) &rst ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1457,1458,1459,1566,1567,1568, igr2=1135,1136,1590,1591, &end # # 81 ILE QD1 78 PRO HB+ 4.50 (# 3807:20 Unique 2.81, 4.97 A) &rst ixpk= 3807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1179,1180,1181, igr2=1135,1136, &end # # 35 VAL HA 35 VAL MGY 2.80 (# 3808:20 Unique 2.39, 3.14 A) &rst ixpk= 3808, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 476, 477, 478, 480, 481, 482, &end # # 37 ILE HN 35 VAL MGY 5.50 (# 3809:20 Unique 4.96, 7.20 A) &rst ixpk= 3809, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 476, 477, 478, 480, 481, 482, &end # # 3 ASP HN 35 VAL MGX 5.50 (# 3810:20 Unique 3.10, 5.83 A) &rst ixpk= 3810, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 476, 477, 478, 480, 481, 482, &end # # 36 VAL HB 36 VAL HA 5.50 (# 3811:20 Unique 2.22, 3.00 A) &rst ixpk= 3811, nxpk= 20, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 12 MET HG+ 12 MET HB- 4.50 (# 3812:20 Unique 2.33, 2.76 A) &rst ixpk= 3812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 167, 168, igr2= 164, 165, &end # # 128 ILE HN 128 ILE QG2 4.50 (# 3813:20 Unique 4.17, 4.39 A) &rst ixpk= 3813, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1930,1931,1932, &end # # 128 ILE HA 128 ILE QG2 2.80 (# 3814:20 Unique 2.59, 3.24 A) &rst ixpk= 3814, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1930,1931,1932, &end # # 5 LEU MDY 36 VAL MGY 5.50 (# 3815:20 Unique 2.30, 5.75 A) &rst ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 72, 73, 74, 76, 77, 78, igr2= 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:3816 0 AMB 20-1:3816 5.50 (# 3816:20 Double Ambig) &rst ixpk= 3816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 179, 49, igr2=1769,1770,1771,1773,1774,1775, 492, 493, 494, 496, 497, 498, &end # # 0 AMB 20-2:3817 36 VAL MGY 4.50 (# 3817:20 Single Ambig) &rst ixpk= 3817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 359, 348, igr2= 492, 493, 494, 496, 497, 498, &end # # 38 ASP HB+ 37 ILE HA 5.50 (# 3818:20 Unique 4.18, 4.60 A) &rst ixpk= 3818, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 525, 526, &end # # 37 ILE HG1- 37 ILE HA 3.50 (# 3819:20 Unique 2.26, 2.72 A) &rst ixpk= 3819, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 6 LEU HA 37 ILE HG1- 5.50 (# 3820:20 Unique 4.59, 5.12 A) &rst ixpk= 3820, nxpk= 20, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 512, 513, &end # # 110 PHE HB+ 98 ILE QD1 4.50 (# 3821:20 Unique 2.29, 3.95 A) &rst ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1640,1641, igr2=1457,1458,1459, &end # # 50 ILE HN 37 ILE QD1 5.50 (# 3822:20 Unique 3.56, 4.16 A) &rst ixpk= 3822, nxpk= 20, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 515, 516, 517, &end # # 117 ILE HN 117 ILE QG2 5.50 (# 3823:20 Unique 2.13, 3.41 A) &rst ixpk= 3823, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1750,1751,1752, &end # # 0 AMB 20-2:3824 60 ILE QD1 5.50 (# 3824:20 Single Ambig) &rst ixpk= 3824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 878,1511, igr2= 872, 873, 874, &end # # 108 VAL HA 105 ILE QG2 4.50 (# 3825:20 Unique 3.23, 4.39 A) &rst ixpk= 3825, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1566,1567,1568, &end # # 39 GLY HA- 37 ILE QG2 5.50 (# 3826:20 Unique 3.98, 5.07 A) &rst ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 535, 536, igr2= 508, 509, 510, &end # # 39 GLY HA+ 38 ASP HA 4.50 (# 3827:20 Unique 4.38, 4.46 A) &rst ixpk= 3827, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 535, 536, &end # # 0 AMB 20-2:3828 38 ASP HA 3.50 (# 3828:20 Single Ambig) &rst ixpk= 3828, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 91, 92, 93, 95, 96, 97, 508, 509, 510, &end # # 39 GLY HN 38 ASP HB+ 5.50 (# 3829:20 Unique 4.21, 4.42 A) &rst ixpk= 3829, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 525, 526, &end # # 37 ILE HA 38 ASP HB+ 4.50 (# 3830:20 Unique 4.18, 4.60 A) &rst ixpk= 3830, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 525, 526, &end # # 37 ILE QG2 38 ASP HB- 5.50 (# 3831:20 Unique 5.02, 5.98 A) &rst ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 508, 509, 510, igr2= 525, 526, &end # # 39 GLY HN 38 ASP HB- 5.50 (# 3833:20 Unique 4.21, 4.42 A) &rst ixpk= 3833, nxpk= 20, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 525, 526, &end # # 46 ASP HB+ 39 GLY HA- 5.50 (# 3834:20 Unique 2.79, 3.84 A) &rst ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 615, 616, igr2= 535, 536, &end # # 0 AMB 20-2:3835 0 AMB 20-1:3835 4.50 (# 3835:20 Double Ambig) &rst ixpk= 3835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 128, 558, igr2= 542, 543, 542, 543, &end # # 43 PRO HA 40 GLY HA+ 5.50 (# 3836:20 Unique 4.88, 6.17 A) &rst ixpk= 3836, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 542, 543, &end # # 8 VAL MGX 40 GLY HA+ 5.50 (# 3838:20 Unique 3.19, 6.57 A) &rst ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124, igr2= 542, 543, &end # # 8 VAL MGY 40 GLY HA+ 5.50 (# 3839:20 Unique 3.19, 6.57 A) &rst ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124, igr2= 542, 543, &end # # 20 PRO HB- 40 GLY HA+ 5.50 (# 3840:20 Unique 4.57, 5.83 A) &rst ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 256, 257, igr2= 542, 543, &end # # 7 CYS HB- 40 GLY HA+ 5.50 (# 3841:20 Unique 4.61, 6.27 A) &rst ixpk= 3841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 105, 106, igr2= 542, 543, &end # # 105 ILE HG1+ 106 GLY HA- 5.50 (# 3842:20 Unique 6.38, 6.83 A) &rst ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1570,1571, igr2=1581,1582, &end # # 56 THR HA 106 GLY HA- 4.50 (# 3843:20 Unique 3.86, 4.71 A) &rst ixpk= 3843, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1581,1582, &end # # 16 ASP HN 15 ASP HA 5.50 (# 3844:20 Unique 3.43, 3.46 A) &rst ixpk= 3844, nxpk= 20, iat= 213, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 GLY HN 15 ASP HA 5.50 (# 3845:20 Unique 3.39, 3.61 A) &rst ixpk= 3845, nxpk= 20, iat= 225, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 ALA MB 41 SER HB+ 5.50 (# 3846:20 Unique 4.00, 6.08 A) &rst ixpk= 3846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 562, 563, 564, igr2= 551, 552, &end # # 10 ASN HD2- 41 SER HB+ 5.50 (# 3847:20 Unique 2.98, 5.23 A) &rst ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 144, 145, igr2= 551, 552, &end # # 10 ASN HB- 41 SER HB- 5.50 (# 3850:20 Unique 2.25, 3.84 A) &rst ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 139, 140, igr2= 551, 552, &end # # 10 ASN HB+ 41 SER HB- 5.50 (# 3851:20 Unique 2.25, 3.84 A) &rst ixpk= 3851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 139, 140, igr2= 551, 552, &end # # 0 AMB 20-2:3853 0 AMB 20-1:3853 4.50 (# 3853:20 Double Ambig) &rst ixpk= 3853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1767, 490, igr2=1746, 504, &end # # 42 ALA MB 41 SER HB- 5.50 (# 3854:20 Unique 4.00, 6.08 A) &rst ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 562, 563, 564, igr2= 551, 552, &end # # 84 MET HG- 81 ILE HA 5.50 (# 3855:20 Unique 4.06, 4.40 A) &rst ixpk= 3855, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1217,1218, &end # # 0 AMB 20-2:3856 70 PRO HA 5.50 (# 3856:20 Single Ambig) &rst ixpk= 3856, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1728,1684, &end # # 44 GLU HN 0 AMB 20-1:3857 5.50 (# 3857:20 Single Ambig) &rst ixpk= 3857, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 575, 576, 575, 576, &end # # 123 PRO HA 123 PRO HB- 2.80 (# 3859:20 Unique 2.32, 2.52 A) &rst ixpk= 3859, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1855,1856, &end # # 42 ALA HA 0 AMB 20-1:3860 4.50 (# 3860:20 Single Ambig) &rst ixpk= 3860, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 572, 573, 572, 573, &end # # 0 AMB 20-2:3861 0 AMB 20-1:3861 3.50 (# 3861:20 Double Ambig) &rst ixpk= 3861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 569, 570, 569, 570, igr2= 572, 573, 572, 573, &end # # 0 AMB 20-2:3862 0 AMB 20-1:3862 2.80 (# 3862:20 Double Ambig) &rst ixpk= 3862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 53, 54, 55, 57, 58, 59,1048,1049,1050,1501, 1502,1503,1505,1506,1507, igr2= 773, 774,1045,1046, 773, 774, &end # # 69 ASN HA 70 PRO HD- 2.80 (# 3863:20 Unique 2.20, 2.57 A) &rst ixpk= 3863, nxpk= 20, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1000,1001, &end # # 114 GLN HG+ 70 PRO HD- 4.50 (# 3864:20 Unique 3.89, 4.59 A) &rst ixpk= 3864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1708,1709, igr2=1000,1001, &end # # 62 ASP HN 112 GLY HA- 4.50 (# 3867:20 Unique 3.12, 4.02 A) &rst ixpk= 3867, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1677,1678, &end # # 60 ILE HN 60 ILE HA 5.50 (# 3868:20 Unique 2.95, 2.96 A) &rst ixpk= 3868, nxpk= 20, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HN 60 ILE HA 5.50 (# 3869:20 Unique 2.48, 2.63 A) &rst ixpk= 3869, nxpk= 20, iat= 82, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3870 60 ILE HA 4.50 (# 3870:20 Single Ambig) &rst ixpk= 3870, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 86, 87, 118, 119, 120, 122, 123, 124, &end # # 6 LEU HG 60 ILE HA 5.50 (# 3871:20 Unique 3.88, 4.02 A) &rst ixpk= 3871, nxpk= 20, iat= 89, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LEU HB+ 60 ILE HA 4.50 (# 3872:20 Unique 2.60, 3.61 A) &rst ixpk= 3872, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 86, 87, &end # # 5 LEU MDY 60 ILE HA 5.50 (# 3873:20 Unique 3.06, 5.67 A) &rst ixpk= 3873, nxpk= 20, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 72, 73, 74, 76, 77, 78, &end # # 62 ASP HN 62 ASP HA 4.50 (# 3874:20 Unique 2.85, 2.87 A) &rst ixpk= 3874, nxpk= 20, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 8 VAL HN 8 VAL HA 5.50 (# 3875:20 Unique 2.95, 2.97 A) &rst ixpk= 3875, nxpk= 20, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 PRO HG+ 9 GLY HA- 5.50 (# 3876:20 Unique 3.30, 4.51 A) &rst ixpk= 3876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 253, 254, igr2= 130, 131, &end # # 56 THR HN 56 THR HA 4.50 (# 3877:20 Unique 2.87, 2.89 A) &rst ixpk= 3877, nxpk= 20, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 122 TYR HE 119 GLY HA+ 5.50 (# 3878:20 Unique 2.74, 5.02 A) &rst ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1837,1842, igr2=1781,1782, &end # # 142 TRP HE1 146 GLY HA+ 5.50 (# 3879:20 Unique 4.16, 4.99 A) &rst ixpk= 3879, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 0 AMB 20-2:3880 0 AMB 20-1:3880 5.50 (# 3880:20 Double Ambig) &rst ixpk= 3880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1945,1358,1359, igr2=1967,1249, &end # # 0 AMB 20-2:3881 154 GLU HA 3.50 (# 3881:20 Single Ambig) &rst ixpk= 3881, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2324,2325,2324,2325,2339,2340,2339,2340, &end # # 133 GLU HB+ 130 ASP HA 3.50 (# 3882:20 Unique 2.32, 3.10 A) &rst ixpk= 3882, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2007,2008, &end # # 0 AMB 20-2:3883 154 GLU HA 4.50 (# 3883:20 Single Ambig) &rst ixpk= 3883, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2307,2308,2309,2311,2312,2313,2307,2308,2309,2311, 2312,2313, &end # # 65 ASP HN 65 ASP HB- 3.50 (# 3884:20 Unique 2.42, 2.55 A) &rst ixpk= 3884, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 934, 935, &end # # 79 ASP HN 79 ASP HB+ 3.50 (# 3885:20 Unique 2.46, 2.52 A) &rst ixpk= 3885, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1146,1147, &end # # 126 GLN HE2- 0 AMB 20-1:3886 5.50 (# 3886:20 Single Ambig) &rst ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1905,1906, igr2=1969,1970,1969,1970, &end # # 0 AMB 20-2:3887 0 AMB 20-1:3887 5.50 (# 3887:20 Double Ambig) &rst ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1129,1130,1911,1912,1911,1912, igr2=1146,1147,1969,1970,1969,1970, &end # # 0 AMB 20-2:3888 0 AMB 20-1:3888 5.50 (# 3888:20 Double Ambig) &rst ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75, igr1=1981,1982,1983,1953,1954,1953,1954, igr2=1969,1970,1969,1970,1969,1970, &end # # 154 GLU HB- 154 GLU HA 3.50 (# 3889:20 Unique 2.36, 2.64 A) &rst ixpk= 3889, nxpk= 20, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2321,2322, &end # # 0 AMB 20-2:3890 115 PRO HA 5.50 (# 3890:20 Single Ambig) &rst ixpk= 3890, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 910, 911, 912,1754,1755, &end # # 116 ASP HB- 115 PRO HA 5.50 (# 3891:20 Unique 4.41, 4.63 A) &rst ixpk= 3891, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1736,1737, &end # # 71 GLY HA- 115 PRO HA 5.50 (# 3892:20 Unique 5.49, 6.20 A) &rst ixpk= 3892, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 116 ASP HB+ 115 PRO HA 5.50 (# 3893:20 Unique 4.41, 4.63 A) &rst ixpk= 3893, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1736,1737, &end # # 0 AMB 20-2:3894 115 PRO HA 5.50 (# 3894:20 Single Ambig) &rst ixpk= 3894, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1719,1720,1009, &end # # 14 GLY HA+ 123 PRO HA 5.50 (# 3895:20 Unique 3.55, 4.77 A) &rst ixpk= 3895, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 196, 197, &end # # 115 PRO HD+ 115 PRO HA 5.50 (# 3896:20 Unique 3.41, 3.88 A) &rst ixpk= 3896, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1719,1720, &end # # 115 PRO HD- 115 PRO HB+ 5.50 (# 3898:20 Unique 2.69, 3.67 A) &rst ixpk= 3898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, igr2=1725,1726, &end # # 115 PRO HD+ 115 PRO HB+ 5.50 (# 3899:20 Unique 2.69, 3.67 A) &rst ixpk= 3899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, igr2=1725,1726, &end # # 15 ASP HB- 115 PRO HB+ 4.50 (# 3900:20 Unique 2.45, 2.90 A) &rst ixpk= 3900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 205, 206, igr2=1725,1726, &end # # 115 PRO HA 115 PRO HB+ 4.50 (# 3901:20 Unique 2.31, 2.53 A) &rst ixpk= 3901, nxpk= 20, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1725,1726, &end # # 9 GLY HN 8 VAL HB 5.50 (# 3902:20 Unique 3.80, 4.05 A) &rst ixpk= 3902, nxpk= 20, iat= 128, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ILE HN 115 PRO HB+ 5.50 (# 3903:20 Unique 3.39, 4.27 A) &rst ixpk= 3903, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1725,1726, &end # # 116 ASP HN 115 PRO HB+ 5.50 (# 3904:20 Unique 2.51, 3.14 A) &rst ixpk= 3904, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1725,1726, &end # # 116 ASP HN 115 PRO HB- 5.50 (# 3905:20 Unique 2.51, 3.14 A) &rst ixpk= 3905, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1725,1726, &end # # 72 GLU HG+ 68 LEU HA 5.50 (# 3909:20 Unique 4.46, 5.38 A) &rst ixpk= 3909, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1027,1028, &end # # 114 GLN HE2- 114 GLN HA 5.50 (# 3910:20 Unique 3.07, 3.41 A) &rst ixpk= 3910, nxpk= 20, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1713,1714, &end # # 114 GLN HN 114 GLN HA 4.50 (# 3911:20 Unique 2.77, 2.78 A) &rst ixpk= 3911, nxpk= 20, iat=1701,1703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 GLY HN 114 GLN HA 5.50 (# 3912:20 Unique 4.62, 4.68 A) &rst ixpk= 3912, nxpk= 20, iat=1013,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 ASP HB- 62 ASP HA 3.50 (# 3913:20 Unique 2.50, 2.78 A) &rst ixpk= 3913, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 898, 899, &end # # 15 ASP HN 118 VAL MGX 4.50 (# 3916:20 Unique 2.82, 4.56 A) &rst ixpk= 3916, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:3917 0 AMB 20-1:3917 4.50 (# 3917:20 Double Ambig) &rst ixpk= 3917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1212, 265, igr2=1202,1203, 318, 319, &end # # 59 LEU MDX 0 AMB 20-1:3918 4.50 (# 3918:20 Single Ambig) &rst ixpk= 3918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1= 849, 850, 851, 853, 854, 855, igr2=2119,2120,2121,2123,2124,2125,1665,1666,1667,1669, 1670,1671, &end # # 85 PHE HD 82 ALA HA 5.50 (# 3919:20 Unique 5.65, 6.60 A) &rst ixpk= 3919, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1235,1243, &end # # 59 LEU MDX 5 LEU HA 5.50 (# 3920:20 Unique 3.46, 5.59 A) &rst ixpk= 3920, nxpk= 20, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 138 ARG HD- 0 AMB 20-1:3921 5.50 (# 3921:20 Single Ambig) &rst ixpk= 3921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2096,2097, igr2=2090,2091,2090,2091, &end # # 125 THR HB 125 THR MG2 2.80 (# 3922:20 Unique 2.20, 2.62 A) &rst ixpk= 3922, nxpk= 20, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1885,1886,1887, &end # # 30 PRO HG- 30 PRO HD- 2.80 (# 3923:20 Unique 2.32, 2.62 A) &rst ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 393, 394, igr2= 390, 391, &end # # 0 AMB 20-2:3924 0 AMB 20-1:3924 4.50 (# 3924:20 Double Ambig) &rst ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1=1015,1016,1187, igr2=1928,1202,1203, &end # # 138 ARG HG- 138 ARG HD+ 3.50 (# 3925:20 Unique 2.24, 2.62 A) &rst ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2093,2094, igr2=2096,2097, &end # # 75 ILE HG1- 75 ILE QD1 2.80 (# 3926:20 Unique 2.34, 2.67 A) &rst ixpk= 3926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1088,1089, igr2=1091,1092,1093, &end # # 10 ASN HD2- 10 ASN HB+ 4.50 (# 3927:20 Unique 2.21, 3.17 A) &rst ixpk= 3927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 144, 145, igr2= 139, 140, &end # # 10 ASN HD2- 10 ASN HB- 4.50 (# 3928:20 Unique 2.21, 3.17 A) &rst ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 144, 145, igr2= 139, 140, &end # # 41 SER HB+ 10 ASN HB+ 5.50 (# 3929:20 Unique 2.25, 3.84 A) &rst ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 139, 140, &end # # 41 SER HB+ 10 ASN HB- 5.50 (# 3930:20 Unique 2.25, 3.84 A) &rst ixpk= 3930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 139, 140, &end # # 41 SER HB- 10 ASN HB+ 5.50 (# 3931:20 Unique 2.25, 3.84 A) &rst ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 551, 552, igr2= 139, 140, &end # # 41 SER HB- 10 ASN HB- 4.50 (# 3932:20 Unique 2.25, 3.84 A) &rst ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 551, 552, igr2= 139, 140, &end # # 10 ASN HD2- 13 MET HA 5.50 (# 3933:20 Unique 4.49, 5.12 A) &rst ixpk= 3933, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 144, 145, &end # # 0 AMB 20-2:3934 0 AMB 20-1:3934 5.50 (# 3934:20 Double Ambig) &rst ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2164,1794,1802, igr2= 842, 179, &end # # 14 GLY HN 13 MET HB- 5.50 (# 3935:20 Unique 4.37, 4.55 A) &rst ixpk= 3935, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 181, 182, &end # # 10 ASN HD2- 13 MET HB- 4.50 (# 3936:20 Unique 2.44, 3.66 A) &rst ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 144, 145, igr2= 181, 182, &end # # 120 PHE HD 13 MET HB- 5.50 (# 3937:20 Unique 3.90, 6.18 A) &rst ixpk= 3937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1794,1802, igr2= 181, 182, &end # # 55 PRO HD+ 55 PRO HB- 4.50 (# 3938:20 Unique 2.81, 3.68 A) &rst ixpk= 3938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 770, 771, igr2= 776, 777, &end # # 10 ASN HD2- 13 MET HB+ 5.50 (# 3939:20 Unique 2.44, 3.66 A) &rst ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 144, 145, igr2= 181, 182, &end # # 0 AMB 20-2:3940 0 AMB 20-1:3940 5.50 (# 3940:20 Double Ambig) &rst ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 160, 225,1786, igr2= 181, 182, 181, 182, 181, 182, &end # # 151 LEU HB- 74 ARG HB- 5.50 (# 3941:20 Unique 2.10, 3.20 A) &rst ixpk= 3941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2276,2277, igr2=1058,1059, &end # # 0 AMB 20-2:3942 14 GLY HA- 4.50 (# 3942:20 Single Ambig) &rst ixpk= 3942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1765,1858, igr2= 196, 197, &end # # 122 TYR HB+ 14 GLY HA+ 5.50 (# 3943:20 Unique 2.58, 3.13 A) &rst ixpk= 3943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1831,1832, igr2= 196, 197, &end # # 122 TYR HB+ 14 GLY HA- 5.50 (# 3944:20 Unique 2.58, 3.13 A) &rst ixpk= 3944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1831,1832, igr2= 196, 197, &end # # 0 AMB 20-2:3945 0 AMB 20-1:3945 5.50 (# 3945:20 Double Ambig) &rst ixpk= 3945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 801, 802,1852,1853,1605, igr2=1581,1582, 196, 197,1581,1582, &end # # 0 AMB 20-2:3946 0 AMB 20-1:3946 5.50 (# 3946:20 Double Ambig) &rst ixpk= 3946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2179,2180, 184, 185,1855,1856, igr2=2192,2193, 196, 197, &end # # 0 AMB 20-2:3947 14 GLY HA- 5.50 (# 3947:20 Single Ambig) &rst ixpk= 3947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1866,1867,1852,1853, igr2= 196, 197, &end # # 18 ALA HN 15 ASP HA 5.50 (# 3948:20 Unique 4.57, 5.12 A) &rst ixpk= 3948, nxpk= 20, iat= 232, 203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3949 15 ASP HA 5.50 (# 3949:20 Single Ambig) &rst ixpk= 3949, nxpk= 20, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1934,1935,1885,1886,1887, &end # # 16 ASP HN 15 ASP HB+ 5.50 (# 3951:20 Unique 2.95, 3.65 A) &rst ixpk= 3951, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 16 ASP HN 15 ASP HB- 5.50 (# 3952:20 Unique 2.95, 3.65 A) &rst ixpk= 3952, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 17 GLY HN 15 ASP HB+ 5.50 (# 3953:20 Unique 4.93, 5.18 A) &rst ixpk= 3953, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 17 GLY HN 15 ASP HB- 5.50 (# 3954:20 Unique 4.93, 5.18 A) &rst ixpk= 3954, nxpk= 20, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 205, 206, &end # # 63 ALA HN 16 ASP HB+ 5.50 (# 3955:20 Unique 5.86, 6.12 A) &rst ixpk= 3955, nxpk= 20, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 217, 218, &end # # 13 MET HN 16 ASP HB+ 5.50 (# 3956:20 Unique 3.44, 4.35 A) &rst ixpk= 3956, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 217, 218, &end # # 13 MET HN 16 ASP HB- 5.50 (# 3957:20 Unique 3.44, 4.35 A) &rst ixpk= 3957, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 217, 218, &end # # 0 AMB 20-2:3958 0 AMB 20-1:3958 5.50 (# 3958:20 Double Ambig) &rst ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1227,1247, igr2=1217,1218,1217,1218, &end # # 0 AMB 20-2:3959 84 MET HG- 5.50 (# 3959:20 Single Ambig) &rst ixpk= 3959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1227,1247, igr2=1217,1218, &end # # 85 PHE HD 84 MET HG+ 5.50 (# 3961:20 Unique 5.38, 7.78 A) &rst ixpk= 3961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1235,1243, igr2=1217,1218, &end # # 85 PHE HD 84 MET HG- 5.50 (# 3962:20 Unique 5.38, 7.78 A) &rst ixpk= 3962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1235,1243, igr2=1217,1218, &end # # 64 THR HB 66 MET HG+ 5.50 (# 3963:20 Unique 2.74, 3.58 A) &rst ixpk= 3963, nxpk= 20, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 949, 950, &end # # 87 MET HN 85 PHE HA 5.50 (# 3964:20 Unique 3.63, 3.86 A) &rst ixpk= 3964, nxpk= 20, iat=1264,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 MET HN 85 PHE HA 5.50 (# 3965:20 Unique 5.18, 5.31 A) &rst ixpk= 3965, nxpk= 20, iat=1210,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:3966 85 PHE HA 5.50 (# 3966:20 Single Ambig) &rst ixpk= 3966, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1268,1269,1251,1252, 949, 950, &end # # 84 MET HB- 85 PHE HA 5.50 (# 3967:20 Unique 4.10, 4.47 A) &rst ixpk= 3967, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1214,1215, &end # # 88 THR MG2 85 PHE HA 5.50 (# 3968:20 Unique 2.85, 5.09 A) &rst ixpk= 3968, nxpk= 20, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1287,1288,1289, &end # # 94 LEU HN 85 PHE HB+ 5.50 (# 3969:20 Unique 2.74, 3.45 A) &rst ixpk= 3969, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1231,1232, &end # # 94 LEU HN 85 PHE HB- 4.50 (# 3970:20 Unique 2.74, 3.45 A) &rst ixpk= 3970, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1231,1232, &end # # 84 MET HN 85 PHE HB+ 5.50 (# 3971:20 Unique 4.46, 5.30 A) &rst ixpk= 3971, nxpk= 20, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1231,1232, &end # # 88 THR MG2 85 PHE HB+ 5.50 (# 3972:20 Unique 5.00, 6.94 A) &rst ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1287,1288,1289, igr2=1231,1232, &end # # 131 ALA HN 130 ASP HA 4.50 (# 3975:20 Unique 3.54, 3.55 A) &rst ixpk= 3975, nxpk= 20, iat=1977,1967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:3977 86 MET HA 5.50 (# 3977:20 Single Ambig) &rst ixpk= 3977, nxpk= 20, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1231,1232,1313,1314, &end # # 0 AMB 20-2:3978 0 AMB 20-1:3978 4.50 (# 3978:20 Double Ambig) &rst ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1264,1309, igr2=1271,1272,1251,1252, &end # # 86 MET HA 86 MET HB+ 2.80 (# 3979:20 Unique 2.26, 2.41 A) &rst ixpk= 3979, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1251,1252, &end # # 87 MET HN 87 MET HA 4.50 (# 3980:20 Unique 2.80, 2.84 A) &rst ixpk= 3980, nxpk= 20, iat=1264,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 LEU HN 67 GLY HA- 4.50 (# 3981:20 Unique 3.11, 3.36 A) &rst ixpk= 3981, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 961, 962, &end # # 68 LEU HN 67 GLY HA+ 4.50 (# 3982:20 Unique 3.11, 3.36 A) &rst ixpk= 3982, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 961, 962, &end # # 0 AMB 20-2:3985 40 GLY HA- 3.50 (# 3985:20 Single Ambig) &rst ixpk= 3985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 128, 558, igr2= 542, 543, &end # # 45 ASN HN 45 ASN HB- 3.50 (# 3986:20 Unique 2.12, 2.85 A) &rst ixpk= 3986, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 601, 602, &end # # 0 AMB 20-2:3987 50 ILE HB 2.80 (# 3987:20 Single Ambig) &rst ixpk= 3987, nxpk= 20, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 681, 682, 683, 678, 679, &end # # 138 ARG HN 137 GLN HG+ 5.50 (# 3990:20 Unique 2.72, 3.21 A) &rst ixpk= 3990, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2076,2077, &end # # 138 ARG HN 137 GLN HG- 5.50 (# 3991:20 Unique 2.72, 3.21 A) &rst ixpk= 3991, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2076,2077, &end # # 72 GLU HN 72 GLU HB- 4.50 (# 3992:20 Unique 2.24, 2.92 A) &rst ixpk= 3992, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1024,1025, &end # # 103 GLU HA 103 GLU HB- 2.80 (# 3993:20 Unique 2.23, 2.60 A) &rst ixpk= 3993, nxpk= 20, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1537,1538, &end # # 34 TRP HZ2 139 LEU MDX 5.50 (# 3994:20 Unique 4.42, 7.17 A) &rst ixpk= 3994, nxpk= 20, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:3995 139 LEU MDX 4.50 (# 3995:20 Single Ambig) &rst ixpk= 3995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 446,2056,2065, igr2=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HN 139 LEU MDX 3.50 (# 3996:20 Unique 2.00, 3.85 A) &rst ixpk= 3996, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:3997 21 LEU HG 3.50 (# 3997:20 Single Ambig) &rst ixpk= 3997, nxpk= 20, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 339, 340, 339, 340, &end # # 34 TRP HE1 139 LEU MDX 5.50 (# 4001:20 Unique 3.18, 5.06 A) &rst ixpk= 4001, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 31 LYS HN 139 LEU MDX 5.50 (# 4002:20 Unique 3.41, 6.56 A) &rst ixpk= 4002, nxpk= 20, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 137 GLN HN 139 LEU MDX 5.50 (# 4003:20 Unique 4.69, 7.20 A) &rst ixpk= 4003, nxpk= 20, iat=2069, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 140 GLU HN 139 LEU MDX 5.50 (# 4004:20 Unique 4.54, 5.61 A) &rst ixpk= 4004, nxpk= 20, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 138 ARG HN 139 LEU MDX 5.50 (# 4005:20 Unique 3.41, 5.84 A) &rst ixpk= 4005, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 36 VAL HA 139 LEU MDX 5.50 (# 4007:20 Unique 5.76, 7.78 A) &rst ixpk= 4007, nxpk= 20, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 137 GLN HA 139 LEU MDX 5.50 (# 4008:20 Unique 4.97, 7.33 A) &rst ixpk= 4008, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 136 TYR HB+ 139 LEU MDX 5.50 (# 4009:20 Unique 4.40, 6.84 A) &rst ixpk= 4009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2052,2053, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:4010 139 LEU MDX 5.50 (# 4010:20 Single Ambig) &rst ixpk= 4010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 416, 417, 286, 287, igr2=2119,2120,2121,2123,2124,2125, &end # # 148 PHE HB+ 111 LEU MDX 5.50 (# 4011:20 Unique 2.98, 5.29 A) &rst ixpk= 4011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2229,2230, igr2=1665,1666,1667,1669,1670,1671, &end # # 22 LEU MDY 139 LEU MDX 2.80 (# 4012:20 Unique 2.88, 5.65 A) &rst ixpk= 4012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 291, 292, 293, 295, 296, 297, igr2=2119,2120,2121,2123,2124,2125, &end # # 135 VAL HA 111 LEU MDX 5.50 (# 4013:20 Unique 3.91, 5.23 A) &rst ixpk= 4013, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 127 PRO HA 126 GLN HB+ 5.50 (# 4014:20 Unique 4.27, 5.15 A) &rst ixpk= 4014, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1897,1898, &end # # 127 PRO HA 126 GLN HB- 5.50 (# 4015:20 Unique 4.27, 5.15 A) &rst ixpk= 4015, nxpk= 20, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1897,1898, &end # # 126 GLN HN 126 GLN HB- 4.50 (# 4016:20 Unique 2.13, 2.40 A) &rst ixpk= 4016, nxpk= 20, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1897,1898, &end # # 127 PRO HD- 126 GLN HB+ 5.50 (# 4017:20 Unique 2.14, 3.37 A) &rst ixpk= 4017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1911,1912, igr2=1897,1898, &end # # 127 PRO HD- 126 GLN HB- 4.50 (# 4018:20 Unique 2.14, 3.37 A) &rst ixpk= 4018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1911,1912, igr2=1897,1898, &end # # 126 GLN HE2- 126 GLN HB+ 5.50 (# 4019:20 Unique 3.55, 4.50 A) &rst ixpk= 4019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1905,1906, igr2=1897,1898, &end # # 126 GLN HE2- 126 GLN HB- 5.50 (# 4020:20 Unique 3.55, 4.50 A) &rst ixpk= 4020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1905,1906, igr2=1897,1898, &end # # 97 LEU HN 97 LEU HG 4.50 (# 4022:20 Unique 3.74, 3.99 A) &rst ixpk= 4022, nxpk= 20, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 ARG HN 0 AMB 20-1:4023 5.50 (# 4023:20 Single Ambig) &rst ixpk= 4023, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 804, 805, 804, 805, &end # # 57 ARG HB- 0 AMB 20-1:4025 2.80 (# 4025:20 Single Ambig) &rst ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 801, 802, igr2= 804, 805, 804, 805, &end # # 0 AMB 20-2:4026 0 AMB 20-1:4026 2.80 (# 4026:20 Double Ambig) &rst ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1590,1591, 801, 802, 801, 802, igr2= 804, 805, 804, 805, 804, 805, &end # # 0 AMB 20-2:4028 94 LEU MDX 4.50 (# 4028:20 Single Ambig) &rst ixpk= 4028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1371, 128, igr2=1380,1381,1382,1384,1385,1386, &end # # 0 AMB 20-2:4029 0 AMB 20-1:4029 5.50 (# 4029:20 Double Ambig) &rst ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1492,1475, igr2=1518,1519,1518,1519, &end # # 103 GLU HN 102 LYS HG+ 5.50 (# 4030:20 Unique 2.33, 3.41 A) &rst ixpk= 4030, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1518,1519, &end # # 102 LYS HN 102 LYS HG- 4.50 (# 4031:20 Unique 2.86, 3.81 A) &rst ixpk= 4031, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1518,1519, &end # # 0 AMB 20-2:4032 94 LEU MDY 3.50 (# 4032:20 Single Ambig) &rst ixpk= 4032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 572, 573, 572, 573, igr2=1380,1381,1382,1384,1385,1386, &end # # 62 ASP HB- 94 LEU MDY 5.50 (# 4033:20 Unique 4.05, 6.51 A) &rst ixpk= 4033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 898, 899, igr2=1380,1381,1382,1384,1385,1386, &end # # 62 ASP HB+ 94 LEU MDY 4.50 (# 4034:20 Unique 4.05, 6.51 A) &rst ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 898, 899, igr2=1380,1381,1382,1384,1385,1386, &end # # 43 PRO HD- 94 LEU MDY 5.50 (# 4035:20 Unique 2.97, 5.36 A) &rst ixpk= 4035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 569, 570, igr2=1380,1381,1382,1384,1385,1386, &end # # 43 PRO HD+ 94 LEU MDY 5.50 (# 4036:20 Unique 2.97, 5.36 A) &rst ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 569, 570, igr2=1380,1381,1382,1384,1385,1386, &end # # 0 AMB 20-2:4037 94 LEU MDY 5.50 (# 4037:20 Single Ambig) &rst ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 549,1367, 578, igr2=1380,1381,1382,1384,1385,1386, &end # # 0 AMB 20-2:4041 94 LEU MDY 5.50 (# 4041:20 Single Ambig) &rst ixpk= 4041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1371, 128, igr2=1380,1381,1382,1384,1385,1386, &end # # 34 TRP HE1 59 LEU MDX 5.50 (# 4042:20 Unique 4.76, 7.50 A) &rst ixpk= 4042, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 139 LEU MDY 61 VAL MGY 5.50 (# 4043:20 Unique 3.64, 7.39 A) &rst ixpk= 4043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=2119,2120,2121,2123,2124,2125, igr2= 884, 885, 886, 888, 889, 890, &end # # 134 THR HB 131 ALA MB 5.50 (# 4045:20 Unique 4.10, 4.60 A) &rst ixpk= 4045, nxpk= 20, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1981,1982,1983, &end # # 0 AMB 20-2:4046 131 ALA MB 5.50 (# 4046:20 Single Ambig) &rst ixpk= 4046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1684,1728, igr2=1981,1982,1983, &end # # 73 ILE QG2 131 ALA MB 5.50 (# 4047:20 Unique 4.08, 6.26 A) &rst ixpk= 4047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2=1981,1982,1983, &end # # 59 LEU HA 109 ILE QG2 4.50 (# 4048:20 Unique 3.31, 4.72 A) &rst ixpk= 4048, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1623,1624,1625, &end # # 110 PHE HB+ 109 ILE QG2 5.50 (# 4049:20 Unique 4.81, 5.86 A) &rst ixpk= 4049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1640,1641, igr2=1623,1624,1625, &end # # 44 GLU HN 42 ALA MB 5.50 (# 4050:20 Unique 4.09, 5.05 A) &rst ixpk= 4050, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 562, 563, 564, &end # # 75 ILE HN 73 ILE QG2 5.50 (# 4051:20 Unique 4.60, 5.92 A) &rst ixpk= 4051, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 73 ILE HA 73 ILE QD1 4.50 (# 4053:20 Unique 4.08, 4.55 A) &rst ixpk= 4053, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1048,1049,1050, &end # # 71 GLY HA+ 73 ILE QD1 5.50 (# 4054:20 Unique 4.78, 5.67 A) &rst ixpk= 4054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1015,1016, igr2=1048,1049,1050, &end # # 135 VAL HA 73 ILE QD1 5.50 (# 4055:20 Unique 5.05, 6.24 A) &rst ixpk= 4055, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1048,1049,1050, &end # # 15 ASP HN 124 MET ME 5.50 (# 4057:20 Unique 5.39, 6.62 A) &rst ixpk= 4057, nxpk= 20, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1873,1874,1875, &end # # 57 ARG HN 57 ARG HA 5.50 (# 4061:20 Unique 2.89, 2.92 A) &rst ixpk= 4061, nxpk= 20, iat= 797, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 MET HG- 87 MET HA 3.50 (# 4062:20 Unique 2.49, 3.20 A) &rst ixpk= 4062, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1271,1272, &end # # 111 LEU HN 110 PHE HA 2.80 (# 4063:20 Unique 2.24, 2.28 A) &rst ixpk= 4063, nxpk= 20, iat=1656,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 44 GLU HA 44 GLU HG+ 3.50 (# 4064:20 Unique 2.95, 3.90 A) &rst ixpk= 4064, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 589, 590, &end # # 44 GLU HA 44 GLU HG- 3.50 (# 4065:20 Unique 2.95, 3.90 A) &rst ixpk= 4065, nxpk= 20, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 589, 590, &end # # 155 GLU HN 0 AMB 20-1:4066 3.50 (# 4066:20 Single Ambig) &rst ixpk= 4066, nxpk= 20, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=2339,2340,2339,2340, &end # # 45 ASN HN 44 GLU HG+ 3.50 (# 4067:20 Unique 2.26, 3.63 A) &rst ixpk= 4067, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 589, 590, &end # # 45 ASN HN 44 GLU HG- 3.50 (# 4068:20 Unique 2.26, 3.63 A) &rst ixpk= 4068, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 589, 590, &end # # 96 TYR HD 44 GLU HG+ 5.50 (# 4069:20 Unique 4.99, 7.17 A) &rst ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2= 589, 590, &end # # 96 TYR HD 44 GLU HG- 5.50 (# 4070:20 Unique 4.99, 7.17 A) &rst ixpk= 4070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2= 589, 590, &end # # 42 ALA MB 44 GLU HG+ 5.50 (# 4071:20 Unique 3.45, 5.91 A) &rst ixpk= 4071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 562, 563, 564, igr2= 589, 590, &end # # 42 ALA MB 44 GLU HG- 4.50 (# 4072:20 Unique 3.45, 5.91 A) &rst ixpk= 4072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 562, 563, 564, igr2= 589, 590, &end # # 55 PRO HD+ 105 ILE HG1+ 5.50 (# 4073:20 Unique 2.17, 3.65 A) &rst ixpk= 4073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 770, 771, igr2=1570,1571, &end # # 0 AMB 20-2:4074 0 AMB 20-1:4074 5.50 (# 4074:20 Double Ambig) &rst ixpk= 4074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 770, 771,1513, igr2=1570,1571,1570,1571, &end # # 104 ASP HB+ 105 ILE HG1+ 5.50 (# 4075:20 Unique 2.48, 4.41 A) &rst ixpk= 4075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1552,1553, igr2=1570,1571, &end # # 105 ILE HN 105 ILE HG1+ 4.50 (# 4076:20 Unique 2.24, 3.01 A) &rst ixpk= 4076, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1570,1571, &end # # 91 ASN HN 90 HIS HA 5.50 (# 4077:20 Unique 2.19, 2.61 A) &rst ixpk= 4077, nxpk= 20, iat=1326,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 107 GLU HN 107 GLU HA 4.50 (# 4078:20 Unique 2.95, 2.99 A) &rst ixpk= 4078, nxpk= 20, iat=1586,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 GLU HB+ 107 GLU HA 2.80 (# 4079:20 Unique 2.38, 2.78 A) &rst ixpk= 4079, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1590,1591, &end # # 0 AMB 20-2:4080 0 AMB 20-1:4080 2.80 (# 4080:20 Double Ambig) &rst ixpk= 4080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1268,1269, 164, 165, igr2=1266, 162, &end # # 12 MET HN 12 MET HA 3.50 (# 4081:20 Unique 2.97, 2.98 A) &rst ixpk= 4081, nxpk= 20, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 90 HIS HB+ 90 HIS HA 3.50 (# 4082:20 Unique 2.40, 2.70 A) &rst ixpk= 4082, nxpk= 20, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1313,1314, &end # # 0 AMB 20-2:4083 107 GLU HA 2.80 (# 4083:20 Single Ambig) &rst ixpk= 4083, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1590,1591,1605, &end # # 0 AMB 20-2:4084 107 GLU HA 5.50 (# 4084:20 Single Ambig) &rst ixpk= 4084, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, &end # # 90 HIS HB- 91 ASN HA 5.50 (# 4088:20 Unique 4.09, 5.08 A) &rst ixpk= 4088, nxpk= 20, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1313,1314, &end # # 0 AMB 20-2:4089 0 AMB 20-1:4089 4.50 (# 4089:20 Double Ambig) &rst ixpk= 4089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1340,1326, igr2=1330,1331,1330,1331, &end # # 0 AMB 20-2:4090 91 ASN HB- 5.50 (# 4090:20 Single Ambig) &rst ixpk= 4090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1281,1247, igr2=1330,1331, &end # # 86 MET HA 91 ASN HB- 5.50 (# 4091:20 Unique 2.09, 2.64 A) &rst ixpk= 4091, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1330,1331, &end # # 121 TYR HB+ 120 PHE HB+ 5.50 (# 4092:20 Unique 3.64, 5.07 A) &rst ixpk= 4092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1810,1811, igr2=1790,1791, &end # # 0 AMB 20-2:4093 0 AMB 20-1:4093 3.50 (# 4093:20 Double Ambig) &rst ixpk= 4093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1808, 153, 154, 151, 584,1373, igr2= 162, 599,1342, &end # # 115 PRO HD- 65 ASP HA 4.50 (# 4094:20 Unique 2.09, 2.81 A) &rst ixpk= 4094, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1719,1720, &end # # 88 THR MG2 87 MET HA 5.50 (# 4095:20 Unique 5.13, 6.23 A) &rst ixpk= 4095, nxpk= 20, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1287,1288,1289, &end # # 96 TYR HD 93 PRO HA 5.50 (# 4096:20 Unique 4.59, 6.87 A) &rst ixpk= 4096, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1412,1421, &end # # 93 PRO HD- 93 PRO HA 5.50 (# 4097:20 Unique 3.51, 3.84 A) &rst ixpk= 4097, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1358,1359, &end # # 93 PRO HD+ 93 PRO HA 5.50 (# 4098:20 Unique 3.51, 3.84 A) &rst ixpk= 4098, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1358,1359, &end # # 94 LEU HG 93 PRO HA 5.50 (# 4099:20 Unique 4.70, 5.34 A) &rst ixpk= 4099, nxpk= 20, iat=1378,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 LEU MDY 93 PRO HA 5.50 (# 4100:20 Unique 5.79, 7.15 A) &rst ixpk= 4100, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1380,1381,1382,1384,1385,1386, &end # # 96 TYR HN 93 PRO HB+ 5.50 (# 4101:20 Unique 3.30, 4.62 A) &rst ixpk= 4101, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1364,1365, &end # # 94 LEU HN 93 PRO HB+ 5.50 (# 4102:20 Unique 4.34, 4.56 A) &rst ixpk= 4102, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1364,1365, &end # # 0 AMB 20-2:4103 0 AMB 20-1:4103 5.50 (# 4103:20 Double Ambig) &rst ixpk= 4103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1390,1340, igr2=1364,1365,1364,1365, &end # # 96 TYR HD 93 PRO HB+ 5.50 (# 4104:20 Unique 2.80, 6.31 A) &rst ixpk= 4104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2=1364,1365, &end # # 95 ASN HD2+ 93 PRO HB+ 5.50 (# 4105:20 Unique 2.34, 3.69 A) &rst ixpk= 4105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1399,1400, igr2=1364,1365, &end # # 96 TYR HN 93 PRO HB- 4.50 (# 4106:20 Unique 3.30, 4.62 A) &rst ixpk= 4106, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1364,1365, &end # # 120 PHE HD 12 MET HB- 5.50 (# 4107:20 Unique 4.98, 7.42 A) &rst ixpk= 4107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1794,1802, igr2= 164, 165, &end # # 93 PRO HA 93 PRO HB- 3.50 (# 4108:20 Unique 2.30, 2.54 A) &rst ixpk= 4108, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1364,1365, &end # # 93 PRO HD- 93 PRO HB- 3.50 (# 4109:20 Unique 2.75, 3.66 A) &rst ixpk= 4109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1358,1359, igr2=1364,1365, &end # # 0 AMB 20-2:4110 0 AMB 20-1:4110 3.50 (# 4110:20 Double Ambig) &rst ixpk= 4110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1358,1359, 153, 154, igr2=1364,1365, 164, 165, &end # # 0 AMB 20-2:4111 0 AMB 20-1:4111 5.50 (# 4111:20 Double Ambig) &rst ixpk= 4111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1408,1409,1408,1409, igr2=1364,1365,1364,1365, &end # # 0 AMB 20-2:4112 93 PRO HB- 4.50 (# 4112:20 Single Ambig) &rst ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1408,1409,1408,1409, igr2=1364,1365, &end # # 96 TYR HN 0 AMB 20-1:4113 5.50 (# 4113:20 Single Ambig) &rst ixpk= 4113, nxpk= 20, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1361,1362,1361,1362, &end # # 86 MET HB- 93 PRO HD+ 4.50 (# 4114:20 Unique 3.72, 6.03 A) &rst ixpk= 4114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1251,1252, igr2=1358,1359, &end # # 94 LEU HN 94 LEU HA 3.50 (# 4115:20 Unique 2.64, 2.72 A) &rst ixpk= 4115, nxpk= 20, iat=1371,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 98 ILE HN 94 LEU HA 5.50 (# 4116:20 Unique 4.35, 5.06 A) &rst ixpk= 4116, nxpk= 20, iat=1444,1373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 LEU HN 94 LEU HB+ 3.50 (# 4117:20 Unique 2.02, 2.84 A) &rst ixpk= 4117, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1375,1376, &end # # 94 LEU HN 94 LEU HB- 4.50 (# 4118:20 Unique 2.02, 2.84 A) &rst ixpk= 4118, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1375,1376, &end # # 0 AMB 20-2:4119 0 AMB 20-1:4119 4.50 (# 4119:20 Double Ambig) &rst ixpk= 4119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1390,1340, igr2=1375,1376,1375,1376, &end # # 0 AMB 20-2:4120 94 LEU HB- 4.50 (# 4120:20 Single Ambig) &rst ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1390,1340, igr2=1375,1376, &end # # 0 AMB 20-2:4121 0 AMB 20-1:4121 5.50 (# 4121:20 Double Ambig) &rst ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1227,1185, igr2=1375,1376,1375,1376, &end # # 0 AMB 20-2:4122 94 LEU HB- 5.50 (# 4122:20 Single Ambig) &rst ixpk= 4122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1227,1185, igr2=1375,1376, &end # # 93 PRO HA 94 LEU HB+ 5.50 (# 4123:20 Unique 4.31, 5.19 A) &rst ixpk= 4123, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1375,1376, &end # # 93 PRO HA 94 LEU HB- 5.50 (# 4124:20 Unique 4.31, 5.19 A) &rst ixpk= 4124, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1375,1376, &end # # 0 AMB 20-2:4126 0 AMB 20-1:4126 3.50 (# 4126:20 Double Ambig) &rst ixpk= 4126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1638, 861, igr2= 869, 870, 869, 870, &end # # 145 ASN HB+ 75 ILE HG1- 4.50 (# 4127:20 Unique 2.06, 4.09 A) &rst ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2201,2202, igr2=1088,1089, &end # # 145 ASN HB+ 75 ILE HG1+ 4.50 (# 4128:20 Unique 2.06, 4.09 A) &rst ixpk= 4128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2201,2202, igr2=1088,1089, &end # # 74 ARG HA 75 ILE HG1- 4.50 (# 4129:20 Unique 3.78, 4.77 A) &rst ixpk= 4129, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1088,1089, &end # # 74 ARG HA 0 AMB 20-1:4130 4.50 (# 4130:20 Single Ambig) &rst ixpk= 4130, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2=1061,1062,1088,1089, &end # # 93 PRO HD- 94 LEU HG 5.50 (# 4131:20 Unique 5.14, 5.99 A) &rst ixpk= 4131, nxpk= 20, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1358,1359, &end # # 0 AMB 20-2:4132 0 AMB 20-1:4132 5.50 (# 4132:20 Double Ambig) &rst ixpk= 4132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 644, 625, igr2= 694, 695, 694, 695, &end # # 55 PRO HD+ 105 ILE HG1- 4.50 (# 4133:20 Unique 2.17, 3.65 A) &rst ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 770, 771, igr2=1570,1571, &end # # 47 ILE HA 97 LEU HG 5.50 (# 4134:20 Unique 4.67, 5.58 A) &rst ixpk= 4134, nxpk= 20, iat= 625,1432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 ASP HB+ 105 ILE HG1- 4.50 (# 4135:20 Unique 2.48, 4.41 A) &rst ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1552,1553, igr2=1570,1571, &end # # 0 AMB 20-2:4136 94 LEU MDX 2.80 (# 4136:20 Single Ambig) &rst ixpk= 4136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 572, 573, 572, 573, igr2=1380,1381,1382,1384,1385,1386, &end # # 59 LEU HN 5 LEU HA 4.50 (# 4137:20 Unique 2.59, 2.80 A) &rst ixpk= 4137, nxpk= 20, iat= 840, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 LEU HA 5 LEU HA 4.50 (# 4138:20 Unique 4.19, 4.39 A) &rst ixpk= 4138, nxpk= 20, iat= 823, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4139 3 ASP HA 4.50 (# 4139:20 Single Ambig) &rst ixpk= 4139, nxpk= 20, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 801, 802, 776, 777, &end # # 36 VAL HN 4 VAL HA 5.50 (# 4141:20 Unique 4.93, 5.24 A) &rst ixpk= 4141, nxpk= 20, iat= 486, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 VAL HN 4 VAL HB 5.50 (# 4142:20 Unique 5.17, 5.41 A) &rst ixpk= 4142, nxpk= 20, iat= 470, 51, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 TRP HB- 5 LEU HB+ 5.50 (# 4143:20 Unique 2.31, 3.41 A) &rst ixpk= 4143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 450, 451, igr2= 67, 68, &end # # 5 LEU HG 5 LEU HB+ 4.50 (# 4144:20 Unique 2.32, 2.74 A) &rst ixpk= 4144, nxpk= 20, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 67, 68, &end # # 59 LEU MDX 5 LEU HB- 5.50 (# 4145:20 Unique 3.47, 6.68 A) &rst ixpk= 4145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 849, 850, 851, 853, 854, 855, igr2= 67, 68, &end # # 37 ILE HN 5 LEU MDX 5.50 (# 4146:20 Unique 2.93, 5.49 A) &rst ixpk= 4146, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 0 AMB 20-2:4147 6 LEU HB- 3.50 (# 4147:20 Single Ambig) &rst ixpk= 4147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 830, 831, 832, 834, 835, 836, 91, 92, 93, 95, 96, 97, igr2= 86, 87, &end # # 0 AMB 20-2:4148 0 AMB 20-1:4148 5.50 (# 4148:20 Double Ambig) &rst ixpk= 4148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 506,1499, igr2= 86, 87, 86, 87, &end # # 82 ALA HN 81 ILE HG1- 5.50 (# 4149:20 Unique 4.22, 4.66 A) &rst ixpk= 4149, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1176,1177, &end # # 98 ILE HN 97 LEU MDY 5.50 (# 4150:20 Unique 3.06, 4.85 A) &rst ixpk= 4150, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 43 PRO HA 6 LEU MDX 4.50 (# 4151:20 Unique 3.30, 4.76 A) &rst ixpk= 4151, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 91, 92, 93, 95, 96, 97, &end # # 136 TYR HN 135 VAL MGX 4.50 (# 4153:20 Unique 2.38, 4.23 A) &rst ixpk= 4153, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=2038,2039,2040,2042,2043,2044, &end # # 0 AMB 20-2:4155 108 VAL MGX 4.50 (# 4155:20 Single Ambig) &rst ixpk= 4155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1586,1560, igr2=1607,1608,1609,1611,1612,1613, &end # # 0 AMB 20-2:4156 0 AMB 20-1:4156 5.50 (# 4156:20 Double Ambig) &rst ixpk= 4156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 301, 282, igr2= 105, 106, 105, 106, &end # # 19 GLY HA+ 7 CYS HB- 4.50 (# 4157:20 Unique 2.67, 3.76 A) &rst ixpk= 4157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 244, 245, igr2= 105, 106, &end # # 19 GLY HA- 7 CYS HB+ 5.50 (# 4158:20 Unique 2.67, 3.76 A) &rst ixpk= 4158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 244, 245, igr2= 105, 106, &end # # 19 GLY HA- 7 CYS HB- 5.50 (# 4159:20 Unique 2.67, 3.76 A) &rst ixpk= 4159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 244, 245, igr2= 105, 106, &end # # 23 ALA MB 7 CYS HB- 3.50 (# 4160:20 Unique 2.21, 3.42 A) &rst ixpk= 4160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 305, 306, 307, igr2= 105, 106, &end # # 0 AMB 20-2:4161 7 CYS HB- 5.50 (# 4161:20 Single Ambig) &rst ixpk= 4161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 291, 292, 293, 295, 296, 297, 91, 92, 93, 95, 96, 97, 492, 493, 494, 496, 497, 498, igr2= 105, 106, &end # # 6 LEU HG 8 VAL HA 5.50 (# 4162:20 Unique 4.27, 4.51 A) &rst ixpk= 4162, nxpk= 20, iat= 89, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 GLY HN 8 VAL MGX 5.50 (# 4164:20 Unique 3.82, 5.81 A) &rst ixpk= 4164, nxpk= 20, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 118, 119, 120, 122, 123, 124, &end # # 62 ASP HB+ 8 VAL MGX 3.50 (# 4165:20 Unique 2.64, 4.83 A) &rst ixpk= 4165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 898, 899, igr2= 118, 119, 120, 122, 123, 124, &end # # 73 ILE QG2 135 VAL MGX 5.50 (# 4166:20 Unique 2.26, 5.02 A) &rst ixpk= 4166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1041,1042,1043, igr2=2038,2039,2040,2042,2043,2044, &end # # 46 ASP HB+ 8 VAL MGX 5.50 (# 4167:20 Unique 5.53, 7.77 A) &rst ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 615, 616, igr2= 118, 119, 120, 122, 123, 124, &end # # 19 GLY HA+ 8 VAL MGX 5.50 (# 4168:20 Unique 4.88, 6.56 A) &rst ixpk= 4168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 244, 245, igr2= 118, 119, 120, 122, 123, 124, &end # # 39 GLY HA- 8 VAL MGX 5.50 (# 4169:20 Unique 2.81, 5.83 A) &rst ixpk= 4169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 535, 536, igr2= 118, 119, 120, 122, 123, 124, &end # # 8 VAL MGY 9 GLY HA+ 5.50 (# 4170:20 Unique 3.20, 5.76 A) &rst ixpk= 4170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124, igr2= 130, 131, &end # # 13 MET HN 10 ASN HB+ 5.50 (# 4171:20 Unique 3.26, 4.33 A) &rst ixpk= 4171, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 139, 140, &end # # 12 MET HA 11 SER HB+ 5.50 (# 4172:20 Unique 4.34, 4.73 A) &rst ixpk= 4172, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 153, 154, &end # # 12 MET HA 11 SER HB- 5.50 (# 4173:20 Unique 4.34, 4.73 A) &rst ixpk= 4173, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 153, 154, &end # # 12 MET HN 11 SER HB+ 4.50 (# 4174:20 Unique 3.16, 3.80 A) &rst ixpk= 4174, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 153, 154, &end # # 48 VAL MGY 45 ASN HA 4.50 (# 4175:20 Unique 4.75, 7.02 A) &rst ixpk= 4175, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 648, 649, 650, 652, 653, 654, &end # # 48 VAL MGX 45 ASN HA 5.50 (# 4176:20 Unique 4.75, 7.02 A) &rst ixpk= 4176, nxpk= 20, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 648, 649, 650, 652, 653, 654, &end # # 114 GLN HN 114 GLN HG- 5.50 (# 4177:20 Unique 4.48, 4.54 A) &rst ixpk= 4177, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1708,1709, &end # # 71 GLY HN 114 GLN HG- 5.50 (# 4178:20 Unique 3.74, 4.15 A) &rst ixpk= 4178, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1708,1709, &end # # 12 MET HN 12 MET HB+ 4.50 (# 4179:20 Unique 2.97, 3.35 A) &rst ixpk= 4179, nxpk= 20, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 164, 165, &end # # 57 ARG HA 107 GLU HB- 5.50 (# 4180:20 Unique 3.34, 4.09 A) &rst ixpk= 4180, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1590,1591, &end # # 107 GLU HA 107 GLU HB- 2.80 (# 4182:20 Unique 2.38, 2.78 A) &rst ixpk= 4182, nxpk= 20, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1590,1591, &end # # 0 AMB 20-2:4183 0 AMB 20-1:4183 5.50 (# 4183:20 Double Ambig) &rst ixpk= 4183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1281,1247,1227, igr2=1271,1272,1271,1272,1271,1272, &end # # 13 MET HN 12 MET HG+ 5.50 (# 4184:20 Unique 3.03, 3.56 A) &rst ixpk= 4184, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 167, 168, &end # # 120 PHE HA 14 GLY HA+ 5.50 (# 4186:20 Unique 5.96, 6.19 A) &rst ixpk= 4186, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 196, 197, &end # # 0 AMB 20-2:4187 0 AMB 20-1:4187 3.50 (# 4187:20 Double Ambig) &rst ixpk= 4187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1930,1931,1932,1769,1770,1771,1773,1774,1775, igr2= 205, 206, 205, 206, &end # # 118 VAL MGX 16 ASP HB- 4.50 (# 4188:20 Unique 2.33, 4.02 A) &rst ixpk= 4188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1769,1770,1771,1773,1774,1775, igr2= 217, 218, &end # # 118 VAL MGX 16 ASP HB+ 4.50 (# 4189:20 Unique 2.33, 4.02 A) &rst ixpk= 4189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1769,1770,1771,1773,1774,1775, igr2= 217, 218, &end # # 16 ASP HN 0 AMB 20-1:4190 5.50 (# 4190:20 Single Ambig) &rst ixpk= 4190, nxpk= 20, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 227, 228, 227, 228, &end # # 0 AMB 20-2:4191 18 ALA HA 5.50 (# 4191:20 Single Ambig) &rst ixpk= 4191, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1866,1867,1981,1982,1983, 882, &end # # 132 VAL MGX 18 ALA HA 5.50 (# 4192:20 Unique 2.15, 3.66 A) &rst ixpk= 4192, nxpk= 20, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1993,1994,1995,1997,1998,1999, &end # # 120 PHE HA 12 MET HG- 3.50 (# 4193:20 Unique 3.29, 4.44 A) &rst ixpk= 4193, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 167, 168, &end # # 11 SER HB- 20 PRO HB- 5.50 (# 4194:20 Unique 2.77, 3.69 A) &rst ixpk= 4194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 153, 154, igr2= 256, 257, &end # # 0 AMB 20-2:4195 0 AMB 20-1:4195 5.50 (# 4195:20 Double Ambig) &rst ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 227, 228, 227, 228, igr2= 256, 257, 256, 257, &end # # 0 AMB 20-2:4196 0 AMB 20-1:4196 4.50 (# 4196:20 Double Ambig) &rst ixpk= 4196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 267, 268, 305, 306, 307, igr2= 256, 257, 256, 257, &end # # 23 ALA MB 20 PRO HB- 4.50 (# 4197:20 Unique 4.11, 5.66 A) &rst ixpk= 4197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 305, 306, 307, igr2= 256, 257, &end # # 0 AMB 20-2:4198 0 AMB 20-1:4198 4.50 (# 4198:20 Double Ambig) &rst ixpk= 4198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 135, 745, 263, igr2= 253, 254, 773, 774, &end # # 124 MET ME 21 LEU HB+ 4.50 (# 4199:20 Unique 2.21, 3.29 A) &rst ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1873,1874,1875, igr2= 267, 268, &end # # 7 CYS HN 6 LEU HG 5.50 (# 4200:20 Unique 3.41, 3.68 A) &rst ixpk= 4200, nxpk= 20, iat= 101, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4201 113 ILE HG1- 5.50 (# 4201:20 Single Ambig) &rst ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1035, 916, igr2=1692,1693, &end # # 124 MET HA 124 MET HB+ 3.50 (# 4202:20 Unique 2.46, 2.77 A) &rst ixpk= 4202, nxpk= 20, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1866,1867, &end # # 129 LYS HE+ 21 LEU MDX 5.50 (# 4203:20 Unique 2.77, 4.48 A) &rst ixpk= 4203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1956,1957, igr2= 272, 273, 274, 276, 277, 278, &end # # 59 LEU MDX 135 VAL MGX 5.50 (# 4204:20 Unique 3.42, 6.54 A) &rst ixpk= 4204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 849, 850, 851, 853, 854, 855, igr2=2038,2039,2040,2042,2043,2044, &end # # 139 LEU HN 137 GLN HA 4.50 (# 4205:20 Unique 4.01, 4.23 A) &rst ixpk= 4205, nxpk= 20, iat=2110,2071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4206 137 GLN HA 4.50 (# 4206:20 Single Ambig) &rst ixpk= 4206, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 413, 414, 407, 408, &end # # 25 LYS HB+ 22 LEU HA 3.50 (# 4207:20 Unique 2.63, 3.56 A) &rst ixpk= 4207, nxpk= 20, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 330, 331, &end # # 145 ASN HD2- 75 ILE HG1+ 5.50 (# 4208:20 Unique 2.51, 3.44 A) &rst ixpk= 4208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2206,2207, igr2=1088,1089, &end # # 145 ASN HD2- 75 ILE HG1- 4.50 (# 4209:20 Unique 2.51, 3.44 A) &rst ixpk= 4209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2206,2207, igr2=1088,1089, &end # # 61 VAL HA 22 LEU MDX 5.50 (# 4210:20 Unique 4.98, 6.80 A) &rst ixpk= 4210, nxpk= 20, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 22 LEU HB- 22 LEU MDX 2.80 (# 4211:20 Unique 2.23, 3.25 A) &rst ixpk= 4211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 286, 287, igr2= 291, 292, 293, 295, 296, 297, &end # # 5 LEU MDY 22 LEU MDY 5.50 (# 4212:20 Unique 2.17, 4.49 A) &rst ixpk= 4212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 72, 73, 74, 76, 77, 78, igr2= 291, 292, 293, 295, 296, 297, &end # # 139 LEU HN 22 LEU MDY 5.50 (# 4214:20 Unique 5.43, 7.07 A) &rst ixpk= 4214, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:4215 23 ALA HA 5.50 (# 4215:20 Single Ambig) &rst ixpk= 4215, nxpk= 20, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 286, 287, 256, 257, &end # # 38 ASP HB- 23 ALA MB 3.50 (# 4216:20 Unique 2.32, 3.76 A) &rst ixpk= 4216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 525, 526, igr2= 305, 306, 307, &end # # 20 PRO HB+ 23 ALA MB 4.50 (# 4217:20 Unique 4.11, 5.66 A) &rst ixpk= 4217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 256, 257, igr2= 305, 306, 307, &end # # 7 CYS HB- 23 ALA MB 3.50 (# 4218:20 Unique 2.21, 3.42 A) &rst ixpk= 4218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 105, 106, igr2= 305, 306, 307, &end # # 0 AMB 20-2:4221 0 AMB 20-1:4221 3.50 (# 4221:20 Double Ambig) &rst ixpk= 4221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, igr1= 648, 649, 650, 652, 653, 654, 735, 736, 737, 739, 740, 741, igr2= 718, 719, 718, 719, &end # # 0 AMB 20-2:4222 0 AMB 20-1:4222 2.80 (# 4222:20 Double Ambig) &rst ixpk= 4222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=1518,1519, 407, 408,1061,1062, igr2=1540,1541,2136,2137,2324,2325, &end # # 49 ALA MB 52 GLU HG+ 4.50 (# 4223:20 Unique 4.11, 6.07 A) &rst ixpk= 4223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 662, 663, 664, igr2= 718, 719, &end # # 136 TYR HB- 25 LYS HB- 5.50 (# 4225:20 Unique 2.80, 3.95 A) &rst ixpk= 4225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2052,2053, igr2= 330, 331, &end # # 0 AMB 20-2:4226 0 AMB 20-1:4226 5.50 (# 4226:20 Double Ambig) &rst ixpk= 4226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=1991, 315, 316, 315, 316, igr2= 336, 337, 336, 337, 336, 337, &end # # 0 AMB 20-2:4227 0 AMB 20-1:4227 4.50 (# 4227:20 Double Ambig) &rst ixpk= 4227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1= 363, 364, 365, 330, 331, 407, 408, 333, 334, igr2= 352, 353, 352, 353, 352, 353, 352, 353, &end # # 29 ALA HN 27 ALA HA 4.50 (# 4228:20 Unique 4.17, 4.35 A) &rst ixpk= 4228, nxpk= 20, iat= 379, 361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 ALA HN 27 ALA HA 2.80 (# 4229:20 Unique 2.81, 2.82 A) &rst ixpk= 4229, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 26 CYS HB+ 27 ALA HA 5.50 (# 4230:20 Unique 4.19, 4.49 A) &rst ixpk= 4230, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 352, 353, &end # # 0 AMB 20-2:4231 49 ALA MB 4.50 (# 4231:20 Single Ambig) &rst ixpk= 4231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 735, 736, 737, 739, 740, 741, 735, 736, 737, 739, 740, 741, igr2= 662, 663, 664, &end # # 29 ALA HN 28 ALA MB 2.80 (# 4232:20 Unique 2.69, 3.57 A) &rst ixpk= 4232, nxpk= 20, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 373, 374, 375, &end # # 114 GLN HE2+ 114 GLN HG- 4.50 (# 4233:20 Unique 2.23, 3.28 A) &rst ixpk= 4233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1713,1714, igr2=1708,1709, &end # # 137 GLN HA 31 LYS HB+ 5.50 (# 4234:20 Unique 4.21, 5.73 A) &rst ixpk= 4234, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 137 GLN HA 31 LYS HB- 5.50 (# 4235:20 Unique 4.21, 5.73 A) &rst ixpk= 4235, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 407, 408, &end # # 31 LYS HE- 31 LYS HB- 5.50 (# 4236:20 Unique 2.62, 4.44 A) &rst ixpk= 4236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, igr2= 407, 408, &end # # 0 AMB 20-2:4237 31 LYS HG- 4.50 (# 4237:20 Single Ambig) &rst ixpk= 4237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2117,2133,2134, igr2= 410, 411, &end # # 0 AMB 20-2:4238 151 LEU MDY 2.80 (# 4238:20 Single Ambig) &rst ixpk= 4238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1=1214,1215,2321,2322, igr2=2281,2282,2283,2285,2286,2287, &end # # 140 GLU HB- 31 LYS HG+ 4.50 (# 4239:20 Unique 3.89, 5.82 A) &rst ixpk= 4239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2133,2134, igr2= 410, 411, &end # # 139 LEU HB+ 31 LYS HB+ 4.50 (# 4241:20 Unique 2.15, 2.70 A) &rst ixpk= 4241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2114,2115, igr2= 407, 408, &end # # 139 LEU HB+ 31 LYS HB- 5.50 (# 4242:20 Unique 2.15, 2.70 A) &rst ixpk= 4242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2114,2115, igr2= 407, 408, &end # # 0 AMB 20-2:4243 0 AMB 20-1:4243 4.50 (# 4243:20 Double Ambig) &rst ixpk= 4243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 410, 411,2114,2115, igr2= 416, 417, 416, 417, &end # # 33 ASN HB- 33 ASN HA 2.80 (# 4244:20 Unique 2.20, 2.72 A) &rst ixpk= 4244, nxpk= 20, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 436, 437, &end # # 34 TRP HN 33 ASN HA 4.50 (# 4245:20 Unique 2.65, 3.08 A) &rst ixpk= 4245, nxpk= 20, iat= 446, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 GLY HN 122 TYR HB+ 5.50 (# 4246:20 Unique 2.82, 3.64 A) &rst ixpk= 4246, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1831,1832, &end # # 37 ILE HB 37 ILE HA 3.50 (# 4247:20 Unique 3.03, 3.04 A) &rst ixpk= 4247, nxpk= 20, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 ASP HB- 37 ILE HA 4.50 (# 4248:20 Unique 4.18, 4.60 A) &rst ixpk= 4248, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 525, 526, &end # # 0 AMB 20-2:4249 0 AMB 20-1:4249 2.80 (# 4249:20 Double Ambig) &rst ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 91, 92, 93, 95, 96, 97, 515, 516, 517, 508, 509, 510, igr2= 89, 512, 513, 512, 513, &end # # 117 ILE HA 117 ILE QG2 3.50 (# 4250:20 Unique 2.49, 3.39 A) &rst ixpk= 4250, nxpk= 20, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1750,1751,1752, &end # # 0 AMB 20-2:4251 98 ILE QD1 5.50 (# 4251:20 Single Ambig) &rst ixpk= 4251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1638,1603, igr2=1457,1458,1459, &end # # 123 PRO HD- 117 ILE QG2 5.50 (# 4252:20 Unique 5.14, 7.90 A) &rst ixpk= 4252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1849,1850, igr2=1750,1751,1752, &end # # 127 PRO HD- 117 ILE QG2 5.50 (# 4253:20 Unique 6.02, 7.86 A) &rst ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1911,1912, igr2=1750,1751,1752, &end # # 0 AMB 20-2:4254 117 ILE QG2 5.50 (# 4254:20 Single Ambig) &rst ixpk= 4254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1881,1765, igr2=1750,1751,1752, &end # # 122 TYR HB+ 117 ILE QG2 5.50 (# 4255:20 Unique 4.54, 7.02 A) &rst ixpk= 4255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1831,1832, igr2=1750,1751,1752, &end # # 0 AMB 20-2:4256 117 ILE QG2 5.50 (# 4256:20 Single Ambig) &rst ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 205, 206,1831,1832, igr2=1750,1751,1752, &end # # 117 ILE HG1+ 117 ILE QG2 2.80 (# 4257:20 Unique 2.19, 3.11 A) &rst ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1754,1755, igr2=1750,1751,1752, &end # # 117 ILE HB 117 ILE QG2 2.80 (# 4258:20 Unique 2.38, 2.63 A) &rst ixpk= 4258, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2=1750,1751,1752, &end # # 117 ILE HG1- 117 ILE QG2 2.80 (# 4259:20 Unique 2.19, 3.11 A) &rst ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1754,1755, igr2=1750,1751,1752, &end # # 64 THR MG2 76 ILE QD1 2.80 (# 4260:20 Unique 2.42, 3.67 A) &rst ixpk= 4260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 922, 923, 924, igr2=1110,1111,1112, &end # # 0 AMB 20-2:4261 37 ILE QG2 3.50 (# 4261:20 Single Ambig) &rst ixpk= 4261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 86, 87, 51, 672, 733, 575, 576, igr2= 508, 509, 510, &end # # 7 CYS HB+ 38 ASP HA 3.50 (# 4262:20 Unique 2.03, 2.98 A) &rst ixpk= 4262, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 105, 106, &end # # 0 AMB 20-2:4264 0 AMB 20-1:4264 5.50 (# 4264:20 Double Ambig) &rst ixpk= 4264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99, igr1= 492, 493, 494, 496, 497, 498, 91, 92, 93, 95, 96, 97, igr2= 525, 526, 525, 526, &end # # 37 ILE QG2 38 ASP HB+ 4.50 (# 4265:20 Unique 5.02, 5.98 A) &rst ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 508, 509, 510, igr2= 525, 526, &end # # 139 LEU MDX 136 TYR HB- 5.50 (# 4266:20 Unique 4.40, 6.84 A) &rst ixpk= 4266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2=2052,2053, &end # # 8 VAL MGY 39 GLY HA+ 5.50 (# 4267:20 Unique 2.81, 5.83 A) &rst ixpk= 4267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124, igr2= 535, 536, &end # # 8 VAL MGY 39 GLY HA- 5.50 (# 4268:20 Unique 2.81, 5.83 A) &rst ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 118, 119, 120, 122, 123, 124, igr2= 535, 536, &end # # 6 LEU HG 39 GLY HA- 5.50 (# 4269:20 Unique 3.80, 4.98 A) &rst ixpk= 4269, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 535, 536, &end # # 6 LEU HG 39 GLY HA+ 5.50 (# 4270:20 Unique 3.80, 4.98 A) &rst ixpk= 4270, nxpk= 20, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 535, 536, &end # # 33 ASN HB- 0 AMB 20-1:4271 5.50 (# 4271:20 Single Ambig) &rst ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 436, 437, igr2= 427, 428, 427, 428, &end # # 0 AMB 20-2:4272 0 AMB 20-1:4272 5.50 (# 4272:20 Double Ambig) &rst ixpk= 4272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50, igr1=1590,1591, 801, 802,2179,2180, 801, 802, igr2=2192,2193,1581,1582,2192,2193,2192,2193, &end # # 8 VAL MGX 41 SER HA 5.50 (# 4273:20 Unique 3.24, 5.66 A) &rst ixpk= 4273, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 118, 119, 120, 122, 123, 124, &end # # 10 ASN HD2- 41 SER HB- 5.50 (# 4274:20 Unique 2.98, 5.23 A) &rst ixpk= 4274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 144, 145, igr2= 551, 552, &end # # 0 AMB 20-2:4275 42 ALA HA 5.50 (# 4275:20 Single Ambig) &rst ixpk= 4275, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1380,1381,1382,1384,1385,1386, 118, 119, 120, 122, 123, 124,1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:4276 42 ALA HA 4.50 (# 4276:20 Single Ambig) &rst ixpk= 4276, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 549, 578, &end # # 45 ASN HD2- 42 ALA HA 5.50 (# 4277:20 Unique 3.98, 5.35 A) &rst ixpk= 4277, nxpk= 20, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 606, 607, &end # # 59 LEU MDX 109 ILE QG2 5.50 (# 4278:20 Unique 2.42, 5.41 A) &rst ixpk= 4278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 849, 850, 851, 853, 854, 855, igr2=1623,1624,1625, &end # # 124 MET HN 123 PRO HB- 3.50 (# 4280:20 Unique 2.92, 3.49 A) &rst ixpk= 4280, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1855,1856, &end # # 0 AMB 20-2:4281 0 AMB 20-1:4281 3.50 (# 4281:20 Double Ambig) &rst ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 549, 578, igr2= 569, 570, 569, 570, &end # # 0 AMB 20-2:4282 52 GLU HA 5.50 (# 4282:20 Single Ambig) &rst ixpk= 4282, nxpk= 20, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 755, 756, 755, 756, &end # # 51 ARG HN 52 GLU HA 5.50 (# 4283:20 Unique 5.28, 5.32 A) &rst ixpk= 4283, nxpk= 20, iat= 687, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 ASN HN 44 GLU HB+ 5.50 (# 4284:20 Unique 2.80, 3.98 A) &rst ixpk= 4284, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 586, 587, &end # # 45 ASN HN 44 GLU HB- 5.50 (# 4285:20 Unique 2.80, 3.98 A) &rst ixpk= 4285, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 586, 587, &end # # 0 AMB 20-2:4286 0 AMB 20-1:4286 5.50 (# 4286:20 Double Ambig) &rst ixpk= 4286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, igr1=1434,1435,1436,1438,1439,1440,1380,1381,1382,1384, 1385,1386,1380,1381,1382,1384,1385,1386, igr2= 589, 590, 589, 590, 589, 590, &end # # 47 ILE QD1 44 GLU HG+ 5.50 (# 4287:20 Unique 4.14, 5.69 A) &rst ixpk= 4287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 636, 637, 638, igr2= 589, 590, &end # # 0 AMB 20-2:4288 0 AMB 20-1:4288 3.50 (# 4288:20 Double Ambig) &rst ixpk= 4288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2177, 405, igr2=2182,2183,2136,2137, &end # # 45 ASN HD2- 45 ASN HB- 4.50 (# 4289:20 Unique 2.30, 3.44 A) &rst ixpk= 4289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 606, 607, igr2= 601, 602, &end # # 45 ASN HD2- 45 ASN HB+ 4.50 (# 4290:20 Unique 2.30, 3.44 A) &rst ixpk= 4290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 606, 607, igr2= 601, 602, &end # # 42 ALA MB 45 ASN HB+ 5.50 (# 4291:20 Unique 2.63, 4.81 A) &rst ixpk= 4291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 562, 563, 564, igr2= 601, 602, &end # # 46 ASP HN 46 ASP HB+ 3.50 (# 4292:20 Unique 2.22, 2.87 A) &rst ixpk= 4292, nxpk= 20, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 615, 616, &end # # 49 ALA MB 0 AMB 20-1:4293 4.50 (# 4293:20 Single Ambig) &rst ixpk= 4293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 662, 663, 664, igr2= 670, 625, &end # # 46 ASP HB- 0 AMB 20-1:4294 5.50 (# 4294:20 Single Ambig) &rst ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 615, 616, igr2= 625, 670, &end # # 0 AMB 20-2:4295 0 AMB 20-1:4295 5.50 (# 4295:20 Double Ambig) &rst ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 615, 616, 615, 616, igr2= 625, 670, &end # # 51 ARG HA 0 AMB 20-1:4296 5.50 (# 4296:20 Single Ambig) &rst ixpk= 4296, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 670, 625, &end # # 0 AMB 20-2:4297 0 AMB 20-1:4297 4.50 (# 4297:20 Double Ambig) &rst ixpk= 4297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 770, 771, 584, 660, igr2= 670, 625, &end # # 46 ASP HB- 47 ILE HB 5.50 (# 4298:20 Unique 6.09, 6.19 A) &rst ixpk= 4298, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 615, 616, &end # # 0 AMB 20-2:4299 0 AMB 20-1:4299 5.50 (# 4299:20 Double Ambig) &rst ixpk= 4299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1467,1468, 615, 616, igr2=1448, 672, &end # # 44 GLU HA 47 ILE HB 4.50 (# 4300:20 Unique 3.90, 4.12 A) &rst ixpk= 4300, nxpk= 20, iat= 584, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4301 47 ILE HG1- 2.80 (# 4301:20 Single Ambig) &rst ixpk= 4301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 636, 637, 638, 629, 630, 631, igr2= 633, 634, &end # # 0 AMB 20-2:4302 0 AMB 20-1:4302 2.80 (# 4302:20 Double Ambig) &rst ixpk= 4302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 636, 637, 638, 629, 630, 631, igr2= 633, 634, 633, 634, &end # # 97 LEU HG 47 ILE HG1+ 5.50 (# 4303:20 Unique 2.41, 4.37 A) &rst ixpk= 4303, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 633, 634, &end # # 0 AMB 20-2:4304 47 ILE HG1- 5.50 (# 4304:20 Single Ambig) &rst ixpk= 4304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 611, 668, igr2= 633, 634, &end # # 51 ARG HD+ 47 ILE QD1 5.50 (# 4305:20 Unique 5.27, 7.28 A) &rst ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 697, 698, igr2= 636, 637, 638, &end # # 44 GLU HG+ 47 ILE QD1 5.50 (# 4306:20 Unique 4.14, 5.69 A) &rst ixpk= 4306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 589, 590, igr2= 636, 637, 638, &end # # 46 ASP HB- 47 ILE QD1 5.50 (# 4307:20 Unique 6.65, 7.58 A) &rst ixpk= 4307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 615, 616, igr2= 636, 637, 638, &end # # 48 VAL HN 47 ILE QG2 3.50 (# 4308:20 Unique 3.08, 4.05 A) &rst ixpk= 4308, nxpk= 20, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 629, 630, 631, &end # # 102 LYS HA 98 ILE QG2 4.50 (# 4309:20 Unique 3.75, 4.59 A) &rst ixpk= 4309, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1450,1451,1452, &end # # 48 VAL MGX 48 VAL HA 2.80 (# 4310:20 Unique 2.49, 3.18 A) &rst ixpk= 4310, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:4311 0 AMB 20-1:4311 4.50 (# 4311:20 Double Ambig) &rst ixpk= 4311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 932, 599, igr2= 949, 950, 646, &end # # 0 AMB 20-2:4313 0 AMB 20-1:4313 3.50 (# 4313:20 Double Ambig) &rst ixpk= 4313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 799, 37, igr2=1590,1591, 474, &end # # 13 MET HA 13 MET HB+ 4.50 (# 4314:20 Unique 2.48, 2.79 A) &rst ixpk= 4314, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 181, 182, &end # # 45 ASN HA 48 VAL MGY 5.50 (# 4316:20 Unique 4.75, 7.02 A) &rst ixpk= 4316, nxpk= 20, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:4317 48 VAL MGY 4.50 (# 4317:20 Single Ambig) &rst ixpk= 4317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 697, 698, 697, 698, igr2= 648, 649, 650, 652, 653, 654, &end # # 0 AMB 20-2:4318 27 ALA HA 5.50 (# 4318:20 Single Ambig) &rst ixpk= 4318, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 303, 328, &end # # 0 AMB 20-2:4319 27 ALA MB 4.50 (# 4319:20 Single Ambig) &rst ixpk= 4319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 303, 328, 390, 391, igr2= 363, 364, 365, &end # # 28 ALA HN 27 ALA MB 2.80 (# 4320:20 Unique 2.63, 3.58 A) &rst ixpk= 4320, nxpk= 20, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 363, 364, 365, &end # # 53 LEU HN 50 ILE HA 4.50 (# 4321:20 Unique 3.39, 3.58 A) &rst ixpk= 4321, nxpk= 20, iat= 726, 670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 ASN HD2+ 13 MET ME 5.50 (# 4322:20 Unique 3.31, 5.31 A) &rst ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 144, 145, igr2= 188, 189, 190, &end # # 118 VAL HA 13 MET ME 5.50 (# 4323:20 Unique 4.97, 5.73 A) &rst ixpk= 4323, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 188, 189, 190, &end # # 73 ILE QG2 73 ILE HG1- 4.50 (# 4326:20 Unique 2.24, 3.22 A) &rst ixpk= 4326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1041,1042,1043, igr2=1045,1046, &end # # 113 ILE HA 73 ILE HG1- 5.50 (# 4327:20 Unique 3.48, 4.25 A) &rst ixpk= 4327, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1045,1046, &end # # 73 ILE HA 73 ILE HG1- 5.50 (# 4328:20 Unique 2.46, 2.96 A) &rst ixpk= 4328, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1045,1046, &end # # 73 ILE HN 73 ILE HG1- 5.50 (# 4329:20 Unique 2.79, 3.45 A) &rst ixpk= 4329, nxpk= 20, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1045,1046, &end # # 0 AMB 20-2:4330 73 ILE HG1- 5.50 (# 4330:20 Single Ambig) &rst ixpk= 4330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1054,1701, igr2=1045,1046, &end # # 73 ILE HA 73 ILE HG1+ 4.50 (# 4331:20 Unique 2.46, 2.96 A) &rst ixpk= 4331, nxpk= 20, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1045,1046, &end # # 0 AMB 20-2:4332 0 AMB 20-1:4332 4.50 (# 4332:20 Double Ambig) &rst ixpk= 4332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 726,2233,2241, igr2= 773, 774,1045,1046, 749, 750, &end # # 85 PHE HD 94 LEU MDY 4.50 (# 4333:20 Unique 2.24, 6.08 A) &rst ixpk= 4333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1235,1243, igr2=1380,1381,1382,1384,1385,1386, &end # # 95 ASN HD2- 95 ASN HB- 4.50 (# 4334:20 Unique 2.60, 3.62 A) &rst ixpk= 4334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1399,1400, igr2=1394,1395, &end # # 81 ILE QG2 95 ASN HB- 4.50 (# 4335:20 Unique 2.24, 3.85 A) &rst ixpk= 4335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1172,1173,1174, igr2=1394,1395, &end # # 78 PRO HB- 95 ASN HB- 5.50 (# 4336:20 Unique 2.27, 3.79 A) &rst ixpk= 4336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1135,1136, igr2=1394,1395, &end # # 0 AMB 20-2:4337 0 AMB 20-1:4337 4.50 (# 4337:20 Double Ambig) &rst ixpk= 4337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08, igr1=1024,1025,1024,1025,1708,1709,1708,1709, igr2= 989, 990, 989, 990, 989, 990, &end # # 78 PRO HB- 95 ASN HB+ 5.50 (# 4338:20 Unique 2.27, 3.79 A) &rst ixpk= 4338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1135,1136, igr2=1394,1395, &end # # 119 GLY HN 122 TYR HB+ 5.50 (# 4339:20 Unique 2.94, 3.90 A) &rst ixpk= 4339, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1831,1832, &end # # 151 LEU HA 74 ARG HB+ 5.50 (# 4341:20 Unique 2.90, 3.80 A) &rst ixpk= 4341, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1058,1059, &end # # 0 AMB 20-2:4342 0 AMB 20-1:4342 2.80 (# 4342:20 Double Ambig) &rst ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 830, 831, 832, 834, 835, 836, 674, 675, 676,1380, 1381,1382,1384,1385,1386, igr2= 51, 116, &end # # 94 LEU HN 0 AMB 20-1:4343 5.50 (# 4343:20 Single Ambig) &rst ixpk= 4343, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1408,1409,1408,1409, &end # # 96 TYR HN 95 ASN HA 5.50 (# 4344:20 Unique 3.46, 3.50 A) &rst ixpk= 4344, nxpk= 20, iat=1404,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 ILE HN 97 LEU HA 4.50 (# 4345:20 Unique 3.55, 3.60 A) &rst ixpk= 4345, nxpk= 20, iat=1444,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 TYR HD 97 LEU HA 5.50 (# 4346:20 Unique 3.57, 4.83 A) &rst ixpk= 4346, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1412,1421, &end # # 0 AMB 20-2:4347 97 LEU HA 3.50 (# 4347:20 Single Ambig) &rst ixpk= 4347, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1482,1483,1479,1480,1479,1480, &end # # 97 LEU HG 97 LEU HA 3.50 (# 4348:20 Unique 2.48, 3.31 A) &rst ixpk= 4348, nxpk= 20, iat=1432,1427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 139 LEU MDY 142 TRP HB- 5.50 (# 4349:20 Unique 3.06, 5.40 A) &rst ixpk= 4349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2=2155,2156, &end # # 0 AMB 20-2:4350 0 AMB 20-1:4350 5.50 (# 4350:20 Double Ambig) &rst ixpk= 4350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2175,1154, igr2=2177,1156, &end # # 144 GLY HN 143 GLU HA 5.50 (# 4351:20 Unique 2.18, 2.42 A) &rst ixpk= 4351, nxpk= 20, iat=2190,2177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4352 0 AMB 20-1:4352 5.50 (# 4352:20 Double Ambig) &rst ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2179,2180,2114,2115, igr2=2177, 405, &end # # 57 ARG HE 57 ARG HB+ 4.50 (# 4353:20 Unique 1.85, 2.57 A) &rst ixpk= 4353, nxpk= 20, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 801, 802, &end # # 125 THR HA 126 GLN HA 4.50 (# 4354:20 Unique 4.17, 4.31 A) &rst ixpk= 4354, nxpk= 20, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4355 126 GLN HA 4.50 (# 4355:20 Single Ambig) &rst ixpk= 4355, nxpk= 20, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1950,1951,1950,1951, &end # # 0 AMB 20-2:4356 50 ILE HG1- 4.50 (# 4356:20 Single Ambig) &rst ixpk= 4356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 670, 625, igr2= 678, 679, &end # # 51 ARG HN 0 AMB 20-1:4357 2.80 (# 4357:20 Single Ambig) &rst ixpk= 4357, nxpk= 20, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr2= 691, 692, 691, 692, &end # # 0 AMB 20-2:4358 0 AMB 20-1:4358 5.50 (# 4358:20 Double Ambig) &rst ixpk= 4358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 770, 771, 713, igr2= 694, 695, 694, 695, &end # # 48 VAL MGY 51 ARG HD- 5.50 (# 4359:20 Unique 3.48, 5.71 A) &rst ixpk= 4359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 648, 649, 650, 652, 653, 654, igr2= 697, 698, &end # # 104 ASP HN 102 LYS HA 5.50 (# 4360:20 Unique 3.68, 3.89 A) &rst ixpk= 4360, nxpk= 20, iat=1548,1513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 ARG HN 53 LEU HB- 5.50 (# 4361:20 Unique 2.80, 3.66 A) &rst ixpk= 4361, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 730, 731, &end # # 54 ARG HN 53 LEU HG 5.50 (# 4362:20 Unique 4.41, 4.67 A) &rst ixpk= 4362, nxpk= 20, iat= 745, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 VAL HA 53 LEU MDX 5.50 (# 4364:20 Unique 4.21, 6.58 A) &rst ixpk= 4364, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 735, 736, 737, 739, 740, 741, &end # # 53 LEU HB+ 53 LEU MDX 2.80 (# 4365:20 Unique 2.25, 3.39 A) &rst ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 730, 731, igr2= 735, 736, 737, 739, 740, 741, &end # # 105 ILE QD1 54 ARG HA 5.50 (# 4368:20 Unique 4.62, 6.29 A) &rst ixpk= 4368, nxpk= 20, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1573,1574,1575, &end # # 53 LEU HN 54 ARG HA 5.50 (# 4370:20 Unique 4.34, 4.42 A) &rst ixpk= 4370, nxpk= 20, iat= 726, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 79 ASP HN 78 PRO HG- 5.50 (# 4371:20 Unique 2.94, 4.12 A) &rst ixpk= 4371, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1132,1133, &end # # 54 ARG HA 0 AMB 20-1:4372 3.50 (# 4372:20 Single Ambig) &rst ixpk= 4372, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 752, 753, 752, 753, &end # # 128 ILE QD1 116 ASP HB+ 4.50 (# 4374:20 Unique 2.50, 4.22 A) &rst ixpk= 4374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939, igr2=1736,1737, &end # # 0 AMB 20-2:4375 0 AMB 20-1:4375 5.50 (# 4375:20 Double Ambig) &rst ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1883,1728, igr2=1736,1737,1736,1737, &end # # 125 THR HB 116 ASP HB+ 5.50 (# 4376:20 Unique 3.20, 5.24 A) &rst ixpk= 4376, nxpk= 20, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1736,1737, &end # # 2 THR HB 55 PRO HA 3.50 (# 4377:20 Unique 1.99, 2.11 A) &rst ixpk= 4377, nxpk= 20, iat= 25, 779, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 ARG HN 55 PRO HB- 5.50 (# 4379:20 Unique 2.84, 3.12 A) &rst ixpk= 4379, nxpk= 20, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 776, 777, &end # # 56 THR HN 55 PRO HB+ 5.50 (# 4380:20 Unique 2.96, 3.40 A) &rst ixpk= 4380, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 776, 777, &end # # 0 AMB 20-2:4381 20 PRO HG- 4.50 (# 4381:20 Single Ambig) &rst ixpk= 4381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 227, 228, 227, 228, igr2= 253, 254, &end # # 106 GLY HA+ 56 THR HA 4.50 (# 4382:20 Unique 3.86, 4.71 A) &rst ixpk= 4382, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1581,1582, &end # # 0 AMB 20-2:4383 56 THR HA 3.50 (# 4383:20 Single Ambig) &rst ixpk= 4383, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 787,1562, &end # # 0 AMB 20-2:4384 56 THR HA 5.50 (# 4384:20 Single Ambig) &rst ixpk= 4384, nxpk= 20, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1586,1560, &end # # 58 LEU HA 0 AMB 20-1:4387 5.50 (# 4387:20 Single Ambig) &rst ixpk= 4387, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 804, 805, 804, 805, &end # # 0 AMB 20-2:4389 58 LEU HA 5.50 (# 4389:20 Single Ambig) &rst ixpk= 4389, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 773, 774, 67, 68,1496,1497, &end # # 149 ALA HN 75 ILE HG1+ 5.50 (# 4390:20 Unique 3.38, 4.50 A) &rst ixpk= 4390, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1088,1089, &end # # 0 AMB 20-2:4391 58 LEU MDX 2.80 (# 4391:20 Single Ambig) &rst ixpk= 4391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 825, 826, 51, igr2= 830, 831, 832, 834, 835, 836, &end # # 58 LEU HA 58 LEU MDX 5.50 (# 4392:20 Unique 2.36, 4.03 A) &rst ixpk= 4392, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 830, 831, 832, 834, 835, 836, &end # # 110 PHE HD 76 ILE HG1- 5.50 (# 4393:20 Unique 3.03, 6.04 A) &rst ixpk= 4393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1644,1652, igr2=1107,1108, &end # # 150 GLN HE2+ 76 ILE HG1- 5.50 (# 4394:20 Unique 4.00, 5.07 A) &rst ixpk= 4394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2267,2268, igr2=1107,1108, &end # # 0 AMB 20-2:4395 0 AMB 20-1:4395 5.50 (# 4395:20 Double Ambig) &rst ixpk= 4395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 878,1511, igr2= 869, 870, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:4396 0 AMB 20-1:4396 5.50 (# 4396:20 Double Ambig) &rst ixpk= 4396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1097, 47, igr2=1107,1108, 830, 831, 832, 834, 835, 836, &end # # 61 VAL HN 58 LEU MDY 5.50 (# 4397:20 Unique 5.99, 7.79 A) &rst ixpk= 4397, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:4400 58 LEU MDY 5.50 (# 4400:20 Single Ambig) &rst ixpk= 4400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 670, 770, 771, 625, igr2= 830, 831, 832, 834, 835, 836, &end # # 60 ILE HA 58 LEU MDY 4.50 (# 4403:20 Unique 3.75, 5.60 A) &rst ixpk= 4403, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 830, 831, 832, 834, 835, 836, &end # # 120 PHE HB- 13 MET HA 4.50 (# 4404:20 Unique 3.91, 4.77 A) &rst ixpk= 4404, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1790,1791, &end # # 148 PHE HB+ 74 ARG HA 5.50 (# 4405:20 Unique 3.13, 4.20 A) &rst ixpk= 4405, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2229,2230, &end # # 0 AMB 20-2:4406 0 AMB 20-1:4406 5.50 (# 4406:20 Double Ambig) &rst ixpk= 4406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2161, 82, igr2= 844, 845, 844, 845, &end # # 109 ILE HB 59 LEU HB+ 5.50 (# 4407:20 Unique 2.82, 4.01 A) &rst ixpk= 4407, nxpk= 20, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 844, 845, &end # # 0 AMB 20-2:4408 0 AMB 20-1:4408 5.50 (# 4408:20 Double Ambig) &rst ixpk= 4408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 804, 805, 804, 805,1627,1628, igr2= 844, 845, 844, 845, 844, 845, &end # # 0 AMB 20-2:4409 59 LEU HB- 5.50 (# 4409:20 Single Ambig) &rst ixpk= 4409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 804, 805, 804, 805,1627,1628, igr2= 844, 845, &end # # 58 LEU MDY 59 LEU HB+ 4.50 (# 4410:20 Unique 4.44, 6.80 A) &rst ixpk= 4410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 830, 831, 832, 834, 835, 836, igr2= 844, 845, &end # # 58 LEU MDY 59 LEU HB- 5.50 (# 4411:20 Unique 4.44, 6.80 A) &rst ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 830, 831, 832, 834, 835, 836, igr2= 844, 845, &end # # 61 VAL HN 59 LEU MDY 5.50 (# 4413:20 Unique 4.56, 6.74 A) &rst ixpk= 4413, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:4414 59 LEU MDY 5.50 (# 4414:20 Single Ambig) &rst ixpk= 4414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2168,2170, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:4415 59 LEU MDY 4.50 (# 4415:20 Single Ambig) &rst ixpk= 4415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1638, 861,2199, igr2= 849, 850, 851, 853, 854, 855, &end # # 109 ILE HA 59 LEU MDY 5.50 (# 4416:20 Unique 4.71, 7.04 A) &rst ixpk= 4416, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 849, 850, 851, 853, 854, 855, &end # # 146 GLY HA+ 59 LEU MDY 5.50 (# 4417:20 Unique 4.55, 7.37 A) &rst ixpk= 4417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2213,2214, igr2= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:4418 59 LEU MDY 4.50 (# 4418:20 Single Ambig) &rst ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1=2038,2039,2040,2042,2043,2044, 291, 292, 293, 295, 296, 297, igr2= 849, 850, 851, 853, 854, 855, &end # # 82 ALA HN 81 ILE HG1+ 5.50 (# 4419:20 Unique 4.22, 4.66 A) &rst ixpk= 4419, nxpk= 20, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1176,1177, &end # # 78 PRO HA 81 ILE HG1+ 4.50 (# 4420:20 Unique 2.48, 3.62 A) &rst ixpk= 4420, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1176,1177, &end # # 0 AMB 20-2:4422 60 ILE QD1 5.50 (# 4422:20 Single Ambig) &rst ixpk= 4422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1617,1636, igr2= 872, 873, 874, &end # # 113 ILE HN 76 ILE QD1 5.50 (# 4424:20 Unique 4.92, 5.83 A) &rst ixpk= 4424, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1110,1111,1112, &end # # 66 MET HG- 76 ILE QD1 3.50 (# 4425:20 Unique 3.43, 4.63 A) &rst ixpk= 4425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 949, 950, igr2=1110,1111,1112, &end # # 0 AMB 20-2:4426 105 ILE QD1 2.80 (# 4426:20 Single Ambig) &rst ixpk= 4426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr1= 773, 774, 51, igr2=1573,1574,1575, &end # # 131 ALA HN 113 ILE QG2 5.50 (# 4428:20 Unique 4.70, 5.31 A) &rst ixpk= 4428, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1688,1689,1690, &end # # 0 AMB 20-2:4429 0 AMB 20-1:4429 4.50 (# 4429:20 Double Ambig) &rst ixpk= 4429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1987, 112,1035, igr2=1688,1689,1690, 865, 866, 867, &end # # 22 LEU MDY 61 VAL HB 5.50 (# 4430:20 Unique 2.17, 4.19 A) &rst ixpk= 4430, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 291, 292, 293, 295, 296, 297, &end # # 0 AMB 20-2:4431 61 VAL MGY 5.50 (# 4431:20 Single Ambig) &rst ixpk= 4431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 286, 287, 898, 899, igr2= 884, 885, 886, 888, 889, 890, &end # # 5 LEU HA 61 VAL MGY 5.50 (# 4434:20 Unique 4.91, 7.51 A) &rst ixpk= 4434, nxpk= 20, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 6 LEU HN 61 VAL MGY 5.50 (# 4435:20 Unique 4.31, 6.93 A) &rst ixpk= 4435, nxpk= 20, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 135 VAL HB 61 VAL MGY 5.50 (# 4437:20 Unique 3.67, 5.14 A) &rst ixpk= 4437, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 59 LEU MDX 61 VAL MGX 5.50 (# 4438:20 Unique 2.38, 5.96 A) &rst ixpk= 4438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1= 849, 850, 851, 853, 854, 855, igr2= 884, 885, 886, 888, 889, 890, &end # # 139 LEU MDY 61 VAL MGX 5.50 (# 4439:20 Unique 3.64, 7.39 A) &rst ixpk= 4439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=2119,2120,2121,2123,2124,2125, igr2= 884, 885, 886, 888, 889, 890, &end # # 73 ILE QG2 61 VAL MGX 5.50 (# 4440:20 Unique 4.91, 6.88 A) &rst ixpk= 4440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1041,1042,1043, igr2= 884, 885, 886, 888, 889, 890, &end # # 135 VAL HB 61 VAL MGX 5.50 (# 4441:20 Unique 3.67, 5.14 A) &rst ixpk= 4441, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 0 AMB 20-2:4442 61 VAL MGX 5.50 (# 4442:20 Single Ambig) &rst ixpk= 4442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1677,1678, 908, igr2= 884, 885, 886, 888, 889, 890, &end # # 111 LEU HN 61 VAL MGX 5.50 (# 4443:20 Unique 3.38, 4.99 A) &rst ixpk= 4443, nxpk= 20, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 884, 885, 886, 888, 889, 890, &end # # 22 LEU HG 61 VAL MGX 4.50 (# 4445:20 Unique 4.49, 5.39 A) &rst ixpk= 4445, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2= 884, 885, 886, 888, 889, 890, &end # # 62 ASP HA 62 ASP HB+ 4.50 (# 4446:20 Unique 2.50, 2.78 A) &rst ixpk= 4446, nxpk= 20, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 898, 899, &end # # 60 ILE QG2 62 ASP HB- 5.50 (# 4447:20 Unique 3.89, 5.54 A) &rst ixpk= 4447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 865, 866, 867, igr2= 898, 899, &end # # 128 ILE QD1 116 ASP HB- 4.50 (# 4448:20 Unique 2.50, 4.22 A) &rst ixpk= 4448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1937,1938,1939, igr2=1736,1737, &end # # 113 ILE QG2 63 ALA HA 4.50 (# 4449:20 Unique 3.81, 4.54 A) &rst ixpk= 4449, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1688,1689,1690, &end # # 0 AMB 20-2:4450 63 ALA HA 5.50 (# 4450:20 Single Ambig) &rst ixpk= 4450, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1=1722,1723,1725,1726, 953, 954, 955,1873,1874,1875, &end # # 0 AMB 20-2:4451 63 ALA HA 5.50 (# 4451:20 Single Ambig) &rst ixpk= 4451, nxpk= 20, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1719,1720, 920, &end # # 63 ALA HN 63 ALA HA 5.50 (# 4452:20 Unique 2.91, 2.93 A) &rst ixpk= 4452, nxpk= 20, iat= 906, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4453 64 THR HA 5.50 (# 4453:20 Single Ambig) &rst ixpk= 4453, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 934, 935,1330,1331, &end # # 65 ASP HB- 64 THR HA 4.50 (# 4454:20 Unique 4.56, 4.66 A) &rst ixpk= 4454, nxpk= 20, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 934, 935, &end # # 76 ILE QG2 76 ILE HA 2.80 (# 4455:20 Unique 2.34, 2.87 A) &rst ixpk= 4455, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1103,1104,1105, &end # # 113 ILE HN 64 THR MG2 5.50 (# 4456:20 Unique 5.77, 5.92 A) &rst ixpk= 4456, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 922, 923, 924, &end # # 65 ASP HN 64 THR MG2 3.50 (# 4457:20 Unique 2.42, 3.28 A) &rst ixpk= 4457, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 922, 923, 924, &end # # 0 AMB 20-2:4458 64 THR MG2 5.50 (# 4458:20 Single Ambig) &rst ixpk= 4458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 942,1675, igr2= 922, 923, 924, &end # # 114 GLN HE2- 65 ASP HA 3.50 (# 4459:20 Unique 2.12, 2.63 A) &rst ixpk= 4459, nxpk= 20, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1713,1714, &end # # 0 AMB 20-2:4460 0 AMB 20-1:4460 5.50 (# 4460:20 Double Ambig) &rst ixpk= 4460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1719,1720,1477, igr2= 934, 935,1467,1468, &end # # 115 PRO HD+ 65 ASP HB+ 5.50 (# 4461:20 Unique 3.66, 4.77 A) &rst ixpk= 4461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1719,1720, igr2= 934, 935, &end # # 0 AMB 20-2:4462 0 AMB 20-1:4462 5.50 (# 4462:20 Double Ambig) &rst ixpk= 4462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1719,1720, 920, igr2= 934, 935, 934, 935, &end # # 142 TRP HN 138 ARG HA 5.50 (# 4463:20 Unique 4.00, 4.83 A) &rst ixpk= 4463, nxpk= 20, iat=2151,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 138 ARG HE 138 ARG HA 5.50 (# 4464:20 Unique 3.26, 4.08 A) &rst ixpk= 4464, nxpk= 20, iat=2099,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 151 LEU MDY 66 MET HB- 4.50 (# 4465:20 Unique 2.20, 4.39 A) &rst ixpk= 4465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2281,2282,2283,2285,2286,2287, igr2= 946, 947, &end # # 0 AMB 20-2:4466 0 AMB 20-1:4466 5.50 (# 4466:20 Double Ambig) &rst ixpk= 4466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 932,1684, igr2= 949, 950, 949, 950, &end # # 0 AMB 20-2:4468 68 LEU HB- 5.50 (# 4468:20 Single Ambig) &rst ixpk= 4468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 989, 990, 989, 990, igr2= 970, 971, &end # # 0 AMB 20-2:4469 0 AMB 20-1:4469 5.50 (# 4469:20 Double Ambig) &rst ixpk= 4469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 989, 990, 989, 990, igr2= 970, 971, 970, 971, &end # # 0 AMB 20-2:4470 68 LEU HB- 5.50 (# 4470:20 Single Ambig) &rst ixpk= 4470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2324,2325,2324,2325, igr2= 970, 971, &end # # 0 AMB 20-2:4471 0 AMB 20-1:4471 5.50 (# 4471:20 Double Ambig) &rst ixpk= 4471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2324,2325,2324,2325, igr2= 970, 971, 970, 971, &end # # 68 LEU HA 68 LEU HG 4.50 (# 4472:20 Unique 2.95, 3.09 A) &rst ixpk= 4472, nxpk= 20, iat= 968, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 LEU HN 68 LEU HG 4.50 (# 4473:20 Unique 2.43, 2.51 A) &rst ixpk= 4473, nxpk= 20, iat= 966, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 ARG HD- 68 LEU MDX 5.50 (# 4474:20 Unique 3.95, 6.10 A) &rst ixpk= 4474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1064,1065, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:4475 68 LEU MDX 2.80 (# 4475:20 Single Ambig) &rst ixpk= 4475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 973,1061,1062, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:4476 68 LEU MDX 5.50 (# 4476:20 Single Ambig) &rst ixpk= 4476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2274,1022, igr2= 975, 976, 977, 979, 980, 981, &end # # 68 LEU HN 68 LEU MDX 5.50 (# 4477:20 Unique 3.60, 4.50 A) &rst ixpk= 4477, nxpk= 20, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 72 GLU HN 68 LEU MDX 5.50 (# 4478:20 Unique 5.26, 7.32 A) &rst ixpk= 4478, nxpk= 20, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 74 ARG HE 68 LEU MDX 5.50 (# 4479:20 Unique 2.41, 4.45 A) &rst ixpk= 4479, nxpk= 20, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:4480 68 LEU MDX 5.50 (# 4480:20 Single Ambig) &rst ixpk= 4480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2291, 959, igr2= 975, 976, 977, 979, 980, 981, &end # # 69 ASN HN 68 LEU MDX 5.50 (# 4481:20 Unique 4.05, 4.98 A) &rst ixpk= 4481, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:4482 151 LEU MDX 5.50 (# 4482:20 Single Ambig) &rst ixpk= 4482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2272,1054, igr2=2281,2282,2283,2285,2286,2287, &end # # 114 GLN HN 68 LEU MDX 5.50 (# 4483:20 Unique 4.62, 7.27 A) &rst ixpk= 4483, nxpk= 20, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 0 AMB 20-2:4484 0 AMB 20-1:4484 5.50 (# 4484:20 Double Ambig) &rst ixpk= 4484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1617,1636, igr2= 830, 831, 832, 834, 835, 836,1107,1108, &end # # 139 LEU HN 22 LEU MDX 5.50 (# 4486:20 Unique 5.43, 7.07 A) &rst ixpk= 4486, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 291, 292, 293, 295, 296, 297, &end # # 74 ARG HA 68 LEU MDX 5.50 (# 4488:20 Unique 6.06, 7.73 A) &rst ixpk= 4488, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 975, 976, 977, 979, 980, 981, &end # # 114 GLN HG- 70 PRO HA 2.80 (# 4489:20 Unique 2.29, 2.71 A) &rst ixpk= 4489, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1708,1709, &end # # 70 PRO HD+ 70 PRO HA 3.50 (# 4490:20 Unique 3.23, 3.67 A) &rst ixpk= 4490, nxpk= 20, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1000,1001, &end # # 0 AMB 20-2:4492 0 AMB 20-1:4492 4.50 (# 4492:20 Double Ambig) &rst ixpk= 4492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1524,1525,1524,1525, igr2=1515,1516,1515,1516, &end # # 116 ASP HB+ 70 PRO HB+ 4.50 (# 4493:20 Unique 2.11, 3.34 A) &rst ixpk= 4493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1736,1737, igr2=1006,1007, &end # # 69 ASN HN 70 PRO HD+ 5.50 (# 4495:20 Unique 4.57, 4.84 A) &rst ixpk= 4495, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1000,1001, &end # # 0 AMB 20-2:4496 0 AMB 20-1:4496 5.50 (# 4496:20 Double Ambig) &rst ixpk= 4496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=1914,1915,1928,1708,1709, igr2=1015,1016,1015,1016,1015,1016, &end # # 0 AMB 20-2:4497 71 GLY HA- 5.50 (# 4497:20 Single Ambig) &rst ixpk= 4497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1=1705,1706,1705,1706,1928, igr2=1015,1016, &end # # 0 AMB 20-2:4498 71 GLY HA- 5.50 (# 4498:20 Single Ambig) &rst ixpk= 4498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1920,1684, igr2=1015,1016, &end # # 128 ILE HN 71 GLY HA+ 5.50 (# 4499:20 Unique 4.13, 4.44 A) &rst ixpk= 4499, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1015,1016, &end # # 128 ILE HN 71 GLY HA- 5.50 (# 4500:20 Unique 4.13, 4.44 A) &rst ixpk= 4500, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1015,1016, &end # # 73 ILE HA 72 GLU HA 5.50 (# 4501:20 Unique 4.42, 4.46 A) &rst ixpk= 4501, nxpk= 20, iat=1037,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 LEU HA 0 AMB 20-1:4503 5.50 (# 4503:20 Single Ambig) &rst ixpk= 4503, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 989, 990, 989, 990, &end # # 68 LEU HB- 72 GLU HG+ 4.50 (# 4504:20 Unique 2.25, 3.31 A) &rst ixpk= 4504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 970, 971, igr2=1027,1028, &end # # 0 AMB 20-2:4505 0 AMB 20-1:4505 5.50 (# 4505:20 Double Ambig) &rst ixpk= 4505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 968,1703, igr2=1027,1028,1027,1028, &end # # 0 AMB 20-2:4506 72 GLU HG- 5.50 (# 4506:20 Single Ambig) &rst ixpk= 4506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 968,1703, igr2=1027,1028, &end # # 62 ASP HB+ 62 ASP HA 4.50 (# 4509:20 Unique 2.50, 2.78 A) &rst ixpk= 4509, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 898, 899, &end # # 72 GLU HA 73 ILE QG2 5.50 (# 4510:20 Unique 6.30, 6.55 A) &rst ixpk= 4510, nxpk= 20, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 135 VAL HB 73 ILE QG2 5.50 (# 4511:20 Unique 2.65, 4.94 A) &rst ixpk= 4511, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1041,1042,1043, &end # # 148 PHE HB- 73 ILE QG2 5.50 (# 4512:20 Unique 2.72, 4.56 A) &rst ixpk= 4512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2229,2230, igr2=1041,1042,1043, &end # # 151 LEU HB- 74 ARG HB+ 4.50 (# 4513:20 Unique 2.10, 3.20 A) &rst ixpk= 4513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2276,2277, igr2=1058,1059, &end # # 74 ARG HG+ 74 ARG HB+ 4.50 (# 4514:20 Unique 2.31, 2.60 A) &rst ixpk= 4514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1061,1062, igr2=1058,1059, &end # # 151 LEU MDY 74 ARG HB- 4.50 (# 4515:20 Unique 3.41, 4.83 A) &rst ixpk= 4515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2281,2282,2283,2285,2286,2287, igr2=1058,1059, &end # # 129 LYS HN 129 LYS HG- 5.50 (# 4516:20 Unique 2.31, 3.25 A) &rst ixpk= 4516, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1950,1951, &end # # 75 ILE HN 74 ARG HD+ 5.50 (# 4520:20 Unique 3.68, 3.85 A) &rst ixpk= 4520, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1064,1065, &end # # 150 GLN HE2+ 75 ILE HB 5.50 (# 4521:20 Unique 3.20, 4.30 A) &rst ixpk= 4521, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2267,2268, &end # # 74 ARG HA 75 ILE HB 5.50 (# 4522:20 Unique 4.37, 4.47 A) &rst ixpk= 4522, nxpk= 20, iat=1056,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 150 GLN HB+ 75 ILE HB 3.50 (# 4524:20 Unique 3.37, 3.97 A) &rst ixpk= 4524, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2259,2260, &end # # 145 ASN HB+ 75 ILE HB 5.50 (# 4525:20 Unique 4.39, 5.69 A) &rst ixpk= 4525, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2201,2202, &end # # 0 AMB 20-2:4526 75 ILE HG1- 3.50 (# 4526:20 Single Ambig) &rst ixpk= 4526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2201,2202,2229,2230, igr2=1088,1089, &end # # 0 AMB 20-2:4527 75 ILE QD1 5.50 (# 4527:20 Single Ambig) &rst ixpk= 4527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1056, 842, igr2=1091,1092,1093, &end # # 0 AMB 20-2:4528 76 ILE HA 5.50 (# 4528:20 Single Ambig) &rst ixpk= 4528, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2262,2263,1217,1218, &end # # 110 PHE HD 76 ILE HG1+ 5.50 (# 4529:20 Unique 3.03, 6.04 A) &rst ixpk= 4529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1644,1652, igr2=1107,1108, &end # # 135 VAL HB 73 ILE QD1 4.50 (# 4531:20 Unique 4.95, 6.19 A) &rst ixpk= 4531, nxpk= 20, iat=2036, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1048,1049,1050, &end # # 80 ASP HN 76 ILE QG2 5.50 (# 4532:20 Unique 3.67, 4.71 A) &rst ixpk= 4532, nxpk= 20, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1103,1104,1105, &end # # 85 PHE HD 76 ILE QG2 4.50 (# 4533:20 Unique 3.23, 6.94 A) &rst ixpk= 4533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1235,1243, igr2=1103,1104,1105, &end # # 81 ILE HN 76 ILE QG2 4.50 (# 4534:20 Unique 2.64, 3.70 A) &rst ixpk= 4534, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1103,1104,1105, &end # # 84 MET HG+ 76 ILE QG2 4.50 (# 4535:20 Unique 2.86, 4.32 A) &rst ixpk= 4535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1217,1218, igr2=1103,1104,1105, &end # # 84 MET HB+ 76 ILE QG2 2.80 (# 4536:20 Unique 2.49, 4.12 A) &rst ixpk= 4536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1214,1215, igr2=1103,1104,1105, &end # # 58 LEU HB+ 105 ILE QG2 2.80 (# 4537:20 Unique 2.25, 3.57 A) &rst ixpk= 4537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 825, 826, igr2=1566,1567,1568, &end # # 150 GLN HE2- 77 ASP HB+ 5.50 (# 4538:20 Unique 2.63, 4.26 A) &rst ixpk= 4538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2267,2268, igr2=1120,1121, &end # # 81 ILE HN 77 ASP HB+ 5.50 (# 4539:20 Unique 4.61, 5.36 A) &rst ixpk= 4539, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1120,1121, &end # # 78 PRO HD+ 77 ASP HB+ 5.50 (# 4540:20 Unique 3.70, 4.44 A) &rst ixpk= 4540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1129,1130, igr2=1120,1121, &end # # 76 ILE QG2 77 ASP HB+ 5.50 (# 4541:20 Unique 4.23, 5.69 A) &rst ixpk= 4541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1103,1104,1105, igr2=1120,1121, &end # # 0 AMB 20-2:4543 78 PRO HA 5.50 (# 4543:20 Single Ambig) &rst ixpk= 4543, nxpk= 20, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1158,1159,1146,1147, &end # # 0 AMB 20-2:4544 0 AMB 20-1:4544 5.50 (# 4544:20 Double Ambig) &rst ixpk= 4544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1806, 35, igr2= 164, 165, 474, &end # # 0 AMB 20-2:4545 0 AMB 20-1:4545 5.50 (# 4545:20 Double Ambig) &rst ixpk= 4545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 35, 21, igr2= 776, 777, 776, 777, &end # # 0 AMB 20-2:4546 0 AMB 20-1:4546 5.50 (# 4546:20 Double Ambig) &rst ixpk= 4546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1013,1636, igr2=1003,1004,1132,1133, &end # # 78 PRO HG- 78 PRO HD+ 3.50 (# 4547:20 Unique 2.27, 2.61 A) &rst ixpk= 4547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1132,1133, igr2=1129,1130, &end # # 77 ASP HN 78 PRO HD+ 5.50 (# 4548:20 Unique 4.65, 5.01 A) &rst ixpk= 4548, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1129,1130, &end # # 77 ASP HB+ 78 PRO HD- 5.50 (# 4549:20 Unique 3.70, 4.44 A) &rst ixpk= 4549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1120,1121, igr2=1129,1130, &end # # 0 AMB 20-2:4550 78 PRO HD- 5.50 (# 4550:20 Single Ambig) &rst ixpk= 4550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1120,1121,1394,1395,1146,1147, igr2=1129,1130, &end # # 76 ILE QG2 78 PRO HD- 5.50 (# 4551:20 Unique 5.49, 7.13 A) &rst ixpk= 4551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1103,1104,1105, igr2=1129,1130, &end # # 0 AMB 20-2:4552 78 PRO HD- 5.50 (# 4552:20 Single Ambig) &rst ixpk= 4552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613,1454,1455, igr2=1129,1130, &end # # 78 PRO HB- 79 ASP HA 5.50 (# 4553:20 Unique 4.16, 4.81 A) &rst ixpk= 4553, nxpk= 20, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1135,1136, &end # # 0 AMB 20-2:4555 81 ILE HA 5.50 (# 4555:20 Single Ambig) &rst ixpk= 4555, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1158,1159,1394,1395, &end # # 84 MET HG+ 81 ILE HA 5.50 (# 4556:20 Unique 4.06, 4.40 A) &rst ixpk= 4556, nxpk= 20, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1217,1218, &end # # 84 MET HB- 81 ILE HG1- 4.50 (# 4557:20 Unique 4.15, 5.60 A) &rst ixpk= 4557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1214,1215, igr2=1176,1177, &end # # 81 ILE HB 81 ILE HG1- 3.50 (# 4558:20 Unique 2.42, 2.75 A) &rst ixpk= 4558, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1176,1177, &end # # 81 ILE HB 81 ILE HG1+ 3.50 (# 4559:20 Unique 2.42, 2.75 A) &rst ixpk= 4559, nxpk= 20, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1176,1177, &end # # 76 ILE HA 81 ILE QD1 5.50 (# 4560:20 Unique 4.71, 5.91 A) &rst ixpk= 4560, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1179,1180,1181, &end # # 78 PRO HB- 81 ILE QD1 5.50 (# 4563:20 Unique 2.81, 4.97 A) &rst ixpk= 4563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1135,1136, igr2=1179,1180,1181, &end # # 0 AMB 20-2:4564 81 ILE QD1 2.80 (# 4564:20 Single Ambig) &rst ixpk= 4564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1176,1177,1450,1451,1452, igr2=1179,1180,1181, &end # # 104 ASP HN 105 ILE QG2 5.50 (# 4565:20 Unique 5.94, 6.45 A) &rst ixpk= 4565, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1566,1567,1568, &end # # 85 PHE HB+ 81 ILE QG2 5.50 (# 4566:20 Unique 2.69, 4.24 A) &rst ixpk= 4566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1231,1232, igr2=1172,1173,1174, &end # # 95 ASN HD2+ 82 ALA HA 5.50 (# 4567:20 Unique 3.27, 3.88 A) &rst ixpk= 4567, nxpk= 20, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1399,1400, &end # # 0 AMB 20-2:4569 72 GLU HA 5.50 (# 4569:20 Single Ambig) &rst ixpk= 4569, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1701,1054, &end # # 85 PHE HA 85 PHE HB- 3.50 (# 4570:20 Unique 2.70, 2.87 A) &rst ixpk= 4570, nxpk= 20, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1231,1232, &end # # 81 ILE QG2 85 PHE HB- 5.50 (# 4571:20 Unique 2.69, 4.24 A) &rst ixpk= 4571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1172,1173,1174, igr2=1231,1232, &end # # 81 ILE QD1 85 PHE HB- 5.50 (# 4572:20 Unique 5.51, 7.34 A) &rst ixpk= 4572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1179,1180,1181, igr2=1231,1232, &end # # 84 MET HB- 85 PHE HB- 5.50 (# 4573:20 Unique 4.47, 5.71 A) &rst ixpk= 4573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1214,1215, igr2=1231,1232, &end # # 0 AMB 20-2:4574 0 AMB 20-1:4574 5.50 (# 4574:20 Double Ambig) &rst ixpk= 4574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1187,1373, igr2=1231,1232,1231,1232, &end # # 0 AMB 20-2:4575 85 PHE HB- 5.50 (# 4575:20 Single Ambig) &rst ixpk= 4575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1187,1373, igr2=1231,1232, &end # # 0 AMB 20-2:4578 0 AMB 20-1:4578 3.50 (# 4578:20 Double Ambig) &rst ixpk= 4578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1264,1309, igr2=1268,1269,1251,1252,1251,1252, &end # # 123 PRO HD+ 123 PRO HA 4.50 (# 4579:20 Unique 3.65, 3.89 A) &rst ixpk= 4579, nxpk= 20, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1849,1850, &end # # 88 THR HA 88 THR HB 2.80 (# 4580:20 Unique 2.26, 2.52 A) &rst ixpk= 4580, nxpk= 20, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 86 MET HB- 89 THR HA 5.50 (# 4582:20 Unique 3.63, 6.25 A) &rst ixpk= 4582, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1251,1252, &end # # 94 LEU HB+ 91 ASN HB+ 5.50 (# 4586:20 Unique 5.64, 7.51 A) &rst ixpk= 4586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1375,1376, igr2=1330,1331, &end # # 94 LEU HB+ 91 ASN HB- 5.50 (# 4587:20 Unique 5.64, 7.51 A) &rst ixpk= 4587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1375,1376, igr2=1330,1331, &end # # 64 THR MG2 91 ASN HB- 5.50 (# 4588:20 Unique 5.12, 7.37 A) &rst ixpk= 4588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 922, 923, 924, igr2=1330,1331, &end # # 42 ALA HA 94 LEU MDX 5.50 (# 4589:20 Unique 4.78, 7.26 A) &rst ixpk= 4589, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1380,1381,1382,1384,1385,1386, &end # # 0 AMB 20-2:4591 94 LEU MDX 5.50 (# 4591:20 Single Ambig) &rst ixpk= 4591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1229,1342, 114, igr2=1380,1381,1382,1384,1385,1386, &end # # 46 ASP HB- 97 LEU MDX 4.50 (# 4593:20 Unique 4.72, 6.40 A) &rst ixpk= 4593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 615, 616, igr2=1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:4594 94 LEU MDX 5.50 (# 4594:20 Single Ambig) &rst ixpk= 4594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 549,1367, 578, igr2=1380,1381,1382,1384,1385,1386, &end # # 43 PRO HA 97 LEU MDX 5.50 (# 4595:20 Unique 4.10, 5.46 A) &rst ixpk= 4595, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 95 ASN HN 95 ASN HA 3.50 (# 4596:20 Unique 2.82, 2.84 A) &rst ixpk= 4596, nxpk= 20, iat=1390,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 54 ARG HN 53 LEU HA 4.50 (# 4597:20 Unique 3.22, 3.27 A) &rst ixpk= 4597, nxpk= 20, iat= 745, 728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4598 53 LEU HA 5.50 (# 4598:20 Single Ambig) &rst ixpk= 4598, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 770, 771, 670, &end # # 81 ILE QD1 95 ASN HA 5.50 (# 4599:20 Unique 3.10, 4.36 A) &rst ixpk= 4599, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1179,1180,1181, &end # # 95 ASN HD2- 95 ASN HA 5.50 (# 4600:20 Unique 2.15, 4.36 A) &rst ixpk= 4600, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1399,1400, &end # # 0 AMB 20-2:4602 0 AMB 20-1:4602 5.50 (# 4602:20 Double Ambig) &rst ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1=1754,1755,1189,1190,1191, igr2=1831,1832,1394,1395, &end # # 95 ASN HA 0 AMB 20-1:4603 5.50 (# 4603:20 Single Ambig) &rst ixpk= 4603, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1408,1409,1408,1409, &end # # 0 AMB 20-2:4605 0 AMB 20-1:4605 5.50 (# 4605:20 Double Ambig) &rst ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1429,1430,1429,1430, igr2=1408,1409,1408,1409, &end # # 47 ILE QD1 97 LEU HA 2.80 (# 4606:20 Unique 2.18, 3.42 A) &rst ixpk= 4606, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 636, 637, 638, &end # # 0 AMB 20-2:4607 0 AMB 20-1:4607 3.50 (# 4607:20 Double Ambig) &rst ixpk= 4607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 584,1373, igr2=1429,1430,1429,1430, &end # # 99 ASP HN 97 LEU HB+ 5.50 (# 4608:20 Unique 4.85, 5.62 A) &rst ixpk= 4608, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1429,1430, &end # # 0 AMB 20-2:4610 0 AMB 20-1:4610 4.50 (# 4610:20 Double Ambig) &rst ixpk= 4610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1482,1483,1479,1480,1479,1480, igr2=1429,1430,1429,1430,1429,1430, &end # # 145 ASN HD2+ 75 ILE HG1- 5.50 (# 4611:20 Unique 2.51, 3.44 A) &rst ixpk= 4611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2206,2207, igr2=1088,1089, &end # # 98 ILE HA 97 LEU MDX 5.50 (# 4612:20 Unique 2.57, 5.20 A) &rst ixpk= 4612, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 47 ILE HA 97 LEU MDX 5.50 (# 4613:20 Unique 3.23, 5.58 A) &rst ixpk= 4613, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 43 PRO HD- 94 LEU MDX 5.50 (# 4614:20 Unique 2.97, 5.36 A) &rst ixpk= 4614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 569, 570, igr2=1380,1381,1382,1384,1385,1386, &end # # 47 ILE HN 97 LEU MDX 5.50 (# 4615:20 Unique 3.85, 5.88 A) &rst ixpk= 4615, nxpk= 20, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HN 97 LEU MDX 5.50 (# 4616:20 Unique 3.99, 4.99 A) &rst ixpk= 4616, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 0 AMB 20-2:4617 97 LEU MDX 5.50 (# 4617:20 Single Ambig) &rst ixpk= 4617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1492,1475, igr2=1434,1435,1436,1438,1439,1440, &end # # 98 ILE HN 97 LEU MDX 5.50 (# 4618:20 Unique 3.06, 4.85 A) &rst ixpk= 4618, nxpk= 20, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 44 GLU HN 97 LEU MDX 5.50 (# 4619:20 Unique 3.18, 5.16 A) &rst ixpk= 4619, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HN 97 LEU MDY 5.50 (# 4621:20 Unique 3.99, 4.99 A) &rst ixpk= 4621, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1434,1435,1436,1438,1439,1440, &end # # 100 GLN HE2- 97 LEU MDY 5.50 (# 4624:20 Unique 3.68, 6.69 A) &rst ixpk= 4624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1487,1488, igr2=1434,1435,1436,1438,1439,1440, &end # # 96 TYR HD 97 LEU MDY 5.50 (# 4625:20 Unique 5.94, 7.68 A) &rst ixpk= 4625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1412,1421, igr2=1434,1435,1436,1438,1439,1440, &end # # 97 LEU HG 98 ILE HA 4.50 (# 4626:20 Unique 2.79, 3.16 A) &rst ixpk= 4626, nxpk= 20, iat=1432,1446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:4627 98 ILE HA 5.50 (# 4627:20 Single Ambig) &rst ixpk= 4627, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1515,1516,1479,1480,1479,1480,1482,1483, &end # # 81 ILE QD1 98 ILE HB 5.50 (# 4628:20 Unique 3.95, 5.10 A) &rst ixpk= 4628, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1179,1180,1181, &end # # 97 LEU HN 98 ILE HG1- 5.50 (# 4629:20 Unique 3.85, 5.25 A) &rst ixpk= 4629, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1454,1455, &end # # 95 ASN HA 98 ILE HG1+ 5.50 (# 4630:20 Unique 2.74, 4.14 A) &rst ixpk= 4630, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1454,1455, &end # # 95 ASN HB- 98 ILE QG2 4.50 (# 4634:20 Unique 4.15, 5.87 A) &rst ixpk= 4634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1394,1395, igr2=1450,1451,1452, &end # # 0 AMB 20-2:4635 98 ILE QG2 5.50 (# 4635:20 Single Ambig) &rst ixpk= 4635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1467,1468,1394,1395, igr2=1450,1451,1452, &end # # 0 AMB 20-2:4636 98 ILE QG2 3.50 (# 4636:20 Single Ambig) &rst ixpk= 4636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1132,1133,1135,1136, igr2=1450,1451,1452, &end # # 0 AMB 20-2:4637 98 ILE QG2 2.80 (# 4637:20 Single Ambig) &rst ixpk= 4637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1521,1522,1521,1522,1454,1455, igr2=1450,1451,1452, &end # # 0 AMB 20-2:4638 0 AMB 20-1:4638 4.50 (# 4638:20 Double Ambig) &rst ixpk= 4638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1477,2146,2147, igr2=1465,2112, &end # # 25 LYS HA 28 ALA HA 5.50 (# 4639:20 Unique 5.46, 5.51 A) &rst ixpk= 4639, nxpk= 20, iat= 328, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4640 99 ASP HA 5.50 (# 4640:20 Single Ambig) &rst ixpk= 4640, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1533,1444, &end # # 96 TYR HD 99 ASP HB+ 5.50 (# 4641:20 Unique 4.04, 6.72 A) &rst ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2=1467,1468, &end # # 100 GLN HA 99 ASP HB+ 5.50 (# 4642:20 Unique 4.32, 5.10 A) &rst ixpk= 4642, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1467,1468, &end # # 0 AMB 20-2:4643 0 AMB 20-1:4643 4.50 (# 4643:20 Double Ambig) &rst ixpk= 4643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1448,1515,1516,1132,1133, igr2=1467,1468,1467,1468,1467,1468, &end # # 0 AMB 20-2:4644 0 AMB 20-1:4644 5.50 (# 4644:20 Double Ambig) &rst ixpk= 4644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50, igr1=1482,1483,1135,1136,1479,1480,1479,1480, igr2=1467,1468,1467,1468,1467,1468,1467,1468, &end # # 98 ILE QG2 99 ASP HB+ 4.50 (# 4646:20 Unique 3.93, 5.81 A) &rst ixpk= 4646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1450,1451,1452, igr2=1467,1468, &end # # 0 AMB 20-2:4647 0 AMB 20-1:4647 5.50 (# 4647:20 Double Ambig) &rst ixpk= 4647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1521,1522,1521,1522, igr2=1467,1468,1467,1468, &end # # 0 AMB 20-2:4648 0 AMB 20-1:4648 4.50 (# 4648:20 Double Ambig) &rst ixpk= 4648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1448,1132,1133, igr2=1467,1468,1146,1147, &end # # 96 TYR HD 99 ASP HB- 5.50 (# 4649:20 Unique 4.04, 6.72 A) &rst ixpk= 4649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1412,1421, igr2=1467,1468, &end # # 102 LYS HN 100 GLN HA 5.50 (# 4651:20 Unique 4.19, 4.55 A) &rst ixpk= 4651, nxpk= 20, iat=1511,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 GLN HE2- 100 GLN HA 5.50 (# 4653:20 Unique 2.99, 4.56 A) &rst ixpk= 4653, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1487,1488, &end # # 0 AMB 20-2:4654 100 GLN HA 5.50 (# 4654:20 Single Ambig) &rst ixpk= 4654, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1467,1468,1552,1553, &end # # 99 ASP HB- 100 GLN HA 5.50 (# 4655:20 Unique 4.32, 5.10 A) &rst ixpk= 4655, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1467,1468, &end # # 103 GLU HG+ 100 GLN HA 4.50 (# 4656:20 Unique 2.50, 4.35 A) &rst ixpk= 4656, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1540,1541, &end # # 101 LEU HB- 100 GLN HA 5.50 (# 4657:20 Unique 5.25, 6.07 A) &rst ixpk= 4657, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1496,1497, &end # # 0 AMB 20-2:4658 0 AMB 20-1:4658 2.80 (# 4658:20 Double Ambig) &rst ixpk= 4658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1501,1502,1503,1505,1506,1507, 629, 630, 631, 636, 637, 638, igr2=1479,1480,1479,1480,1479,1480,1479,1480, &end # # 100 GLN HE2- 0 AMB 20-1:4660 5.50 (# 4660:20 Single Ambig) &rst ixpk= 4660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1487,1488, igr2=1479,1480,1479,1480, &end # # 0 AMB 20-2:4661 51 ARG HG- 5.50 (# 4661:20 Single Ambig) &rst ixpk= 4661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 711,1511, igr2= 694, 695, &end # # 0 AMB 20-2:4662 51 ARG HG- 5.50 (# 4662:20 Single Ambig) &rst ixpk= 4662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 644, 625, igr2= 694, 695, &end # # 51 ARG HE 51 ARG HG- 5.50 (# 4663:20 Unique 2.50, 2.74 A) &rst ixpk= 4663, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 694, 695, &end # # 97 LEU HA 100 GLN HG- 5.50 (# 4664:20 Unique 2.81, 5.09 A) &rst ixpk= 4664, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1482,1483, &end # # 97 LEU HA 100 GLN HG+ 5.50 (# 4665:20 Unique 2.81, 5.09 A) &rst ixpk= 4665, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1482,1483, &end # # 0 AMB 20-2:4666 101 LEU HB- 3.50 (# 4666:20 Single Ambig) &rst ixpk= 4666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1=1501,1502,1503,1505,1506,1507, 830, 831, 832, 834, 835, 836,1607,1608,1609,1611,1612,1613,1607,1608, 1609,1611,1612,1613, 674, 675, 676, igr2=1496,1497, &end # # 98 ILE HA 101 LEU HB+ 5.50 (# 4668:20 Unique 2.50, 3.62 A) &rst ixpk= 4668, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1496,1497, &end # # 0 AMB 20-2:4669 101 LEU HB- 5.50 (# 4669:20 Single Ambig) &rst ixpk= 4669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1513, 770, 771, igr2=1496,1497, &end # # 0 AMB 20-2:4670 0 AMB 20-1:4670 5.50 (# 4670:20 Double Ambig) &rst ixpk= 4670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1513, 770, 771, igr2=1496,1497,1496,1497, &end # # 138 ARG HD- 138 ARG HG- 4.50 (# 4673:20 Unique 2.24, 2.62 A) &rst ixpk= 4673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2096,2097, igr2=2093,2094, &end # # 146 GLY HA+ 138 ARG HG- 5.50 (# 4674:20 Unique 2.27, 3.64 A) &rst ixpk= 4674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2213,2214, igr2=2093,2094, &end # # 51 ARG HE 101 LEU MDY 5.50 (# 4675:20 Unique 2.62, 5.21 A) &rst ixpk= 4675, nxpk= 20, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1501,1502,1503,1505,1506,1507, &end # # 58 LEU HN 108 VAL MGX 4.50 (# 4677:20 Unique 3.63, 5.30 A) &rst ixpk= 4677, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1607,1608,1609,1611,1612,1613, &end # # 0 AMB 20-2:4678 108 VAL MGX 3.50 (# 4678:20 Single Ambig) &rst ixpk= 4678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1617,1636, igr2=1607,1608,1609,1611,1612,1613, &end # # 58 LEU HA 108 VAL MGX 5.50 (# 4679:20 Unique 5.07, 6.52 A) &rst ixpk= 4679, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1607,1608,1609,1611,1612,1613, &end # # 108 VAL HA 108 VAL MGX 2.80 (# 4680:20 Unique 2.33, 3.14 A) &rst ixpk= 4680, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1607,1608,1609,1611,1612,1613, &end # # 0 AMB 20-2:4681 102 LYS HA 2.80 (# 4681:20 Single Ambig) &rst ixpk= 4681, nxpk= 20, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1515,1516,1605, &end # # 103 GLU HG+ 102 LYS HG+ 5.50 (# 4682:20 Unique 2.21, 5.16 A) &rst ixpk= 4682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1540,1541, igr2=1518,1519, &end # # 0 AMB 20-2:4683 0 AMB 20-1:4683 5.50 (# 4683:20 Double Ambig) &rst ixpk= 4683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1540,1541, 318, 319, igr2=1518,1519, 333, 334, &end # # 103 GLU HN 102 LYS HG- 4.50 (# 4684:20 Unique 2.33, 3.41 A) &rst ixpk= 4684, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1518,1519, &end # # 102 LYS HA 0 AMB 20-1:4686 5.50 (# 4686:20 Single Ambig) &rst ixpk= 4686, nxpk= 20, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1524,1525,1524,1525, &end # # 139 LEU HN 138 ARG HD- 5.50 (# 4687:20 Unique 5.06, 6.01 A) &rst ixpk= 4687, nxpk= 20, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2096,2097, &end # # 0 AMB 20-2:4688 0 AMB 20-1:4688 5.50 (# 4688:20 Double Ambig) &rst ixpk= 4688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1475,1492, igr2=1524,1525,1524,1525,1524,1525, &end # # 104 ASP HA 103 GLU HB- 4.50 (# 4689:20 Unique 4.64, 5.14 A) &rst ixpk= 4689, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1537,1538, &end # # 104 ASP HN 103 GLU HG- 5.50 (# 4690:20 Unique 2.54, 4.05 A) &rst ixpk= 4690, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1540,1541, &end # # 101 LEU HA 104 ASP HB- 5.50 (# 4691:20 Unique 2.52, 4.06 A) &rst ixpk= 4691, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1552,1553, &end # # 101 LEU HA 104 ASP HB+ 5.50 (# 4692:20 Unique 2.52, 4.06 A) &rst ixpk= 4692, nxpk= 20, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1552,1553, &end # # 101 LEU MDY 104 ASP HB- 5.50 (# 4693:20 Unique 3.78, 7.36 A) &rst ixpk= 4693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1501,1502,1503,1505,1506,1507, igr2=1552,1553, &end # # 105 ILE HG1+ 104 ASP HB- 5.50 (# 4694:20 Unique 2.48, 4.41 A) &rst ixpk= 4694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1570,1571, igr2=1552,1553, &end # # 51 ARG HA 104 ASP HB- 5.50 (# 4695:20 Unique 4.36, 5.48 A) &rst ixpk= 4695, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1552,1553, &end # # 0 AMB 20-2:4696 104 ASP HB- 5.50 (# 4696:20 Single Ambig) &rst ixpk= 4696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 770, 771,1513, igr2=1552,1553, &end # # 105 ILE HG1- 105 ILE QD1 2.80 (# 4697:20 Unique 2.31, 2.66 A) &rst ixpk= 4697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1570,1571, igr2=1573,1574,1575, &end # # 104 ASP HB- 105 ILE QD1 5.50 (# 4698:20 Unique 4.12, 6.19 A) &rst ixpk= 4698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1552,1553, igr2=1573,1574,1575, &end # # 51 ARG HA 105 ILE QD1 5.50 (# 4699:20 Unique 4.10, 5.43 A) &rst ixpk= 4699, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 108 VAL HA 105 ILE QD1 5.50 (# 4700:20 Unique 4.63, 5.50 A) &rst ixpk= 4700, nxpk= 20, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 58 LEU HA 105 ILE QD1 5.50 (# 4701:20 Unique 4.27, 5.21 A) &rst ixpk= 4701, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 101 LEU HN 105 ILE QD1 5.50 (# 4702:20 Unique 5.26, 6.31 A) &rst ixpk= 4702, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1573,1574,1575, &end # # 56 THR HN 105 ILE QG2 5.50 (# 4705:20 Unique 4.30, 5.44 A) &rst ixpk= 4705, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1566,1567,1568, &end # # 58 LEU HA 105 ILE QG2 5.50 (# 4706:20 Unique 4.23, 5.06 A) &rst ixpk= 4706, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1566,1567,1568, &end # # 57 ARG HA 105 ILE QG2 4.50 (# 4707:20 Unique 2.29, 2.58 A) &rst ixpk= 4707, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1566,1567,1568, &end # # 0 AMB 20-2:4709 0 AMB 20-1:4709 5.50 (# 4709:20 Double Ambig) &rst ixpk= 4709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1=1754,1755,1769,1770,1771,1773,1774,1775, igr2= 196, 197, 196, 197, &end # # 0 AMB 20-2:4710 0 AMB 20-1:4710 5.50 (# 4710:20 Double Ambig) &rst ixpk= 4710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=1627,1628, 804, 805, 804, 805, igr2=2192,2193,1581,1582, &end # # 0 AMB 20-2:4711 106 GLY HA- 4.50 (# 4711:20 Single Ambig) &rst ixpk= 4711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1562, 787, igr2=1581,1582, &end # # 105 ILE QG2 107 GLU HA 5.50 (# 4712:20 Unique 3.87, 5.01 A) &rst ixpk= 4712, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1566,1567,1568, &end # # 130 ASP HN 129 LYS HB+ 4.50 (# 4713:20 Unique 2.36, 2.90 A) &rst ixpk= 4713, nxpk= 20, iat=1965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1947,1948, &end # # 0 AMB 20-2:4715 108 VAL HA 2.80 (# 4715:20 Single Ambig) &rst ixpk= 4715, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:4716 108 VAL HA 3.50 (# 4716:20 Single Ambig) &rst ixpk= 4716, nxpk= 20, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1605, 825, 826, &end # # 109 ILE HN 108 VAL HA 2.80 (# 4717:20 Unique 2.04, 2.10 A) &rst ixpk= 4717, nxpk= 20, iat=1617,1603, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 20-2:4718 0 AMB 20-1:4718 5.50 (# 4718:20 Double Ambig) &rst ixpk= 4718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1586, 966, igr2= 801, 802,1708,1709, &end # # 60 ILE HN 108 VAL MGY 5.50 (# 4719:20 Unique 4.88, 7.32 A) &rst ixpk= 4719, nxpk= 20, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1607,1608,1609,1611,1612,1613, &end # # 142 TRP HZ2 109 ILE HB 5.50 (# 4720:20 Unique 2.60, 3.92 A) &rst ixpk= 4720, nxpk= 20, iat=2164,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 109 ILE HG1- 109 ILE HB 3.50 (# 4721:20 Unique 2.64, 2.87 A) &rst ixpk= 4721, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1627,1628, &end # # 107 GLU HG- 109 ILE HG1- 5.50 (# 4722:20 Unique 2.17, 3.39 A) &rst ixpk= 4722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1593,1594, igr2=1627,1628, &end # # 0 AMB 20-2:4723 0 AMB 20-1:4723 4.50 (# 4723:20 Double Ambig) &rst ixpk= 4723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=2090,2091,2090,2091, igr2=2093,2094,2093,2094, &end # # 0 AMB 20-2:4724 109 ILE HG1- 5.50 (# 4724:20 Single Ambig) &rst ixpk= 4724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1603,2199, igr2=1627,1628, &end # # 107 GLU HN 109 ILE QD1 5.50 (# 4726:20 Unique 5.01, 6.38 A) &rst ixpk= 4726, nxpk= 20, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1630,1631,1632, &end # # 109 ILE HG1- 109 ILE QD1 2.80 (# 4727:20 Unique 2.29, 2.67 A) &rst ixpk= 4727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1627,1628, igr2=1630,1631,1632, &end # # 110 PHE HB- 110 PHE HA 4.50 (# 4728:20 Unique 2.55, 2.82 A) &rst ixpk= 4728, nxpk= 20, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 110 PHE HB+ 110 PHE HA 4.50 (# 4729:20 Unique 2.55, 2.82 A) &rst ixpk= 4729, nxpk= 20, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1640,1641, &end # # 0 AMB 20-2:4730 111 LEU HB- 5.50 (# 4730:20 Single Ambig) &rst ixpk= 4730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1=1088,1089, 863,1627,1628, igr2=1660,1661, &end # # 0 AMB 20-2:4731 0 AMB 20-1:4731 5.50 (# 4731:20 Double Ambig) &rst ixpk= 4731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=1088,1089, 863, 869, 870, igr2=1660,1661,1660,1661,1660,1661, &end # # 59 LEU MDY 111 LEU HB+ 3.50 (# 4732:20 Unique 2.50, 4.50 A) &rst ixpk= 4732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 849, 850, 851, 853, 854, 855, igr2=1660,1661, &end # # 111 LEU HB+ 111 LEU HG 4.50 (# 4733:20 Unique 2.62, 2.85 A) &rst ixpk= 4733, nxpk= 20, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1660,1661, &end # # 0 AMB 20-2:4736 111 LEU MDX 5.50 (# 4736:20 Single Ambig) &rst ixpk= 4736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2227,2022, igr2=1665,1666,1667,1669,1670,1671, &end # # 74 ARG HA 111 LEU MDX 5.50 (# 4737:20 Unique 5.28, 6.54 A) &rst ixpk= 4737, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1665,1666,1667,1669,1670,1671, &end # # 148 PHE HB- 111 LEU MDX 5.50 (# 4738:20 Unique 2.98, 5.29 A) &rst ixpk= 4738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2229,2230, igr2=1665,1666,1667,1669,1670,1671, &end # # 111 LEU HB+ 111 LEU MDX 2.80 (# 4739:20 Unique 2.20, 3.25 A) &rst ixpk= 4739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1660,1661, igr2=1665,1666,1667,1669,1670,1671, &end # # 75 ILE HG1+ 111 LEU MDX 4.50 (# 4741:20 Unique 3.99, 6.73 A) &rst ixpk= 4741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1088,1089, igr2=1665,1666,1667,1669,1670,1671, &end # # 0 AMB 20-2:4744 112 GLY HA- 5.50 (# 4744:20 Single Ambig) &rst ixpk= 4744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1054,1701, igr2=1677,1678, &end # # 0 AMB 20-2:4747 0 AMB 20-1:4747 5.50 (# 4747:20 Double Ambig) &rst ixpk= 4747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1686,1660,1661, igr2=1677,1678,1677,1678, &end # # 112 GLY HN 113 ILE HA 5.50 (# 4748:20 Unique 5.18, 5.22 A) &rst ixpk= 4748, nxpk= 20, iat=1675,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4749 113 ILE HB 5.50 (# 4749:20 Single Ambig) &rst ixpk= 4749, nxpk= 20, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1981,1982,1983, 882, &end # # 129 LYS HN 113 ILE QG2 5.50 (# 4751:20 Unique 5.99, 6.73 A) &rst ixpk= 4751, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1688,1689,1690, &end # # 0 AMB 20-2:4753 113 ILE QD1 4.50 (# 4753:20 Single Ambig) &rst ixpk= 4753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1926, 284, igr2=1695,1696,1697, &end # # 131 ALA HN 113 ILE QD1 5.50 (# 4754:20 Unique 5.18, 6.33 A) &rst ixpk= 4754, nxpk= 20, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1695,1696,1697, &end # # 118 VAL MGX 115 PRO HB- 4.50 (# 4755:20 Unique 2.14, 4.92 A) &rst ixpk= 4755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1769,1770,1771,1773,1774,1775, igr2=1725,1726, &end # # 63 ALA MB 115 PRO HB+ 3.50 (# 4756:20 Unique 2.26, 3.95 A) &rst ixpk= 4756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 910, 911, 912, igr2=1725,1726, &end # # 63 ALA MB 115 PRO HB- 4.50 (# 4757:20 Unique 2.26, 3.95 A) &rst ixpk= 4757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 910, 911, 912, igr2=1725,1726, &end # # 0 AMB 20-2:4758 0 AMB 20-1:4758 5.50 (# 4758:20 Double Ambig) &rst ixpk= 4758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1703, 203, igr2=1722,1723,1722,1723, &end # # 128 ILE QD1 115 PRO HD+ 5.50 (# 4759:20 Unique 5.74, 6.80 A) &rst ixpk= 4759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1937,1938,1939, igr2=1719,1720, &end # # 63 ALA HA 115 PRO HD+ 5.50 (# 4760:20 Unique 3.52, 4.48 A) &rst ixpk= 4760, nxpk= 20, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1719,1720, &end # # 127 PRO HB- 127 PRO HD- 4.50 (# 4761:20 Unique 2.80, 3.68 A) &rst ixpk= 4761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1917,1918, igr2=1911,1912, &end # # 70 PRO HB- 116 ASP HB- 3.50 (# 4762:20 Unique 2.11, 3.34 A) &rst ixpk= 4762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1006,1007, igr2=1736,1737, &end # # 0 AMB 20-2:4763 0 AMB 20-1:4763 4.50 (# 4763:20 Double Ambig) &rst ixpk= 4763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 350,1099, igr2= 416, 417,1120,1121, &end # # 117 ILE HG1+ 117 ILE HA 4.50 (# 4764:20 Unique 3.35, 4.01 A) &rst ixpk= 4764, nxpk= 20, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1754,1755, &end # # 0 AMB 20-2:4766 117 ILE HB 5.50 (# 4766:20 Single Ambig) &rst ixpk= 4766, nxpk= 20, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1765,1881, &end # # 117 ILE QG2 117 ILE HG1+ 2.80 (# 4768:20 Unique 2.19, 3.11 A) &rst ixpk= 4768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1750,1751,1752, igr2=1754,1755, &end # # 125 THR MG2 117 ILE HG1- 3.50 (# 4769:20 Unique 2.12, 3.31 A) &rst ixpk= 4769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1885,1886,1887, igr2=1754,1755, &end # # 116 ASP HB- 117 ILE HG1- 5.50 (# 4770:20 Unique 3.65, 5.68 A) &rst ixpk= 4770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1736,1737, igr2=1754,1755, &end # # 122 TYR HB- 117 ILE HG1- 5.50 (# 4771:20 Unique 2.38, 4.95 A) &rst ixpk= 4771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1831,1832, igr2=1754,1755, &end # # 116 ASP HB+ 117 ILE HG1- 5.50 (# 4773:20 Unique 3.65, 5.68 A) &rst ixpk= 4773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1736,1737, igr2=1754,1755, &end # # 14 GLY HA+ 117 ILE HG1+ 5.50 (# 4774:20 Unique 2.99, 4.38 A) &rst ixpk= 4774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 196, 197, igr2=1754,1755, &end # # 122 TYR HD 117 ILE HG1- 5.50 (# 4775:20 Unique 2.94, 6.26 A) &rst ixpk= 4775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1835,1844, igr2=1754,1755, &end # # 118 VAL HN 117 ILE HG1- 5.50 (# 4776:20 Unique 3.94, 4.94 A) &rst ixpk= 4776, nxpk= 20, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1754,1755, &end # # 122 TYR HE 117 ILE QD1 4.50 (# 4777:20 Unique 3.07, 6.07 A) &rst ixpk= 4777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1837,1842, igr2=1757,1758,1759, &end # # 119 GLY HN 117 ILE QD1 5.50 (# 4778:20 Unique 3.51, 4.63 A) &rst ixpk= 4778, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1757,1758,1759, &end # # 0 AMB 20-2:4779 117 ILE QD1 4.50 (# 4779:20 Single Ambig) &rst ixpk= 4779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1829,1788, igr2=1757,1758,1759, &end # # 0 AMB 20-2:4780 60 ILE QG2 4.50 (# 4780:20 Single Ambig) &rst ixpk= 4780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 898, 899,1640,1641, igr2= 865, 866, 867, &end # # 62 ASP HB- 60 ILE QG2 4.50 (# 4781:20 Unique 3.89, 5.54 A) &rst ixpk= 4781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 898, 899, igr2= 865, 866, 867, &end # # 95 ASN HB- 81 ILE QG2 5.50 (# 4782:20 Unique 2.24, 3.85 A) &rst ixpk= 4782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1394,1395, igr2=1172,1173,1174, &end # # 14 GLY HA- 118 VAL HA 3.50 (# 4784:20 Unique 2.43, 3.45 A) &rst ixpk= 4784, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 196, 197, &end # # 0 AMB 20-2:4785 125 THR HA 4.50 (# 4785:20 Single Ambig) &rst ixpk= 4785, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1897,1898,1897,1898,1855,1856, &end # # 122 TYR HB+ 118 VAL HA 5.50 (# 4786:20 Unique 3.91, 4.70 A) &rst ixpk= 4786, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1831,1832, &end # # 119 GLY HA- 118 VAL HA 5.50 (# 4787:20 Unique 4.39, 4.46 A) &rst ixpk= 4787, nxpk= 20, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1781,1782, &end # # 119 GLY HN 118 VAL HB 5.50 (# 4788:20 Unique 4.20, 4.27 A) &rst ixpk= 4788, nxpk= 20, iat=1779,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 117 ILE HA 118 VAL HB 5.50 (# 4789:20 Unique 4.51, 4.56 A) &rst ixpk= 4789, nxpk= 20, iat=1746,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4790 0 AMB 20-1:4790 2.80 (# 4790:20 Double Ambig) &rst ixpk= 4790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1= 629, 630, 631, 636, 637, 638,1769,1770,1771,1773, 1774,1775, igr2=1482,1483,1767, &end # # 118 VAL MGY 118 VAL HB 2.80 (# 4791:20 Unique 2.41, 2.67 A) &rst ixpk= 4791, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1769,1770,1771,1773,1774,1775, &end # # 125 THR HN 124 MET HB+ 5.50 (# 4792:20 Unique 4.05, 4.19 A) &rst ixpk= 4792, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1866,1867, &end # # 0 AMB 20-2:4793 114 GLN HG- 4.50 (# 4793:20 Single Ambig) &rst ixpk= 4793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1009,1719,1720, igr2=1708,1709, &end # # 0 AMB 20-2:4794 0 AMB 20-1:4794 3.50 (# 4794:20 Double Ambig) &rst ixpk= 4794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1009,1719,1720, igr2=1708,1709,1708,1709, &end # # 115 PRO HD- 118 VAL MGX 5.50 (# 4795:20 Unique 5.39, 7.63 A) &rst ixpk= 4795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1719,1720, igr2=1769,1770,1771,1773,1774,1775, &end # # 119 GLY HA- 118 VAL MGX 5.50 (# 4796:20 Unique 3.27, 5.83 A) &rst ixpk= 4796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1781,1782, igr2=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:4798 118 VAL MGX 5.50 (# 4798:20 Single Ambig) &rst ixpk= 4798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 196, 197,1719,1720, igr2=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:4799 118 VAL MGX 3.50 (# 4799:20 Single Ambig) &rst ixpk= 4799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 215,1788, igr2=1769,1770,1771,1773,1774,1775, &end # # 119 GLY HN 118 VAL MGX 5.50 (# 4800:20 Unique 2.96, 4.29 A) &rst ixpk= 4800, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1769,1770,1771,1773,1774,1775, &end # # 117 ILE HN 118 VAL MGX 5.50 (# 4801:20 Unique 3.59, 6.06 A) &rst ixpk= 4801, nxpk= 20, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1769,1770,1771,1773,1774,1775, &end # # 116 ASP HN 118 VAL MGX 4.50 (# 4802:20 Unique 3.49, 6.40 A) &rst ixpk= 4802, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1769,1770,1771,1773,1774,1775, &end # # 0 AMB 20-2:4803 112 GLY HA- 5.50 (# 4803:20 Single Ambig) &rst ixpk= 4803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1686,1660,1661, igr2=1677,1678, &end # # 118 VAL MGY 119 GLY HA- 5.50 (# 4804:20 Unique 3.27, 5.83 A) &rst ixpk= 4804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1769,1770,1771,1773,1774,1775, igr2=1781,1782, &end # # 0 AMB 20-2:4805 119 GLY HA- 5.50 (# 4805:20 Single Ambig) &rst ixpk= 4805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, igr1= 188, 189, 190, 181, 182, igr2=1781,1782, &end # # 120 PHE HB- 119 GLY HA+ 5.50 (# 4806:20 Unique 4.34, 5.51 A) &rst ixpk= 4806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1790,1791, igr2=1781,1782, &end # # 120 PHE HB- 119 GLY HA- 5.50 (# 4807:20 Unique 4.34, 5.51 A) &rst ixpk= 4807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1790,1791, igr2=1781,1782, &end # # 118 VAL HA 119 GLY HA- 5.50 (# 4808:20 Unique 4.39, 4.46 A) &rst ixpk= 4808, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1781,1782, &end # # 13 MET HA 119 GLY HA+ 5.50 (# 4809:20 Unique 4.19, 4.71 A) &rst ixpk= 4809, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1781,1782, &end # # 119 GLY HN 119 GLY HA- 4.50 (# 4810:20 Unique 2.73, 2.82 A) &rst ixpk= 4810, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1781,1782, &end # # 122 TYR HE 119 GLY HA- 5.50 (# 4811:20 Unique 2.74, 5.02 A) &rst ixpk= 4811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1837,1842, igr2=1781,1782, &end # # 120 PHE HN 120 PHE HA 4.50 (# 4812:20 Unique 2.83, 2.87 A) &rst ixpk= 4812, nxpk= 20, iat=1786,1788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 88 THR MG2 91 ASN HB- 5.50 (# 4813:20 Unique 2.54, 4.46 A) &rst ixpk= 4813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1287,1288,1289, igr2=1330,1331, &end # # 121 TYR HA 120 PHE HB+ 5.50 (# 4815:20 Unique 4.53, 5.24 A) &rst ixpk= 4815, nxpk= 20, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1790,1791, &end # # 81 ILE HA 95 ASN HB- 5.50 (# 4818:20 Unique 4.75, 5.63 A) &rst ixpk= 4818, nxpk= 20, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1394,1395, &end # # 0 AMB 20-2:4819 0 AMB 20-1:4819 5.50 (# 4819:20 Double Ambig) &rst ixpk= 4819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1748,1866,1867, igr2=1831,1832,1831,1832, &end # # 118 VAL HA 122 TYR HB- 5.50 (# 4820:20 Unique 3.91, 4.70 A) &rst ixpk= 4820, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1831,1832, &end # # 0 AMB 20-2:4821 95 ASN HB- 5.50 (# 4821:20 Single Ambig) &rst ixpk= 4821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1367,1144, igr2=1394,1395, &end # # 14 GLY HA- 122 TYR HB- 5.50 (# 4822:20 Unique 2.58, 3.13 A) &rst ixpk= 4822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 196, 197, igr2=1831,1832, &end # # 122 TYR HE 122 TYR HB- 5.50 (# 4823:20 Unique 4.63, 5.09 A) &rst ixpk= 4823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1837,1842, igr2=1831,1832, &end # # 122 TYR HE 122 TYR HB+ 5.50 (# 4824:20 Unique 4.63, 5.09 A) &rst ixpk= 4824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1837,1842, igr2=1831,1832, &end # # 123 PRO HD+ 123 PRO HB+ 4.50 (# 4825:20 Unique 2.94, 3.72 A) &rst ixpk= 4825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1849,1850, igr2=1855,1856, &end # # 123 PRO HD- 123 PRO HB- 4.50 (# 4826:20 Unique 2.94, 3.72 A) &rst ixpk= 4826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1849,1850, igr2=1855,1856, &end # # 123 PRO HD+ 123 PRO HG- 2.80 (# 4827:20 Unique 2.30, 2.60 A) &rst ixpk= 4827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1849,1850, igr2=1852,1853, &end # # 122 TYR HA 123 PRO HG- 4.50 (# 4828:20 Unique 4.52, 4.61 A) &rst ixpk= 4828, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1852,1853, &end # # 122 TYR HA 123 PRO HG+ 4.50 (# 4829:20 Unique 4.52, 4.61 A) &rst ixpk= 4829, nxpk= 20, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1852,1853, &end # # 124 MET HN 123 PRO HG+ 5.50 (# 4830:20 Unique 4.49, 5.03 A) &rst ixpk= 4830, nxpk= 20, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1852,1853, &end # # 42 ALA HN 0 AMB 20-1:4831 5.50 (# 4831:20 Single Ambig) &rst ixpk= 4831, nxpk= 20, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 572, 573, 572, 573, &end # # 123 PRO HA 123 PRO HD- 5.50 (# 4832:20 Unique 3.65, 3.89 A) &rst ixpk= 4832, nxpk= 20, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1849,1850, &end # # 15 ASP HN 124 MET HA 5.50 (# 4833:20 Unique 3.34, 3.73 A) &rst ixpk= 4833, nxpk= 20, iat= 201,1864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 129 LYS HG- 124 MET HB+ 4.50 (# 4834:20 Unique 2.46, 3.79 A) &rst ixpk= 4834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1950,1951, igr2=1866,1867, &end # # 129 LYS HG+ 124 MET HB- 5.50 (# 4835:20 Unique 2.46, 3.79 A) &rst ixpk= 4835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1950,1951, igr2=1866,1867, &end # # 0 AMB 20-2:4837 124 MET HG- 4.50 (# 4837:20 Single Ambig) &rst ixpk= 4837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1950,1951,1950,1951, igr2=1869,1870, &end # # 124 MET ME 124 MET HG+ 3.50 (# 4838:20 Unique 2.57, 3.74 A) &rst ixpk= 4838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1873,1874,1875, igr2=1869,1870, &end # # 124 MET HB+ 124 MET HG+ 3.50 (# 4839:20 Unique 2.45, 2.76 A) &rst ixpk= 4839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1866,1867, igr2=1869,1870, &end # # 0 AMB 20-2:4840 0 AMB 20-1:4840 5.50 (# 4840:20 Double Ambig) &rst ixpk= 4840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26, igr1=1945, 227, 228, 227, 228,1911,1912, igr2=1869,1870,1869,1870,1869,1870,1869,1870, &end # # 0 AMB 20-2:4841 125 THR HA 4.50 (# 4841:20 Single Ambig) &rst ixpk= 4841, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1911,1912,1895, &end # # 127 PRO HD- 125 THR HA 4.50 (# 4842:20 Unique 3.65, 4.50 A) &rst ixpk= 4842, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1911,1912, &end # # 0 AMB 20-2:4843 125 THR HA 5.50 (# 4843:20 Single Ambig) &rst ixpk= 4843, nxpk= 20, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1736,1737,1900,1901,1900,1901, &end # # 124 MET HG- 125 THR MG2 5.50 (# 4844:20 Unique 4.94, 6.25 A) &rst ixpk= 4844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1869,1870, igr2=1885,1886,1887, &end # # 70 PRO HG- 125 THR MG2 5.50 (# 4845:20 Unique 4.61, 7.02 A) &rst ixpk= 4845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1003,1004, igr2=1885,1886,1887, &end # # 70 PRO HB- 127 PRO HB+ 4.50 (# 4846:20 Unique 2.25, 3.90 A) &rst ixpk= 4846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1006,1007, igr2=1917,1918, &end # # 127 PRO HD+ 127 PRO HB+ 5.50 (# 4847:20 Unique 2.80, 3.68 A) &rst ixpk= 4847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1911,1912, igr2=1917,1918, &end # # 133 GLU HA 133 GLU HB- 3.50 (# 4848:20 Unique 2.45, 2.77 A) &rst ixpk= 4848, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=2007,2008, &end # # 0 AMB 20-2:4849 0 AMB 20-1:4849 4.50 (# 4849:20 Double Ambig) &rst ixpk= 4849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=1146,1147, 989, 990, 989, 990, igr2=1132,1133,1003,1004, &end # # 98 ILE QD1 78 PRO HG+ 4.50 (# 4850:20 Unique 2.24, 4.83 A) &rst ixpk= 4850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1457,1458,1459, igr2=1132,1133, &end # # 129 LYS HN 127 PRO HD- 5.50 (# 4851:20 Unique 4.58, 5.12 A) &rst ixpk= 4851, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1911,1912, &end # # 125 THR MG2 127 PRO HD+ 5.50 (# 4852:20 Unique 2.70, 5.04 A) &rst ixpk= 4852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1885,1886,1887, igr2=1911,1912, &end # # 93 PRO HB+ 93 PRO HD- 4.50 (# 4853:20 Unique 2.75, 3.66 A) &rst ixpk= 4853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1364,1365, igr2=1358,1359, &end # # 125 THR MG2 127 PRO HD- 5.50 (# 4854:20 Unique 2.70, 5.04 A) &rst ixpk= 4854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1885,1886,1887, igr2=1911,1912, &end # # 122 TYR HD 123 PRO HD+ 5.50 (# 4856:20 Unique 2.46, 4.77 A) &rst ixpk= 4856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1835,1844, igr2=1849,1850, &end # # 113 ILE QG2 128 ILE HG1- 5.50 (# 4857:20 Unique 2.37, 3.91 A) &rst ixpk= 4857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1688,1689,1690, igr2=1934,1935, &end # # 113 ILE QG2 128 ILE HG1+ 5.50 (# 4858:20 Unique 2.37, 3.91 A) &rst ixpk= 4858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1688,1689,1690, igr2=1934,1935, &end # # 128 ILE HB 128 ILE HG1+ 5.50 (# 4859:20 Unique 2.43, 2.77 A) &rst ixpk= 4859, nxpk= 20, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 116 ASP HN 128 ILE HG1- 5.50 (# 4860:20 Unique 3.14, 4.17 A) &rst ixpk= 4860, nxpk= 20, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1934,1935, &end # # 0 AMB 20-2:4861 128 ILE QD1 5.50 (# 4861:20 Single Ambig) &rst ixpk= 4861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1744,1713,1714, igr2=1937,1938,1939, &end # # 127 PRO HB+ 128 ILE QD1 4.50 (# 4862:20 Unique 2.27, 4.23 A) &rst ixpk= 4862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1917,1918, igr2=1937,1938,1939, &end # # 15 ASP HA 128 ILE QG2 3.50 (# 4864:20 Unique 2.29, 3.74 A) &rst ixpk= 4864, nxpk= 20, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1930,1931,1932, &end # # 129 LYS HN 128 ILE QG2 4.50 (# 4865:20 Unique 3.50, 4.36 A) &rst ixpk= 4865, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1930,1931,1932, &end # # 129 LYS HB+ 129 LYS HA 3.50 (# 4866:20 Unique 2.44, 2.82 A) &rst ixpk= 4866, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1947,1948, &end # # 129 LYS HD- 129 LYS HA 4.50 (# 4867:20 Unique 4.32, 4.63 A) &rst ixpk= 4867, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1953,1954, &end # # 126 GLN HA 129 LYS HB- 4.50 (# 4868:20 Unique 2.20, 3.20 A) &rst ixpk= 4868, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1947,1948, &end # # 103 GLU HN 102 LYS HB+ 4.50 (# 4869:20 Unique 2.20, 3.58 A) &rst ixpk= 4869, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1515,1516, &end # # 0 AMB 20-2:4870 129 LYS HD- 5.50 (# 4870:20 Single Ambig) &rst ixpk= 4870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1900,1901,1900,1901, igr2=1953,1954, &end # # 21 LEU MDX 129 LYS HD- 5.50 (# 4871:20 Unique 4.62, 6.21 A) &rst ixpk= 4871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 272, 273, 274, 276, 277, 278, igr2=1953,1954, &end # # 124 MET ME 129 LYS HE+ 4.50 (# 4873:20 Unique 5.19, 6.36 A) &rst ixpk= 4873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1873,1874,1875, igr2=1956,1957, &end # # 129 LYS HB- 129 LYS HE- 3.50 (# 4874:20 Unique 2.29, 3.84 A) &rst ixpk= 4874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1947,1948, igr2=1956,1957, &end # # 0 AMB 20-2:4875 0 AMB 20-1:4875 5.50 (# 4875:20 Double Ambig) &rst ixpk= 4875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1943,2003, igr2=1956,1957,1956,1957, &end # # 129 LYS HN 129 LYS HE- 5.50 (# 4876:20 Unique 5.41, 5.72 A) &rst ixpk= 4876, nxpk= 20, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1956,1957, &end # # 0 AMB 20-2:4877 130 ASP HA 5.50 (# 4877:20 Single Ambig) &rst ixpk= 4877, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1=1981,1982,1983,1953,1954, &end # # 132 VAL MGY 130 ASP HA 5.50 (# 4878:20 Unique 6.55, 7.44 A) &rst ixpk= 4878, nxpk= 20, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1993,1994,1995,1997,1998,1999, &end # # 128 ILE QD1 0 AMB 20-1:4880 5.50 (# 4880:20 Single Ambig) &rst ixpk= 4880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1937,1938,1939, igr2=1969,1970,1969,1970, &end # # 134 THR MG2 0 AMB 20-1:4881 5.50 (# 4881:20 Single Ambig) &rst ixpk= 4881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2024,2025,2026, igr2=1969,1970,1969,1970, &end # # 130 ASP HA 0 AMB 20-1:4882 3.50 (# 4882:20 Single Ambig) &rst ixpk= 4882, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2=1969,1970,1969,1970, &end # # 128 ILE HN 0 AMB 20-1:4883 5.50 (# 4883:20 Single Ambig) &rst ixpk= 4883, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2=1969,1970,1969,1970, &end # # 0 AMB 20-2:4884 131 ALA HA 5.50 (# 4884:20 Single Ambig) &rst ixpk= 4884, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2007,2008,2036,1928, &end # # 73 ILE HG1+ 131 ALA HA 5.50 (# 4885:20 Unique 2.98, 3.67 A) &rst ixpk= 4885, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1045,1046, &end # # 0 AMB 20-2:4886 131 ALA HA 5.50 (# 4886:20 Single Ambig) &rst ixpk= 4886, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1969,1970,1969,1970, &end # # 0 AMB 20-2:4887 131 ALA HA 4.50 (# 4887:20 Single Ambig) &rst ixpk= 4887, nxpk= 20, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2024,2025,2026,1039, &end # # 134 THR HA 131 ALA HA 5.50 (# 4889:20 Unique 5.01, 5.13 A) &rst ixpk= 4889, nxpk= 20, iat=2020,1979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:4890 131 ALA MB 4.50 (# 4890:20 Single Ambig) &rst ixpk= 4890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1928,2036,2007,2008,1914,1915, igr2=1981,1982,1983, &end # # 134 THR MG2 0 AMB 20-1:4891 3.50 (# 4891:20 Single Ambig) &rst ixpk= 4891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2024,2025,2026, igr2=2090,2091,2090,2091, &end # # 132 VAL MGX 132 VAL HB 2.80 (# 4892:20 Unique 2.36, 2.68 A) &rst ixpk= 4892, nxpk= 20, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1993,1994,1995,1997,1998,1999, &end # # 139 LEU MDX 0 AMB 20-1:4893 5.50 (# 4893:20 Single Ambig) &rst ixpk= 4893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2119,2120,2121,2123,2124,2125, igr2=2090,2091,2090,2091, &end # # 0 AMB 20-2:4895 151 LEU MDX 4.50 (# 4895:20 Single Ambig) &rst ixpk= 4895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 944,1099, igr2=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 20-2:4897 151 LEU MDY 5.50 (# 4897:20 Single Ambig) &rst ixpk= 4897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 944,1099, igr2=2281,2282,2283,2285,2286,2287, &end # # 74 ARG HD- 149 ALA HA 5.50 (# 4898:20 Unique 4.75, 4.98 A) &rst ixpk= 4898, nxpk= 20, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 66 MET HN 151 LEU MDY 5.50 (# 4899:20 Unique 5.52, 6.56 A) &rst ixpk= 4899, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2281,2282,2283,2285,2286,2287, &end # # 124 MET HG+ 132 VAL MGY 5.50 (# 4900:20 Unique 5.08, 7.07 A) &rst ixpk= 4900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1869,1870, igr2=1993,1994,1995,1997,1998,1999, &end # # 18 ALA HN 132 VAL MGY 5.50 (# 4901:20 Unique 4.79, 6.22 A) &rst ixpk= 4901, nxpk= 20, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1993,1994,1995,1997,1998,1999, &end # # 0 AMB 20-2:4902 132 VAL MGY 5.50 (# 4902:20 Single Ambig) &rst ixpk= 4902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2032, 311, igr2=1993,1994,1995,1997,1998,1999, &end # # 136 TYR HN 132 VAL MGY 5.50 (# 4903:20 Unique 4.11, 5.85 A) &rst ixpk= 4903, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1993,1994,1995,1997,1998,1999, &end # # 19 GLY HN 132 VAL MGY 5.50 (# 4904:20 Unique 5.00, 5.96 A) &rst ixpk= 4904, nxpk= 20, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1993,1994,1995,1997,1998,1999, &end # # 136 TYR HB- 0 AMB 20-1:4905 4.50 (# 4905:20 Single Ambig) &rst ixpk= 4905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=2052,2053, igr2=2038,2039,2040,2042,2043,2044,1993,1994,1995,1997, 1998,1999, &end # # 0 AMB 20-2:4906 133 GLU HA 4.50 (# 4906:20 Single Ambig) &rst ixpk= 4906, nxpk= 20, iat= -1,2005, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2018,2069,2081,2082, &end # # 102 LYS HG- 99 ASP HA 4.50 (# 4907:20 Unique 2.35, 3.81 A) &rst ixpk= 4907, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1518,1519, &end # # 0 AMB 20-2:4908 133 GLU HB- 3.50 (# 4908:20 Single Ambig) &rst ixpk= 4908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 339, 340, 339, 340,2010,2011, igr2=2007,2008, &end # # 0 AMB 20-2:4909 0 AMB 20-1:4909 5.50 (# 4909:20 Double Ambig) &rst ixpk= 4909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1969,1970,1969,1970,1956,1957, igr2=2007,2008,2007,2008,2007,2008, &end # # 0 AMB 20-2:4910 0 AMB 20-1:4910 5.50 (# 4910:20 Double Ambig) &rst ixpk= 4910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27, igr1=1969,1970,1969,1970,2076,2077,1969,1970,1956,1957, 1869,1870, igr2=2007,2008,1914,1915,1914,1915,1914,1915, &end # # 129 LYS HA 133 GLU HB+ 5.50 (# 4911:20 Unique 4.69, 5.15 A) &rst ixpk= 4911, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2007,2008, &end # # 127 PRO HD+ 127 PRO HG+ 3.50 (# 4912:20 Unique 2.30, 2.59 A) &rst ixpk= 4912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1911,1912, igr2=1914,1915, &end # # 0 AMB 20-2:4913 0 AMB 20-1:4913 4.50 (# 4913:20 Double Ambig) &rst ixpk= 4913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2018,2081,2082, igr2=2007,2008,2007,2008, &end # # 137 GLN HE2+ 133 GLU HG- 5.50 (# 4914:20 Unique 2.38, 3.49 A) &rst ixpk= 4914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2081,2082, igr2=2010,2011, &end # # 150 GLN HE2+ 150 GLN HG+ 4.50 (# 4915:20 Unique 2.29, 3.40 A) &rst ixpk= 4915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2267,2268, igr2=2262,2263, &end # # 137 GLN HE2+ 133 GLU HG+ 5.50 (# 4916:20 Unique 2.38, 3.49 A) &rst ixpk= 4916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2081,2082, igr2=2010,2011, &end # # 133 GLU HA 133 GLU HG- 5.50 (# 4917:20 Unique 2.23, 2.96 A) &rst ixpk= 4917, nxpk= 20, iat=2005, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 130 ASP HA 133 GLU HG+ 5.50 (# 4918:20 Unique 3.55, 4.72 A) &rst ixpk= 4918, nxpk= 20, iat=1967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2010,2011, &end # # 0 AMB 20-2:4919 134 THR HA 5.50 (# 4919:20 Single Ambig) &rst ixpk= 4919, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=2038,2039,2040,2042,2043,2044,1048,1049,1050, &end # # 0 AMB 20-2:4920 134 THR HA 5.50 (# 4920:20 Single Ambig) &rst ixpk= 4920, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2005,1979, &end # # 138 ARG HE 134 THR MG2 5.50 (# 4921:20 Unique 2.65, 4.59 A) &rst ixpk= 4921, nxpk= 20, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2024,2025,2026, &end # # 148 PHE HD 134 THR MG2 5.50 (# 4922:20 Unique 4.87, 6.46 A) &rst ixpk= 4922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2233,2241, igr2=2024,2025,2026, &end # # 138 ARG HN 134 THR MG2 5.50 (# 4923:20 Unique 4.96, 6.05 A) &rst ixpk= 4923, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2024,2025,2026, &end # # 136 TYR HN 134 THR MG2 5.50 (# 4924:20 Unique 5.40, 6.23 A) &rst ixpk= 4924, nxpk= 20, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2024,2025,2026, &end # # 73 ILE QG2 134 THR MG2 5.50 (# 4925:20 Unique 3.18, 6.01 A) &rst ixpk= 4925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1=1041,1042,1043, igr2=2024,2025,2026, &end # # 111 LEU MDX 134 THR MG2 5.50 (# 4926:20 Unique 5.32, 7.83 A) &rst ixpk= 4926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1665,1666,1667,1669,1670,1671, igr2=2024,2025,2026, &end # # 133 GLU HG- 134 THR MG2 5.50 (# 4927:20 Unique 6.39, 7.61 A) &rst ixpk= 4927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2010,2011, igr2=2024,2025,2026, &end # # 0 AMB 20-2:4928 134 THR MG2 5.50 (# 4928:20 Single Ambig) &rst ixpk= 4928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2076,2077,1969,1970, igr2=2024,2025,2026, &end # # 138 ARG HD+ 134 THR MG2 5.50 (# 4929:20 Unique 4.81, 6.55 A) &rst ixpk= 4929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2096,2097, igr2=2024,2025,2026, &end # # 135 VAL MGX 135 VAL HA 2.80 (# 4932:20 Unique 2.49, 3.31 A) &rst ixpk= 4932, nxpk= 20, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=2038,2039,2040,2042,2043,2044, &end # # 5 LEU HN 53 LEU MDY 5.50 (# 4936:20 Unique 5.01, 7.55 A) &rst ixpk= 4936, nxpk= 20, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 735, 736, 737, 739, 740, 741, &end # # 22 LEU HA 135 VAL MGY 5.50 (# 4938:20 Unique 4.89, 7.46 A) &rst ixpk= 4938, nxpk= 20, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2038,2039,2040,2042,2043,2044, &end # # 148 PHE HB+ 135 VAL MGY 5.50 (# 4939:20 Unique 5.47, 7.58 A) &rst ixpk= 4939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2229,2230, igr2=2038,2039,2040,2042,2043,2044, &end # # 148 PHE HB- 135 VAL MGY 5.50 (# 4940:20 Unique 5.47, 7.58 A) &rst ixpk= 4940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2229,2230, igr2=2038,2039,2040,2042,2043,2044, &end # # 22 LEU HB+ 135 VAL MGY 5.50 (# 4942:20 Unique 2.78, 5.65 A) &rst ixpk= 4942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 286, 287, igr2=2038,2039,2040,2042,2043,2044, &end # # 52 GLU HG+ 53 LEU MDY 4.50 (# 4943:20 Unique 4.11, 7.53 A) &rst ixpk= 4943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 718, 719, igr2= 735, 736, 737, 739, 740, 741, &end # # 0 AMB 20-2:4945 136 TYR HA 5.50 (# 4945:20 Single Ambig) &rst ixpk= 4945, nxpk= 20, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 416, 417, 339, 340, &end # # 0 AMB 20-2:4947 136 TYR HB- 5.50 (# 4947:20 Single Ambig) &rst ixpk= 4947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 284,2071, igr2=2052,2053, &end # # 134 THR MG2 137 GLN HB+ 5.50 (# 4949:20 Unique 4.35, 7.46 A) &rst ixpk= 4949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2024,2025,2026, igr2=2073,2074, &end # # 0 AMB 20-2:4951 0 AMB 20-1:4951 5.50 (# 4951:20 Double Ambig) &rst ixpk= 4951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2005,1979, igr2=2076,2077,2076,2077, &end # # 76 ILE QD1 66 MET HA 5.50 (# 4953:20 Unique 5.64, 6.68 A) &rst ixpk= 4953, nxpk= 20, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1110,1111,1112, &end # # 117 ILE QD1 124 MET HA 5.50 (# 4954:20 Unique 2.40, 4.86 A) &rst ixpk= 4954, nxpk= 20, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1757,1758,1759, &end # # 135 VAL HA 138 ARG HA 5.50 (# 4956:20 Unique 5.06, 5.27 A) &rst ixpk= 4956, nxpk= 20, iat=2034,2088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 135 VAL HA 138 ARG HG- 5.50 (# 4958:20 Unique 3.89, 4.86 A) &rst ixpk= 4958, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 135 VAL HA 138 ARG HG+ 5.50 (# 4959:20 Unique 3.89, 4.86 A) &rst ixpk= 4959, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2093,2094, &end # # 52 GLU HN 0 AMB 20-1:4960 5.50 (# 4960:20 Single Ambig) &rst ixpk= 4960, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr2= 752, 753, 752, 753, &end # # 0 AMB 20-2:4961 139 LEU HA 5.50 (# 4961:20 Single Ambig) &rst ixpk= 4961, nxpk= 20, iat= -1,2112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 459,2159, &end # # 142 TRP HN 139 LEU HA 5.50 (# 4962:20 Unique 2.76, 3.23 A) &rst ixpk= 4962, nxpk= 20, iat=2151,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 138 ARG HN 139 LEU HA 5.50 (# 4963:20 Unique 4.93, 5.12 A) &rst ixpk= 4963, nxpk= 20, iat=2086,2112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 GLN HG- 99 ASP HA 5.50 (# 4964:20 Unique 4.96, 6.19 A) &rst ixpk= 4964, nxpk= 20, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1482,1483, &end # # 0 AMB 20-2:4965 139 LEU HB- 4.50 (# 4965:20 Single Ambig) &rst ixpk= 4965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 407, 408, 413, 414, igr2=2114,2115, &end # # 0 AMB 20-2:4966 0 AMB 20-1:4966 4.50 (# 4966:20 Double Ambig) &rst ixpk= 4966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2117, 586, 587, igr2=2114,2115,1429,1430, &end # # 31 LYS HB+ 139 LEU HG 5.50 (# 4969:20 Unique 2.27, 3.50 A) &rst ixpk= 4969, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 407, 408, &end # # 31 LYS HB- 139 LEU HG 5.50 (# 4970:20 Unique 2.27, 3.50 A) &rst ixpk= 4970, nxpk= 20, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 407, 408, &end # # 31 LYS HB+ 139 LEU MDX 4.50 (# 4972:20 Unique 2.57, 5.20 A) &rst ixpk= 4972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 407, 408, igr2=2119,2120,2121,2123,2124,2125, &end # # 34 TRP HB- 139 LEU MDY 5.50 (# 4974:20 Unique 2.17, 5.23 A) &rst ixpk= 4974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 450, 451, igr2=2119,2120,2121,2123,2124,2125, &end # # 34 TRP HB+ 139 LEU MDY 5.50 (# 4975:20 Unique 2.17, 5.23 A) &rst ixpk= 4975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 450, 451, igr2=2119,2120,2121,2123,2124,2125, &end # # 142 TRP HB- 139 LEU MDY 5.50 (# 4976:20 Unique 3.06, 5.40 A) &rst ixpk= 4976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2155,2156, igr2=2119,2120,2121,2123,2124,2125, &end # # 135 VAL HA 139 LEU MDY 5.50 (# 4977:20 Unique 4.11, 6.22 A) &rst ixpk= 4977, nxpk= 20, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 138 ARG HN 139 LEU MDY 5.50 (# 4979:20 Unique 3.41, 5.84 A) &rst ixpk= 4979, nxpk= 20, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=2119,2120,2121,2123,2124,2125, &end # # 0 AMB 20-2:4980 139 LEU MDY 5.50 (# 4980:20 Single Ambig) &rst ixpk= 4980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1=2093,2094, 413, 414, 882, igr2=2119,2120,2121,2123,2124,2125, &end # # 94 LEU HB+ 94 LEU HA 3.50 (# 4981:20 Unique 2.53, 2.85 A) &rst ixpk= 4981, nxpk= 20, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1375,1376, &end # # 32 GLY HN 140 GLU HB+ 5.50 (# 4982:20 Unique 1.76, 3.11 A) &rst ixpk= 4982, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2133,2134, &end # # 140 GLU HB+ 141 GLY HA+ 5.50 (# 4983:20 Unique 4.24, 5.52 A) &rst ixpk= 4983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2133,2134, igr2=2146,2147, &end # # 140 GLU HB+ 141 GLY HA- 5.50 (# 4984:20 Unique 4.24, 5.52 A) &rst ixpk= 4984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2133,2134, igr2=2146,2147, &end # # 0 AMB 20-2:4985 141 GLY HA- 5.50 (# 4985:20 Single Ambig) &rst ixpk= 4985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2182,2183,2136,2137, igr2=2146,2147, &end # # 0 AMB 20-2:4986 0 AMB 20-1:4986 5.50 (# 4986:20 Double Ambig) &rst ixpk= 4986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2182,2183,2136,2137, igr2=2146,2147,2146,2147, &end # # 139 LEU MDY 142 TRP HB+ 5.50 (# 4987:20 Unique 3.06, 5.40 A) &rst ixpk= 4987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2119,2120,2121,2123,2124,2125, igr2=2155,2156, &end # # 143 GLU HA 142 TRP HB- 5.50 (# 4989:20 Unique 4.90, 5.41 A) &rst ixpk= 4989, nxpk= 20, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2155,2156, &end # # 34 TRP HH2 142 TRP HB- 5.50 (# 4990:20 Unique 4.37, 7.00 A) &rst ixpk= 4990, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2155,2156, &end # # 144 GLY HN 143 GLU HG- 5.50 (# 4991:20 Unique 2.79, 4.64 A) &rst ixpk= 4991, nxpk= 20, iat=2190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2182,2183, &end # # 145 ASN HB+ 144 GLY HA+ 5.50 (# 4992:20 Unique 3.89, 5.50 A) &rst ixpk= 4992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2201,2202, igr2=2192,2193, &end # # 145 ASN HB- 144 GLY HA+ 5.50 (# 4993:20 Unique 3.89, 5.50 A) &rst ixpk= 4993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2201,2202, igr2=2192,2193, &end # # 0 AMB 20-2:4994 0 AMB 20-1:4994 5.50 (# 4994:20 Double Ambig) &rst ixpk= 4994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=1593,1594,2182,2183, igr2=2192,2193,2192,2193, &end # # 142 TRP HD1 146 GLY HA- 5.50 (# 4995:20 Unique 2.08, 3.62 A) &rst ixpk= 4995, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 142 TRP HD1 146 GLY HA+ 5.50 (# 4996:20 Unique 2.08, 3.62 A) &rst ixpk= 4996, nxpk= 20, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2213,2214, &end # # 145 ASN HB- 146 GLY HA+ 5.50 (# 4999:20 Unique 4.86, 5.38 A) &rst ixpk= 4999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2201,2202, igr2=2213,2214, &end # # 138 ARG HG- 146 GLY HA+ 5.50 (# 5001:20 Unique 2.27, 3.64 A) &rst ixpk= 5001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2093,2094, igr2=2213,2214, &end # # 138 ARG HG- 146 GLY HA- 5.50 (# 5002:20 Unique 2.27, 3.64 A) &rst ixpk= 5002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2093,2094, igr2=2213,2214, &end # # 148 PHE HD 147 GLY HA- 5.50 (# 5004:20 Unique 5.10, 6.23 A) &rst ixpk= 5004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2233,2241, igr2=2220,2221, &end # # 0 AMB 20-2:5005 0 AMB 20-1:5005 5.50 (# 5005:20 Double Ambig) &rst ixpk= 5005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1757,1758,1759,1665,1666,1667,1669,1670,1671, igr2= 203,2227, &end # # 75 ILE HG1+ 148 PHE HB- 3.50 (# 5006:20 Unique 2.45, 3.22 A) &rst ixpk= 5006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1088,1089, igr2=2229,2230, &end # # 0 AMB 20-2:5007 0 AMB 20-1:5007 5.50 (# 5007:20 Double Ambig) &rst ixpk= 5007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1058,1059,1214,1215, 946, 947, igr2=2229,2230, 934, 935, 934, 935, &end # # 74 ARG HA 148 PHE HB+ 5.50 (# 5008:20 Unique 3.13, 4.20 A) &rst ixpk= 5008, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2229,2230, &end # # 74 ARG HA 148 PHE HB- 5.50 (# 5009:20 Unique 3.13, 4.20 A) &rst ixpk= 5009, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2229,2230, &end # # 75 ILE HA 148 PHE HB- 5.50 (# 5010:20 Unique 4.64, 4.88 A) &rst ixpk= 5010, nxpk= 20, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2229,2230, &end # # 75 ILE HB 149 ALA HA 5.50 (# 5012:20 Unique 4.60, 4.67 A) &rst ixpk= 5012, nxpk= 20, iat=1082,2247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:5013 151 LEU MDX 5.50 (# 5013:20 Single Ambig) &rst ixpk= 5013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1= 949, 950,1217,1218, igr2=2281,2282,2283,2285,2286,2287, &end # # 75 ILE HN 149 ALA MB 5.50 (# 5014:20 Unique 4.61, 5.29 A) &rst ixpk= 5014, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2249,2250,2251, &end # # 0 AMB 20-2:5017 0 AMB 20-1:5017 4.50 (# 5017:20 Double Ambig) &rst ixpk= 5017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1116,1097, igr2=2262,2263,2262,2263, &end # # 74 ARG HD- 151 LEU HA 5.50 (# 5018:20 Unique 2.27, 3.89 A) &rst ixpk= 5018, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1064,1065, &end # # 74 ARG HA 151 LEU HA 5.50 (# 5019:20 Unique 5.00, 5.39 A) &rst ixpk= 5019, nxpk= 20, iat=1056,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 ILE HN 151 LEU HA 5.50 (# 5020:20 Unique 5.16, 5.33 A) &rst ixpk= 5020, nxpk= 20, iat=1078,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 152 ALA HN 151 LEU HB- 5.50 (# 5021:20 Unique 3.79, 4.12 A) &rst ixpk= 5021, nxpk= 20, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 75 ILE HN 151 LEU HB- 5.50 (# 5022:20 Unique 4.40, 4.84 A) &rst ixpk= 5022, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 75 ILE HN 151 LEU HB+ 5.50 (# 5023:20 Unique 4.40, 4.84 A) &rst ixpk= 5023, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 0 AMB 20-2:5024 151 LEU HB- 5.50 (# 5024:20 Single Ambig) &rst ixpk= 5024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2257,1080, igr2=2276,2277, &end # # 151 LEU HA 151 LEU HB- 4.50 (# 5025:20 Unique 2.47, 2.77 A) &rst ixpk= 5025, nxpk= 20, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2276,2277, &end # # 76 ILE HA 151 LEU HB- 5.50 (# 5026:20 Unique 2.96, 3.66 A) &rst ixpk= 5026, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2276,2277, &end # # 150 GLN HG+ 151 LEU HB+ 5.50 (# 5027:20 Unique 4.90, 6.15 A) &rst ixpk= 5027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2262,2263, igr2=2276,2277, &end # # 74 ARG HD+ 151 LEU HB+ 5.50 (# 5028:20 Unique 3.55, 5.09 A) &rst ixpk= 5028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1064,1065, igr2=2276,2277, &end # # 0 AMB 20-2:5029 151 LEU HB- 5.50 (# 5029:20 Single Ambig) &rst ixpk= 5029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1217,1218,2262,2263, igr2=2276,2277, &end # # 74 ARG HB- 151 LEU HB+ 4.50 (# 5030:20 Unique 2.10, 3.20 A) &rst ixpk= 5030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1058,1059, igr2=2276,2277, &end # # 74 ARG HB- 151 LEU HB- 4.50 (# 5031:20 Unique 2.10, 3.20 A) &rst ixpk= 5031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1058,1059, igr2=2276,2277, &end # # 55 PRO HG- 53 LEU HB+ 5.50 (# 5032:20 Unique 2.26, 3.54 A) &rst ixpk= 5032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 773, 774, igr2= 730, 731, &end # # 0 AMB 20-2:5033 0 AMB 20-1:5033 4.50 (# 5033:20 Double Ambig) &rst ixpk= 5033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2272,1054, igr2=1107,1108,1107,1108, &end # # 151 LEU MDY 152 ALA HA 4.50 (# 5034:20 Unique 2.47, 5.16 A) &rst ixpk= 5034, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2281,2282,2283,2285,2286,2287, &end # # 0 AMB 20-2:5035 152 ALA HA 5.50 (# 5035:20 Single Ambig) &rst ixpk= 5035, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2305,2259,2260, &end # # 0 AMB 20-2:5037 152 ALA HA 4.50 (# 5037:20 Single Ambig) &rst ixpk= 5037, nxpk= 20, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2276,2277,2321,2322, &end # # 151 LEU HA 152 ALA HA 4.50 (# 5038:20 Unique 4.40, 4.44 A) &rst ixpk= 5038, nxpk= 20, iat=2274,2293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 28 ALA HA 28 ALA MB 2.80 (# 5039:20 Unique 2.43, 2.66 A) &rst ixpk= 5039, nxpk= 20, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 373, 374, 375, &end # # 154 GLU HA 152 ALA MB 5.50 (# 5040:20 Unique 4.05, 5.46 A) &rst ixpk= 5040, nxpk= 20, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=2295,2296,2297, &end # # 74 ARG HE 151 LEU HA 5.50 (# 5042:20 Unique 3.24, 3.95 A) &rst ixpk= 5042, nxpk= 20, iat=1067,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:5043 152 ALA MB 5.50 (# 5043:20 Single Ambig) &rst ixpk= 5043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2262,2263,1217,1218, igr2=2295,2296,2297, &end # # 80 ASP HB+ 152 ALA MB 5.50 (# 5044:20 Unique 5.37, 7.22 A) &rst ixpk= 5044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1158,1159, igr2=2295,2296,2297, &end # # 0 AMB 20-2:5045 153 VAL HA 5.50 (# 5045:20 Single Ambig) &rst ixpk= 5045, nxpk= 20, iat= -1,2303, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2339,2340,2339,2340, &end # # 52 GLU HG- 48 VAL MGX 3.50 (# 5047:20 Unique 2.54, 5.27 A) &rst ixpk= 5047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 718, 719, igr2= 648, 649, 650, 652, 653, 654, &end # # 155 GLU HN 155 GLU HA 3.50 (# 5049:20 Unique 2.91, 2.94 A) &rst ixpk= 5049, nxpk= 20, iat=2332,2334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:5050 0 AMB 20-1:5050 2.80 (# 5050:20 Double Ambig) &rst ixpk= 5050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, igr1=2281,2282,2283,2285,2286,2287, 648, 649, 650, 652, 653, 654, igr2= 949, 950, 646, &end # # 153 VAL HN 0 AMB 20-1:5051 5.50 (# 5051:20 Single Ambig) &rst ixpk= 5051, nxpk= 20, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr2=2324,2325,2324,2325,2339,2340,2339,2340, &end # # 25 LYS HN 24 GLU HG+ 5.50 (# 5052:20 Unique 3.20, 3.81 A) &rst ixpk= 5052, nxpk= 20, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 318, 319, &end # # 0 AMB 20-2:5054 72 GLU HA 5.50 (# 5054:20 Single Ambig) &rst ixpk= 5054, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 989, 990, 989, 990, &end # # 71 GLY HA- 72 GLU HA 5.50 (# 5055:20 Unique 4.62, 4.72 A) &rst ixpk= 5055, nxpk= 20, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1015,1016, &end # # 0 AMB 20-2:5056 0 AMB 20-1:5056 2.80 (# 5056:20 Double Ambig) &rst ixpk= 5056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1=2093,2094,2093,2094, igr2=2090,2091,2090,2091, &end # # 150 GLN HG+ 150 GLN HB+ 2.80 (# 5057:20 Unique 2.23, 2.62 A) &rst ixpk= 5057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2262,2263, igr2=2259,2260, &end # # 0 AMB 20-2:5059 36 VAL MGX 2.80 (# 5059:20 Single Ambig) &rst ixpk= 5059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 488, 399, igr2= 492, 493, 494, 496, 497, 498, &end # # 128 ILE HA 115 PRO HA 5.50 (# 5061:20 Unique 5.31, 5.43 A) &rst ixpk= 5061, nxpk= 20, iat=1926,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 ASP HB- 115 PRO HA 4.50 (# 5062:20 Unique 2.51, 2.97 A) &rst ixpk= 5062, nxpk= 20, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 205, 206, &end # # 0 AMB 20-2:5063 75 ILE HB 5.50 (# 5063:20 Single Ambig) &rst ixpk= 5063, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2201,2202,2229,2230, &end # # 75 ILE HG1- 75 ILE HB 4.50 (# 5064:20 Unique 2.28, 2.40 A) &rst ixpk= 5064, nxpk= 20, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1088,1089, &end # # 72 GLU HN 114 GLN HA 5.50 (# 5066:20 Unique 4.63, 4.74 A) &rst ixpk= 5066, nxpk= 20, iat=1020,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 VAL HN 61 VAL HB 3.50 (# 5067:20 Unique 2.81, 2.86 A) &rst ixpk= 5067, nxpk= 20, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 VAL HN 61 VAL HB 5.50 (# 5068:20 Unique 3.64, 3.79 A) &rst ixpk= 5068, nxpk= 20, iat= 112, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 76 ILE HN 109 ILE QG2 5.50 (# 5069:20 Unique 3.75, 4.60 A) &rst ixpk= 5069, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1623,1624,1625, &end # # 150 GLN HG+ 109 ILE QG2 5.50 (# 5070:20 Unique 5.54, 6.93 A) &rst ixpk= 5070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2262,2263, igr2=1623,1624,1625, &end # # 8 VAL HA 19 GLY HA+ 5.50 (# 5071:20 Unique 3.87, 4.94 A) &rst ixpk= 5071, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 244, 245, &end # # 107 GLU HG+ 107 GLU HA 3.50 (# 5072:20 Unique 2.31, 3.19 A) &rst ixpk= 5072, nxpk= 20, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1593,1594, &end # # 116 ASP HB+ 70 PRO HB- 5.50 (# 5073:20 Unique 2.11, 3.34 A) &rst ixpk= 5073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1736,1737, igr2=1006,1007, &end # # 99 ASP HN 98 ILE QD1 5.50 (# 5074:20 Unique 4.90, 5.81 A) &rst ixpk= 5074, nxpk= 20, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1457,1458,1459, &end # # 105 ILE HB 105 ILE HA 4.50 (# 5075:20 Unique 3.03, 3.04 A) &rst ixpk= 5075, nxpk= 20, iat=1564,1562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 MET HN 86 MET HB- 4.50 (# 5077:20 Unique 2.35, 3.33 A) &rst ixpk= 5077, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1251,1252, &end # # 86 MET HA 86 MET HB- 3.50 (# 5078:20 Unique 2.26, 2.41 A) &rst ixpk= 5078, nxpk= 20, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1251,1252, &end # # 50 ILE HA 4 VAL MGX 5.50 (# 5079:20 Unique 2.94, 4.60 A) &rst ixpk= 5079, nxpk= 20, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 53, 54, 55, 57, 58, 59, &end # # 59 LEU MDX 109 ILE HB 5.50 (# 5080:20 Unique 2.22, 4.38 A) &rst ixpk= 5080, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 0 AMB 20-2:5081 109 ILE HB 4.50 (# 5081:20 Single Ambig) &rst ixpk= 5081, nxpk= 20, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1607,1608,1609,1611,1612,1613,1607,1608,1609,1611, 1612,1613, 830, 831, 832, 834, 835, 836, &end # # 0 AMB 20-2:5082 0 AMB 20-1:5082 3.50 (# 5082:20 Double Ambig) &rst ixpk= 5082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1593,1594, 586, 587, igr2=1627,1628,1432, &end # # 78 PRO HD- 109 ILE QG2 5.50 (# 5083:20 Unique 5.17, 7.27 A) &rst ixpk= 5083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1129,1130, igr2=1623,1624,1625, &end # # 97 LEU MDX 97 LEU HA 3.50 (# 5084:20 Unique 2.62, 4.26 A) &rst ixpk= 5084, nxpk= 20, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1434,1435,1436,1438,1439,1440, &end # # 137 GLN HG- 137 GLN HA 3.50 (# 5085:20 Unique 3.07, 3.78 A) &rst ixpk= 5085, nxpk= 20, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2076,2077, &end # # 129 LYS HB- 129 LYS HD- 3.50 (# 5086:20 Unique 2.27, 2.91 A) &rst ixpk= 5086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1947,1948, igr2=1953,1954, &end # # 0 AMB 20-2:5087 64 THR MG2 4.50 (# 5087:20 Single Ambig) &rst ixpk= 5087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 934, 935,1330,1331, igr2= 922, 923, 924, &end # # 124 MET HG- 128 ILE QG2 3.50 (# 5089:20 Unique 2.66, 3.65 A) &rst ixpk= 5089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1869,1870, igr2=1930,1931,1932, &end # # 124 MET HG+ 128 ILE QG2 3.50 (# 5090:20 Unique 2.66, 3.65 A) &rst ixpk= 5090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1869,1870, igr2=1930,1931,1932, &end # # 114 GLN HE2+ 114 GLN HG+ 4.50 (# 5091:20 Unique 2.23, 3.28 A) &rst ixpk= 5091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1713,1714, igr2=1708,1709, &end # # 0 AMB 20-2:5093 8 VAL HB 5.50 (# 5093:20 Single Ambig) &rst ixpk= 5093, nxpk= 20, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 896, 861, &end # # 51 ARG HA 50 ILE QG2 4.50 (# 5094:20 Unique 3.51, 4.72 A) &rst ixpk= 5094, nxpk= 20, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 674, 675, 676, &end # # 55 PRO HA 50 ILE QG2 5.50 (# 5095:20 Unique 6.00, 6.65 A) &rst ixpk= 5095, nxpk= 20, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 674, 675, 676, &end # # 135 VAL MGY 113 ILE QD1 2.80 (# 5096:20 Unique 2.21, 5.00 A) &rst ixpk= 5096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1=2038,2039,2040,2042,2043,2044, igr2=1695,1696,1697, &end # # 0 AMB 20-2:5097 50 ILE QD1 5.50 (# 5097:20 Single Ambig) &rst ixpk= 5097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 584, 770, 771, 660, igr2= 681, 682, 683, &end # # 97 LEU HG 50 ILE QD1 4.50 (# 5099:20 Unique 4.80, 5.37 A) &rst ixpk= 5099, nxpk= 20, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 681, 682, 683, &end # # 0 AMB 20-2:5100 50 ILE QD1 4.50 (# 5100:20 Single Ambig) &rst ixpk= 5100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 89, 512, 513, igr2= 681, 682, 683, &end # # 81 ILE QD1 78 PRO HB- 5.50 (# 5101:20 Unique 2.81, 4.97 A) &rst ixpk= 5101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1179,1180,1181, igr2=1135,1136, &end # # 98 ILE QD1 78 PRO HB- 3.50 (# 5102:20 Unique 2.41, 4.70 A) &rst ixpk= 5102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1457,1458,1459, igr2=1135,1136, &end # # 127 PRO HD- 129 LYS HD- 5.50 (# 5103:20 Unique 6.49, 7.22 A) &rst ixpk= 5103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1911,1912, igr2=1953,1954, &end # # 0 AMB 20-2:5104 0 AMB 20-1:5104 4.50 (# 5104:20 Double Ambig) &rst ixpk= 5104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1956,1957,1869,1870, igr2=1953,1954,1953,1954, &end # # 0 AMB 20-2:5105 50 ILE QD1 4.50 (# 5105:20 Single Ambig) &rst ixpk= 5105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1=1496,1497, 506, 773, 774, igr2= 681, 682, 683, &end # # 81 ILE HG1- 81 ILE HB 3.50 (# 5106:20 Unique 2.42, 2.75 A) &rst ixpk= 5106, nxpk= 20, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1176,1177, &end # # 0 AMB 20-2:5107 0 AMB 20-1:5107 3.50 (# 5107:20 Double Ambig) &rst ixpk= 5107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, igr1=2281,2282,2283,2285,2286,2287, 291, 292, 293, 295, 296, 297, 975, 976, 977, 979, 980, 981, igr2= 949, 950,2036, &end # # 66 MET HN 66 MET HG- 5.50 (# 5109:20 Unique 2.76, 3.51 A) &rst ixpk= 5109, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 949, 950, &end # # 0 AMB 20-2:5110 0 AMB 20-1:5110 5.50 (# 5110:20 Double Ambig) &rst ixpk= 5110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 959,2291, igr2= 949, 950, 949, 950, &end # # 138 ARG HD- 138 ARG HG+ 4.50 (# 5111:20 Unique 2.24, 2.62 A) &rst ixpk= 5111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2096,2097, igr2=2093,2094, &end # # 4 VAL HA 2 THR MG2 5.50 (# 5112:20 Unique 4.05, 5.55 A) &rst ixpk= 5112, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 27, 28, 29, &end # # 66 MET HN 67 GLY HA- 5.50 (# 5113:20 Unique 4.12, 4.44 A) &rst ixpk= 5113, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 961, 962, &end # # 66 MET HN 67 GLY HA+ 5.50 (# 5114:20 Unique 4.12, 4.44 A) &rst ixpk= 5114, nxpk= 20, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 961, 962, &end # # 8 VAL HB 62 ASP HA 4.50 (# 5115:20 Unique 3.91, 4.05 A) &rst ixpk= 5115, nxpk= 20, iat= 116, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 20-2:5116 0 AMB 20-1:5116 3.50 (# 5116:20 Double Ambig) &rst ixpk= 5116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 284, 328, igr2= 339, 340, 339, 340, 339, 340, &end # # 8 VAL MGY 62 ASP HB- 4.50 (# 5117:20 Unique 2.64, 4.83 A) &rst ixpk= 5117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 118, 119, 120, 122, 123, 124, igr2= 898, 899, &end # # 8 VAL MGX 62 ASP HA 4.50 (# 5118:20 Unique 4.78, 6.12 A) &rst ixpk= 5118, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 118, 119, 120, 122, 123, 124, &end # # 61 VAL MGX 62 ASP HA 4.50 (# 5119:20 Unique 3.17, 5.44 A) &rst ixpk= 5119, nxpk= 20, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 884, 885, 886, 888, 889, 890, &end # # 63 ALA MB 115 PRO HD- 5.50 (# 5120:20 Unique 2.34, 4.35 A) &rst ixpk= 5120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 910, 911, 912, igr2=1719,1720, &end # # 113 ILE HG1+ 131 ALA MB 2.80 (# 5121:20 Unique 2.63, 4.59 A) &rst ixpk= 5121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1692,1693, igr2=1981,1982,1983, &end # # 78 PRO HA 81 ILE QG2 3.50 (# 5122:20 Unique 3.37, 4.32 A) &rst ixpk= 5122, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1172,1173,1174, &end # # 0 AMB 20-2:5124 151 LEU HA 5.50 (# 5124:20 Single Ambig) &rst ixpk= 5124, nxpk= 20, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2257,1080, &end # # 137 GLN HA 31 LYS HD- 5.50 (# 5125:20 Unique 2.72, 4.11 A) &rst ixpk= 5125, nxpk= 20, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 413, 414, &end # # 140 GLU HB+ 31 LYS HD- 4.50 (# 5126:20 Unique 2.42, 4.51 A) &rst ixpk= 5126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2133,2134, igr2= 413, 414, &end # # 0 AMB 20-2:5127 0 AMB 20-1:5127 5.50 (# 5127:20 Double Ambig) &rst ixpk= 5127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1=2119,2120,2121,2123,2124,2125, 330, 331, igr2= 416, 417, 416, 417, &end # # 0 AMB 20-2:5128 31 LYS HE- 5.50 (# 5128:20 Single Ambig) &rst ixpk= 5128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2119,2120,2121,2123,2124,2125, 330, 331, igr2= 416, 417, &end # # 0 AMB 20-2:5129 0 AMB 20-1:5129 5.50 (# 5129:20 Double Ambig) &rst ixpk= 5129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, igr1= 446,1412,1421,2056,2065, igr2=2114,2115,1429,1430,2114,2115, &end # # 0 AMB 20-2:5130 139 LEU HB- 5.50 (# 5130:20 Single Ambig) &rst ixpk= 5130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 446,2056,2065, igr2=2114,2115, &end # # 136 TYR HA 5 LEU MDX 5.50 (# 5131:20 Unique 4.51, 6.32 A) &rst ixpk= 5131, nxpk= 20, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2= 72, 73, 74, 76, 77, 78, &end # # 142 TRP HE1 109 ILE HG1+ 5.50 (# 5132:20 Unique 2.50, 4.59 A) &rst ixpk= 5132, nxpk= 20, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1627,1628, &end # # 0 AMB 20-2:5133 0 AMB 20-1:5133 5.50 (# 5133:20 Double Ambig) &rst ixpk= 5133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 37, 799, igr2= 773, 774, 773, 774, &end # # 3 ASP HA 55 PRO HG- 5.50 (# 5134:20 Unique 4.86, 6.03 A) &rst ixpk= 5134, nxpk= 20, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 773, 774, &end # # 0 AMB 20-2:5135 75 ILE QG2 5.50 (# 5135:20 Single Ambig) &rst ixpk= 5135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2255,2197, igr2=1084,1085,1086, &end # # 0 AMB 60-2:1 96 TYR HD 3.50 (# 1:60 Single Ambig) &rst ixpk= 1, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr1=1361,1362,1361,1362,1482,1483, igr2=1412,1421, &end # # 0 AMB 60-2:2 96 TYR HD 2.80 (# 2:60 Single Ambig) &rst ixpk= 2, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1408,1409,1408,1409, igr2=1412,1421, &end # # 96 TYR HE 96 TYR HD 2.80 (# 4:60 Unique 2.46, 3.72 A) &rst ixpk= 4, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1414,1419, igr2=1412,1421, &end # # 122 TYR HA 122 TYR HD 4.50 (# 7:60 Unique 2.18, 3.48 A) &rst ixpk= 7, nxpk= 60, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1835,1844, &end # # 122 TYR HB+ 122 TYR HD 4.50 (# 8:60 Unique 2.30, 3.11 A) &rst ixpk= 8, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1831,1832, igr2=1835,1844, &end # # 122 TYR HB- 122 TYR HD 5.50 (# 9:60 Unique 2.30, 3.11 A) &rst ixpk= 9, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1831,1832, igr2=1835,1844, &end # # 123 PRO HD- 122 TYR HD 5.50 (# 10:60 Unique 2.46, 4.77 A) &rst ixpk= 10, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1849,1850, igr2=1835,1844, &end # # 121 TYR HB- 121 TYR HD 4.50 (# 12:60 Unique 2.37, 3.08 A) &rst ixpk= 12, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1810,1811, igr2=1814,1823, &end # # 121 TYR HB+ 121 TYR HD 5.50 (# 13:60 Unique 2.37, 3.08 A) &rst ixpk= 13, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1810,1811, igr2=1814,1823, &end # # 0 AMB 60-2:15 96 TYR HD 4.50 (# 15:60 Single Ambig) &rst ixpk= 15, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1358,1359,1427, igr2=1412,1421, &end # # 120 PHE HN 122 TYR HD 5.50 (# 17:60 Unique 3.53, 5.62 A) &rst ixpk= 17, nxpk= 60, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1835,1844, &end # # 118 VAL HN 122 TYR HD 5.50 (# 18:60 Unique 3.12, 6.20 A) &rst ixpk= 18, nxpk= 60, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1835,1844, &end # # 139 LEU MDY 34 TRP HD1 5.50 (# 36:60 Unique 2.06, 4.15 A) &rst ixpk= 36, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU MDX 34 TRP HD1 5.50 (# 37:60 Unique 2.06, 4.15 A) &rst ixpk= 37, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2119,2120,2121,2123,2124,2125, &end # # 139 LEU HB- 34 TRP HD1 4.50 (# 38:60 Unique 2.06, 3.51 A) &rst ixpk= 38, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2114,2115, &end # # 34 TRP HB- 34 TRP HD1 4.50 (# 40:60 Unique 2.39, 3.11 A) &rst ixpk= 40, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 450, 451, &end # # 0 AMB 60-2:41 34 TRP HD1 4.50 (# 41:60 Single Ambig) &rst ixpk= 41, nxpk= 60, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 427, 428, 427, 428, &end # # 34 TRP HN 34 TRP HD1 3.50 (# 42:60 Unique 2.11, 2.98 A) &rst ixpk= 42, nxpk= 60, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HE1 34 TRP HD1 2.80 (# 43:60 Unique 2.49, 2.53 A) &rst ixpk= 43, nxpk= 60, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 60-2:44 142 TRP HD1 5.50 (# 44:60 Single Ambig) &rst ixpk= 44, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2192,2193,2192,2193, &end # # 142 TRP HB- 142 TRP HD1 4.50 (# 45:60 Unique 2.47, 3.32 A) &rst ixpk= 45, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 0 AMB 60-2:48 142 TRP HD1 5.50 (# 48:60 Single Ambig) &rst ixpk= 48, nxpk= 60, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1623,1624,1625,1630,1631,1632,1660,1661, &end # # 142 TRP HE1 142 TRP HD1 2.80 (# 50:60 Unique 2.52, 2.54 A) &rst ixpk= 50, nxpk= 60, iat=2161,2159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 34 TRP HZ2 34 TRP HH2 2.80 (# 53:60 Unique 2.49, 2.50 A) &rst ixpk= 53, nxpk= 60, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 142 TRP HB- 34 TRP HZ2 3.50 (# 61:60 Unique 2.35, 4.93 A) &rst ixpk= 61, nxpk= 60, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2155,2156, &end # # 142 TRP HB+ 34 TRP HZ2 4.50 (# 62:60 Unique 2.35, 4.93 A) &rst ixpk= 62, nxpk= 60, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2155,2156, &end # # 34 TRP HH2 34 TRP HZ2 3.50 (# 63:60 Unique 2.49, 2.50 A) &rst ixpk= 63, nxpk= 60, iat= 461, 459, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 TRP HE1 34 TRP HZ2 4.50 (# 64:60 Unique 2.88, 2.91 A) &rst ixpk= 64, nxpk= 60, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 109 ILE QG2 142 TRP HZ2 3.50 (# 65:60 Unique 2.12, 4.70 A) &rst ixpk= 65, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1623,1624,1625, &end # # 142 TRP HE1 142 TRP HZ2 4.50 (# 66:60 Unique 2.86, 2.90 A) &rst ixpk= 66, nxpk= 60, iat=2161,2164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 LEU MDX 96 TYR HD 5.50 (# 68:60 Unique 3.36, 7.43 A) &rst ixpk= 68, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1380,1381,1382,1384,1385,1386, igr2=1412,1421, &end # # 94 LEU HB- 96 TYR HD 5.50 (# 70:60 Unique 4.82, 7.14 A) &rst ixpk= 70, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1375,1376, igr2=1412,1421, &end # # 97 LEU HG 96 TYR HD 5.50 (# 71:60 Unique 6.31, 7.21 A) &rst ixpk= 71, nxpk= 60, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1412,1421, &end # # 0 AMB 60-2:77 96 TYR HD 4.50 (# 77:60 Single Ambig) &rst ixpk= 77, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1371,1463, igr2=1412,1421, &end # # 121 TYR HN 121 TYR HD 5.50 (# 82:60 Unique 3.35, 4.55 A) &rst ixpk= 82, nxpk= 60, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1814,1823, &end # # 59 LEU MDY 142 TRP HZ2 5.50 (# 101:60 Unique 2.48, 4.89 A) &rst ixpk= 101, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 849, 850, 851, 853, 854, 855, &end # # 59 LEU HB- 142 TRP HZ2 4.50 (# 102:60 Unique 2.46, 4.40 A) &rst ixpk= 102, nxpk= 60, iat= -1,2164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 844, 845, &end # # 148 PHE HB- 148 PHE HD 5.50 (# 117:60 Unique 2.42, 3.11 A) &rst ixpk= 117, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2229,2230, igr2=2233,2241, &end # # 148 PHE HB+ 148 PHE HD 4.50 (# 118:60 Unique 2.42, 3.11 A) &rst ixpk= 118, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2229,2230, igr2=2233,2241, &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 = 50., rk3=50., &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 CG2 OG1 HB &rst iat=22,26,30,25, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=20,32,23,24, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=36,41,39,40, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=34,44,37,38, &end # # chirality for residue 4 atoms: CA CG1 CG2 HB &rst iat=48,52,56,51, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=46,60,49,50, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=64,69,67,68, &end # # chirality for residue 5 atoms: CB CD1 CD2 HG &rst iat=66,71,75,70, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=62,79,65,66, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=83,88,86,87, &end # # chirality for residue 6 atoms: CB CD1 CD2 HG &rst iat=85,90,94,89, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=81,98,84,85, &end # # chirality for residue 7 atoms: CA SG HB2 HB3 &rst iat=102,107,105,106, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=100,109,103,104, &end # # chirality for residue 8 atoms: CA CG1 CG2 HB &rst iat=113,117,121,116, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=111,125,114,115, &end # # chirality for residue 9 atoms: N C HA2 HA3 &rst iat=127,132,130,131, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=136,141,139,140, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=134,146,137,138, &end # # chirality for residue 11 atoms: CA OG HB2 HB3 &rst iat=150,155,153,154, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=148,157,151,152, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=161,166,164,165, &end # # chirality for residue 12 atoms: CB SD HG2 HG3 &rst iat=163,169,167,168, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=159,174,162,163, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=178,183,181,182, &end # # chirality for residue 13 atoms: CB SD HG2 HG3 &rst iat=180,186,184,185, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=176,191,179,180, &end # # chirality for residue 14 atoms: N C HA2 HA3 &rst iat=193,198,196,197, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=202,207,205,206, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=200,210,203,204, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=214,219,217,218, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=212,222,215,216, &end # # chirality for residue 17 atoms: N C HA2 HA3 &rst iat=224,229,227,228, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=231,239,234,235, &end # # chirality for residue 19 atoms: N C HA2 HA3 &rst iat=241,246,244,245, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=258,252,256,257, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=255,249,253,254, &end # # chirality for residue 20 atoms: CG N HD2 HD3 &rst iat=252,248,250,251, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=248,260,259,255, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=264,269,267,268, &end # # chirality for residue 21 atoms: CB CD1 CD2 HG &rst iat=266,271,275,270, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=262,279,265,266, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=283,288,286,287, &end # # chirality for residue 22 atoms: CB CD1 CD2 HG &rst iat=285,290,294,289, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=281,298,284,285, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=300,308,303,304, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=312,317,315,316, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=314,320,318,319, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=310,323,313,314, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=327,332,330,331, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=329,335,333,334, &end # # chirality for residue 25 atoms: CD NZ HE2 HE3 &rst iat=335,341,339,340, &end # # chirality for residue 25 atoms: CG CE HD2 HD3 &rst iat=332,338,336,337, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=325,345,328,329, &end # # chirality for residue 26 atoms: CA SG HB2 HB3 &rst iat=349,354,352,353, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=347,356,350,351, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=358,366,361,362, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=368,376,371,372, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=378,386,381,382, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=398,392,396,397, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=395,389,393,394, &end # # chirality for residue 30 atoms: CG N HD2 HD3 &rst iat=392,388,390,391, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=388,400,399,395, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=404,409,407,408, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=406,412,410,411, &end # # chirality for residue 31 atoms: CD NZ HE2 HE3 &rst iat=412,418,416,417, &end # # chirality for residue 31 atoms: CG CE HD2 HD3 &rst iat=409,415,413,414, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=402,422,405,406, &end # # chirality for residue 32 atoms: N C HA2 HA3 &rst iat=424,429,427,428, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=433,438,436,437, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=431,443,434,435, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=447,452,450,451, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=445,467,448,449, &end # # chirality for residue 35 atoms: CA CG1 CG2 HB &rst iat=471,475,479,474, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=469,483,472,473, &end # # chirality for residue 36 atoms: CA CG1 CG2 HB &rst iat=487,491,495,490, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=485,499,488,489, &end # # chirality for residue 37 atoms: CA CG2 CG1 HB &rst iat=503,507,511,506, &end # # chirality for residue 37 atoms: CB CD1 HG12 HG13 &rst iat=505,514,512,513, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=501,518,504,505, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=522,527,525,526, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=520,530,523,524, &end # # chirality for residue 39 atoms: N C HA2 HA3 &rst iat=532,537,535,536, &end # # chirality for residue 40 atoms: N C HA2 HA3 &rst iat=539,544,542,543, &end # # chirality for residue 41 atoms: CA OG HB2 HB3 &rst iat=548,553,551,552, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=546,555,549,550, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=557,565,560,561, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=577,571,575,576, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=574,568,572,573, &end # # chirality for residue 43 atoms: CG N HD2 HD3 &rst iat=571,567,569,570, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=567,579,578,574, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=583,588,586,587, &end # # chirality for residue 44 atoms: CB CD HG2 HG3 &rst iat=585,591,589,590, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=581,594,584,585, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=598,603,601,602, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=596,608,599,600, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=612,617,615,616, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=610,620,613,614, &end # # chirality for residue 47 atoms: CA CG2 CG1 HB &rst iat=624,628,632,627, &end # # chirality for residue 47 atoms: CB CD1 HG12 HG13 &rst iat=626,635,633,634, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=622,639,625,626, &end # # chirality for residue 48 atoms: CA CG1 CG2 HB &rst iat=643,647,651,646, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=641,655,644,645, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=657,665,660,661, &end # # chirality for residue 50 atoms: CA CG2 CG1 HB &rst iat=669,673,677,672, &end # # chirality for residue 50 atoms: CB CD1 HG12 HG13 &rst iat=671,680,678,679, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=667,684,670,671, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=688,693,691,692, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=690,696,694,695, &end # # chirality for residue 51 atoms: CG NE HD2 HD3 &rst iat=693,699,697,698, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=686,708,689,690, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=712,717,715,716, &end # # chirality for residue 52 atoms: CB CD HG2 HG3 &rst iat=714,720,718,719, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=710,723,713,714, &end # # chirality for residue 53 atoms: CA CG HB2 HB3 &rst iat=727,732,730,731, &end # # chirality for residue 53 atoms: CB CD1 CD2 HG &rst iat=729,734,738,733, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=725,742,728,729, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=746,751,749,750, &end # # chirality for residue 54 atoms: CB CD HG2 HG3 &rst iat=748,754,752,753, &end # # chirality for residue 54 atoms: CG NE HD2 HD3 &rst iat=751,757,755,756, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=744,766,747,748, &end # # chirality for residue 55 atoms: CA CG HB2 HB3 &rst iat=778,772,776,777, &end # # chirality for residue 55 atoms: CB CD HG2 HG3 &rst iat=775,769,773,774, &end # # chirality for residue 55 atoms: CG N HD2 HD3 &rst iat=772,768,770,771, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=768,780,779,775, &end # # chirality for residue 56 atoms: CA CG2 OG1 HB &rst iat=784,788,792,787, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=782,794,785,786, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=798,803,801,802, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=800,806,804,805, &end # # chirality for residue 57 atoms: CG NE HD2 HD3 &rst iat=803,809,807,808, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=796,818,799,800, &end # # chirality for residue 58 atoms: CA CG HB2 HB3 &rst iat=822,827,825,826, &end # # chirality for residue 58 atoms: CB CD1 CD2 HG &rst iat=824,829,833,828, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=820,837,823,824, &end # # chirality for residue 59 atoms: CA CG HB2 HB3 &rst iat=841,846,844,845, &end # # chirality for residue 59 atoms: CB CD1 CD2 HG &rst iat=843,848,852,847, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=839,856,842,843, &end # # chirality for residue 60 atoms: CA CG2 CG1 HB &rst iat=860,864,868,863, &end # # chirality for residue 60 atoms: CB CD1 HG12 HG13 &rst iat=862,871,869,870, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=858,875,861,862, &end # # chirality for residue 61 atoms: CA CG1 CG2 HB &rst iat=879,883,887,882, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=877,891,880,881, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=895,900,898,899, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=893,903,896,897, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=905,913,908,909, &end # # chirality for residue 64 atoms: CA CG2 OG1 HB &rst iat=917,921,925,920, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=915,927,918,919, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=931,936,934,935, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=929,939,932,933, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=943,948,946,947, &end # # chirality for residue 66 atoms: CB SD HG2 HG3 &rst iat=945,951,949,950, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=941,956,944,945, &end # # chirality for residue 67 atoms: N C HA2 HA3 &rst iat=958,963,961,962, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=967,972,970,971, &end # # chirality for residue 68 atoms: CB CD1 CD2 HG &rst iat=969,974,978,973, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=965,982,968,969, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=986,991,989,990, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=984,996,987,988, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1008,1002,1006,1007, &end # # chirality for residue 70 atoms: CB CD HG2 HG3 &rst iat=1005,999,1003,1004, &end # # chirality for residue 70 atoms: CG N HD2 HD3 &rst iat=1002,998,1000,1001, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=998,1010,1009,1005, &end # # chirality for residue 71 atoms: N C HA2 HA3 &rst iat=1012,1017,1015,1016, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1021,1026,1024,1025, &end # # chirality for residue 72 atoms: CB CD HG2 HG3 &rst iat=1023,1029,1027,1028, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1019,1032,1022,1023, &end # # chirality for residue 73 atoms: CA CG2 CG1 HB &rst iat=1036,1040,1044,1039, &end # # chirality for residue 73 atoms: CB CD1 HG12 HG13 &rst iat=1038,1047,1045,1046, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1034,1051,1037,1038, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1055,1060,1058,1059, &end # # chirality for residue 74 atoms: CB CD HG2 HG3 &rst iat=1057,1063,1061,1062, &end # # chirality for residue 74 atoms: CG NE HD2 HD3 &rst iat=1060,1066,1064,1065, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1053,1075,1056,1057, &end # # chirality for residue 75 atoms: CA CG2 CG1 HB &rst iat=1079,1083,1087,1082, &end # # chirality for residue 75 atoms: CB CD1 HG12 HG13 &rst iat=1081,1090,1088,1089, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1077,1094,1080,1081, &end # # chirality for residue 76 atoms: CA CG2 CG1 HB &rst iat=1098,1102,1106,1101, &end # # chirality for residue 76 atoms: CB CD1 HG12 HG13 &rst iat=1100,1109,1107,1108, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1096,1113,1099,1100, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1117,1122,1120,1121, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1115,1125,1118,1119, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1137,1131,1135,1136, &end # # chirality for residue 78 atoms: CB CD HG2 HG3 &rst iat=1134,1128,1132,1133, &end # # chirality for residue 78 atoms: CG N HD2 HD3 &rst iat=1131,1127,1129,1130, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1127,1139,1138,1134, &end # # chirality for residue 79 atoms: CA CG HB2 HB3 &rst iat=1143,1148,1146,1147, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1141,1151,1144,1145, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1155,1160,1158,1159, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1153,1163,1156,1157, &end # # chirality for residue 81 atoms: CA CG2 CG1 HB &rst iat=1167,1171,1175,1170, &end # # chirality for residue 81 atoms: CB CD1 HG12 HG13 &rst iat=1169,1178,1176,1177, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1165,1182,1168,1169, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1184,1192,1187,1188, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1196,1201,1199,1200, &end # # chirality for residue 83 atoms: CB CD HG2 HG3 &rst iat=1198,1204,1202,1203, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1194,1207,1197,1198, &end # # chirality for residue 84 atoms: CA CG HB2 HB3 &rst iat=1211,1216,1214,1215, &end # # chirality for residue 84 atoms: CB SD HG2 HG3 &rst iat=1213,1219,1217,1218, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1209,1224,1212,1213, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1228,1233,1231,1232, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1226,1244,1229,1230, &end # # chirality for residue 86 atoms: CA CG HB2 HB3 &rst iat=1248,1253,1251,1252, &end # # chirality for residue 86 atoms: CB SD HG2 HG3 &rst iat=1250,1256,1254,1255, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1246,1261,1249,1250, &end # # chirality for residue 87 atoms: CA CG HB2 HB3 &rst iat=1265,1270,1268,1269, &end # # chirality for residue 87 atoms: CB SD HG2 HG3 &rst iat=1267,1273,1271,1272, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1263,1278,1266,1267, &end # # chirality for residue 88 atoms: CA CG2 OG1 HB &rst iat=1282,1286,1290,1285, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1280,1292,1283,1284, &end # # chirality for residue 89 atoms: CA CG2 OG1 HB &rst iat=1296,1300,1304,1299, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1294,1306,1297,1298, &end # # chirality for residue 90 atoms: CA CG HB2 HB3 &rst iat=1310,1315,1313,1314, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1308,1323,1311,1312, &end # # chirality for residue 91 atoms: CA CG HB2 HB3 &rst iat=1327,1332,1330,1331, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1325,1337,1328,1329, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1341,1346,1344,1345, &end # # chirality for residue 92 atoms: CB SD HG2 HG3 &rst iat=1343,1349,1347,1348, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1339,1354,1342,1343, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1366,1360,1364,1365, &end # # chirality for residue 93 atoms: CB CD HG2 HG3 &rst iat=1363,1357,1361,1362, &end # # chirality for residue 93 atoms: CG N HD2 HD3 &rst iat=1360,1356,1358,1359, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1356,1368,1367,1363, &end # # chirality for residue 94 atoms: CA CG HB2 HB3 &rst iat=1372,1377,1375,1376, &end # # chirality for residue 94 atoms: CB CD1 CD2 HG &rst iat=1374,1379,1383,1378, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1370,1387,1373,1374, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1391,1396,1394,1395, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1389,1401,1392,1393, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1405,1410,1408,1409, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1403,1422,1406,1407, &end # # chirality for residue 97 atoms: CA CG HB2 HB3 &rst iat=1426,1431,1429,1430, &end # # chirality for residue 97 atoms: CB CD1 CD2 HG &rst iat=1428,1433,1437,1432, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1424,1441,1427,1428, &end # # chirality for residue 98 atoms: CA CG2 CG1 HB &rst iat=1445,1449,1453,1448, &end # # chirality for residue 98 atoms: CB CD1 HG12 HG13 &rst iat=1447,1456,1454,1455, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1443,1460,1446,1447, &end # # chirality for residue 99 atoms: CA CG HB2 HB3 &rst iat=1464,1469,1467,1468, &end # # chirality for residue 99 atoms: N C HA CB &rst iat=1462,1472,1465,1466, &end # # chirality for residue 100 atoms: CA CG HB2 HB3 &rst iat=1476,1481,1479,1480, &end # # chirality for residue 100 atoms: CB CD HG2 HG3 &rst iat=1478,1484,1482,1483, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1474,1489,1477,1478, &end # # chirality for residue 101 atoms: CA CG HB2 HB3 &rst iat=1493,1498,1496,1497, &end # # chirality for residue 101 atoms: CB CD1 CD2 HG &rst iat=1495,1500,1504,1499, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1491,1508,1494,1495, &end # # chirality for residue 102 atoms: CA CG HB2 HB3 &rst iat=1512,1517,1515,1516, &end # # chirality for residue 102 atoms: CB CD HG2 HG3 &rst iat=1514,1520,1518,1519, &end # # chirality for residue 102 atoms: CD NZ HE2 HE3 &rst iat=1520,1526,1524,1525, &end # # chirality for residue 102 atoms: CG CE HD2 HD3 &rst iat=1517,1523,1521,1522, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1510,1530,1513,1514, &end # # chirality for residue 103 atoms: CA CG HB2 HB3 &rst iat=1534,1539,1537,1538, &end # # chirality for residue 103 atoms: CB CD HG2 HG3 &rst iat=1536,1542,1540,1541, &end # # chirality for residue 103 atoms: N C HA CB &rst iat=1532,1545,1535,1536, &end # # chirality for residue 104 atoms: CA CG HB2 HB3 &rst iat=1549,1554,1552,1553, &end # # chirality for residue 104 atoms: N C HA CB &rst iat=1547,1557,1550,1551, &end # # chirality for residue 105 atoms: CA CG2 CG1 HB &rst iat=1561,1565,1569,1564, &end # # chirality for residue 105 atoms: CB CD1 HG12 HG13 &rst iat=1563,1572,1570,1571, &end # # chirality for residue 105 atoms: N C HA CB &rst iat=1559,1576,1562,1563, &end # # chirality for residue 106 atoms: N C HA2 HA3 &rst iat=1578,1583,1581,1582, &end # # chirality for residue 107 atoms: CA CG HB2 HB3 &rst iat=1587,1592,1590,1591, &end # # chirality for residue 107 atoms: CB CD HG2 HG3 &rst iat=1589,1595,1593,1594, &end # # chirality for residue 107 atoms: N C HA CB &rst iat=1585,1598,1588,1589, &end # # chirality for residue 108 atoms: CA CG1 CG2 HB &rst iat=1602,1606,1610,1605, &end # # chirality for residue 108 atoms: N C HA CB &rst iat=1600,1614,1603,1604, &end # # chirality for residue 109 atoms: CA CG2 CG1 HB &rst iat=1618,1622,1626,1621, &end # # chirality for residue 109 atoms: CB CD1 HG12 HG13 &rst iat=1620,1629,1627,1628, &end # # chirality for residue 109 atoms: N C HA CB &rst iat=1616,1633,1619,1620, &end # # chirality for residue 110 atoms: CA CG HB2 HB3 &rst iat=1637,1642,1640,1641, &end # # chirality for residue 110 atoms: N C HA CB &rst iat=1635,1653,1638,1639, &end # # chirality for residue 111 atoms: CA CG HB2 HB3 &rst iat=1657,1662,1660,1661, &end # # chirality for residue 111 atoms: CB CD1 CD2 HG &rst iat=1659,1664,1668,1663, &end # # chirality for residue 111 atoms: N C HA CB &rst iat=1655,1672,1658,1659, &end # # chirality for residue 112 atoms: N C HA2 HA3 &rst iat=1674,1679,1677,1678, &end # # chirality for residue 113 atoms: CA CG2 CG1 HB &rst iat=1683,1687,1691,1686, &end # # chirality for residue 113 atoms: CB CD1 HG12 HG13 &rst iat=1685,1694,1692,1693, &end # # chirality for residue 113 atoms: N C HA CB &rst iat=1681,1698,1684,1685, &end # # chirality for residue 114 atoms: CA CG HB2 HB3 &rst iat=1702,1707,1705,1706, &end # # chirality for residue 114 atoms: CB CD HG2 HG3 &rst iat=1704,1710,1708,1709, &end # # chirality for residue 114 atoms: N C HA CB &rst iat=1700,1715,1703,1704, &end # # chirality for residue 115 atoms: CA CG HB2 HB3 &rst iat=1727,1721,1725,1726, &end # # chirality for residue 115 atoms: CB CD HG2 HG3 &rst iat=1724,1718,1722,1723, &end # # chirality for residue 115 atoms: CG N HD2 HD3 &rst iat=1721,1717,1719,1720, &end # # chirality for residue 115 atoms: N C HA CB &rst iat=1717,1729,1728,1724, &end # # chirality for residue 116 atoms: CA CG HB2 HB3 &rst iat=1733,1738,1736,1737, &end # # chirality for residue 116 atoms: N C HA CB &rst iat=1731,1741,1734,1735, &end # # chirality for residue 117 atoms: CA CG2 CG1 HB &rst iat=1745,1749,1753,1748, &end # # chirality for residue 117 atoms: CB CD1 HG12 HG13 &rst iat=1747,1756,1754,1755, &end # # chirality for residue 117 atoms: N C HA CB &rst iat=1743,1760,1746,1747, &end # # chirality for residue 118 atoms: CA CG1 CG2 HB &rst iat=1764,1768,1772,1767, &end # # chirality for residue 118 atoms: N C HA CB &rst iat=1762,1776,1765,1766, &end # # chirality for residue 119 atoms: N C HA2 HA3 &rst iat=1778,1783,1781,1782, &end # # chirality for residue 120 atoms: CA CG HB2 HB3 &rst iat=1787,1792,1790,1791, &end # # chirality for residue 120 atoms: N C HA CB &rst iat=1785,1803,1788,1789, &end # # chirality for residue 121 atoms: CA CG HB2 HB3 &rst iat=1807,1812,1810,1811, &end # # chirality for residue 121 atoms: N C HA CB &rst iat=1805,1824,1808,1809, &end # # chirality for residue 122 atoms: CA CG HB2 HB3 &rst iat=1828,1833,1831,1832, &end # # chirality for residue 122 atoms: N C HA CB &rst iat=1826,1845,1829,1830, &end # # chirality for residue 123 atoms: CA CG HB2 HB3 &rst iat=1857,1851,1855,1856, &end # # chirality for residue 123 atoms: CB CD HG2 HG3 &rst iat=1854,1848,1852,1853, &end # # chirality for residue 123 atoms: CG N HD2 HD3 &rst iat=1851,1847,1849,1850, &end # # chirality for residue 123 atoms: N C HA CB &rst iat=1847,1859,1858,1854, &end # # chirality for residue 124 atoms: CA CG HB2 HB3 &rst iat=1863,1868,1866,1867, &end # # chirality for residue 124 atoms: CB SD HG2 HG3 &rst iat=1865,1871,1869,1870, &end # # chirality for residue 124 atoms: N C HA CB &rst iat=1861,1876,1864,1865, &end # # chirality for residue 125 atoms: CA CG2 OG1 HB &rst iat=1880,1884,1888,1883, &end # # chirality for residue 125 atoms: N C HA CB &rst iat=1878,1890,1881,1882, &end # # chirality for residue 126 atoms: CA CG HB2 HB3 &rst iat=1894,1899,1897,1898, &end # # chirality for residue 126 atoms: CB CD HG2 HG3 &rst iat=1896,1902,1900,1901, &end # # chirality for residue 126 atoms: N C HA CB &rst iat=1892,1907,1895,1896, &end # # chirality for residue 127 atoms: CA CG HB2 HB3 &rst iat=1919,1913,1917,1918, &end # # chirality for residue 127 atoms: CB CD HG2 HG3 &rst iat=1916,1910,1914,1915, &end # # chirality for residue 127 atoms: CG N HD2 HD3 &rst iat=1913,1909,1911,1912, &end # # chirality for residue 127 atoms: N C HA CB &rst iat=1909,1921,1920,1916, &end # # chirality for residue 128 atoms: CA CG2 CG1 HB &rst iat=1925,1929,1933,1928, &end # # chirality for residue 128 atoms: CB CD1 HG12 HG13 &rst iat=1927,1936,1934,1935, &end # # chirality for residue 128 atoms: N C HA CB &rst iat=1923,1940,1926,1927, &end # # chirality for residue 129 atoms: CA CG HB2 HB3 &rst iat=1944,1949,1947,1948, &end # # chirality for residue 129 atoms: CB CD HG2 HG3 &rst iat=1946,1952,1950,1951, &end # # chirality for residue 129 atoms: CD NZ HE2 HE3 &rst iat=1952,1958,1956,1957, &end # # chirality for residue 129 atoms: CG CE HD2 HD3 &rst iat=1949,1955,1953,1954, &end # # chirality for residue 129 atoms: N C HA CB &rst iat=1942,1962,1945,1946, &end # # chirality for residue 130 atoms: CA CG HB2 HB3 &rst iat=1966,1971,1969,1970, &end # # chirality for residue 130 atoms: N C HA CB &rst iat=1964,1974,1967,1968, &end # # chirality for residue 131 atoms: N C HA CB &rst iat=1976,1984,1979,1980, &end # # chirality for residue 132 atoms: CA CG1 CG2 HB &rst iat=1988,1992,1996,1991, &end # # chirality for residue 132 atoms: N C HA CB &rst iat=1986,2000,1989,1990, &end # # chirality for residue 133 atoms: CA CG HB2 HB3 &rst iat=2004,2009,2007,2008, &end # # chirality for residue 133 atoms: CB CD HG2 HG3 &rst iat=2006,2012,2010,2011, &end # # chirality for residue 133 atoms: N C HA CB &rst iat=2002,2015,2005,2006, &end # # chirality for residue 134 atoms: CA CG2 OG1 HB &rst iat=2019,2023,2027,2022, &end # # chirality for residue 134 atoms: N C HA CB &rst iat=2017,2029,2020,2021, &end # # chirality for residue 135 atoms: CA CG1 CG2 HB &rst iat=2033,2037,2041,2036, &end # # chirality for residue 135 atoms: N C HA CB &rst iat=2031,2045,2034,2035, &end # # chirality for residue 136 atoms: CA CG HB2 HB3 &rst iat=2049,2054,2052,2053, &end # # chirality for residue 136 atoms: N C HA CB &rst iat=2047,2066,2050,2051, &end # # chirality for residue 137 atoms: CA CG HB2 HB3 &rst iat=2070,2075,2073,2074, &end # # chirality for residue 137 atoms: CB CD HG2 HG3 &rst iat=2072,2078,2076,2077, &end # # chirality for residue 137 atoms: N C HA CB &rst iat=2068,2083,2071,2072, &end # # chirality for residue 138 atoms: CA CG HB2 HB3 &rst iat=2087,2092,2090,2091, &end # # chirality for residue 138 atoms: CB CD HG2 HG3 &rst iat=2089,2095,2093,2094, &end # # chirality for residue 138 atoms: CG NE HD2 HD3 &rst iat=2092,2098,2096,2097, &end # # chirality for residue 138 atoms: N C HA CB &rst iat=2085,2107,2088,2089, &end # # chirality for residue 139 atoms: CA CG HB2 HB3 &rst iat=2111,2116,2114,2115, &end # # chirality for residue 139 atoms: CB CD1 CD2 HG &rst iat=2113,2118,2122,2117, &end # # chirality for residue 139 atoms: N C HA CB &rst iat=2109,2126,2112,2113, &end # # chirality for residue 140 atoms: CA CG HB2 HB3 &rst iat=2130,2135,2133,2134, &end # # chirality for residue 140 atoms: CB CD HG2 HG3 &rst iat=2132,2138,2136,2137, &end # # chirality for residue 140 atoms: N C HA CB &rst iat=2128,2141,2131,2132, &end # # chirality for residue 141 atoms: N C HA2 HA3 &rst iat=2143,2148,2146,2147, &end # # chirality for residue 142 atoms: CA CG HB2 HB3 &rst iat=2152,2157,2155,2156, &end # # chirality for residue 142 atoms: N C HA CB &rst iat=2150,2172,2153,2154, &end # # chirality for residue 143 atoms: CA CG HB2 HB3 &rst iat=2176,2181,2179,2180, &end # # chirality for residue 143 atoms: CB CD HG2 HG3 &rst iat=2178,2184,2182,2183, &end # # chirality for residue 143 atoms: N C HA CB &rst iat=2174,2187,2177,2178, &end # # chirality for residue 144 atoms: N C HA2 HA3 &rst iat=2189,2194,2192,2193, &end # # chirality for residue 145 atoms: CA CG HB2 HB3 &rst iat=2198,2203,2201,2202, &end # # chirality for residue 145 atoms: N C HA CB &rst iat=2196,2208,2199,2200, &end # # chirality for residue 146 atoms: N C HA2 HA3 &rst iat=2210,2215,2213,2214, &end # # chirality for residue 147 atoms: N C HA2 HA3 &rst iat=2217,2222,2220,2221, &end # # chirality for residue 148 atoms: CA CG HB2 HB3 &rst iat=2226,2231,2229,2230, &end # # chirality for residue 148 atoms: N C HA CB &rst iat=2224,2242,2227,2228, &end # # chirality for residue 149 atoms: N C HA CB &rst iat=2244,2252,2247,2248, &end # # chirality for residue 150 atoms: CA CG HB2 HB3 &rst iat=2256,2261,2259,2260, &end # # chirality for residue 150 atoms: CB CD HG2 HG3 &rst iat=2258,2264,2262,2263, &end # # chirality for residue 150 atoms: N C HA CB &rst iat=2254,2269,2257,2258, &end # # chirality for residue 151 atoms: CA CG HB2 HB3 &rst iat=2273,2278,2276,2277, &end # # chirality for residue 151 atoms: CB CD1 CD2 HG &rst iat=2275,2280,2284,2279, &end # # chirality for residue 151 atoms: N C HA CB &rst iat=2271,2288,2274,2275, &end # # chirality for residue 152 atoms: N C HA CB &rst iat=2290,2298,2293,2294, &end # # chirality for residue 153 atoms: CA CG1 CG2 HB &rst iat=2302,2306,2310,2305, &end # # chirality for residue 153 atoms: N C HA CB &rst iat=2300,2314,2303,2304, &end # # chirality for residue 154 atoms: CA CG HB2 HB3 &rst iat=2318,2323,2321,2322, &end # # chirality for residue 154 atoms: CB CD HG2 HG3 &rst iat=2320,2326,2324,2325, &end # # chirality for residue 154 atoms: N C HA CB &rst iat=2316,2329,2319,2320, &end # # chirality for residue 155 atoms: CA CG HB2 HB3 &rst iat=2333,2338,2336,2337, &end # # chirality for residue 155 atoms: CB CD HG2 HG3 &rst iat=2335,2341,2339,2340, &end # # chirality for residue 155 atoms: N C HA CB &rst iat=2331,2344,2334,2335, &end # # chirality for residue 156 atoms: CA CG HB2 HB3 &rst iat=2348,2353,2351,2352, &end # # chirality for residue 156 atoms: CB CD HG2 HG3 &rst iat=2350,2356,2354,2355, &end # # chirality for residue 156 atoms: N C HA CB &rst iat=2346,2359,2349,2350, &end # # trans-omega constraint for residue 2 &rst iat=22,20,18,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=36,34,32,22, &end # # trans-omega constraint for residue 4 &rst iat=48,46,44,36, &end # # trans-omega constraint for residue 5 &rst iat=64,62,60,48, &end # # trans-omega constraint for residue 6 &rst iat=83,81,79,64, &end # # trans-omega constraint for residue 7 &rst iat=102,100,98,83, &end # # trans-omega constraint for residue 8 &rst iat=113,111,109,102, &end # # trans-omega constraint for residue 9 &rst iat=129,127,125,113, &end # # trans-omega constraint for residue 10 &rst iat=136,134,132,129, &end # # trans-omega constraint for residue 11 &rst iat=150,148,146,136, &end # # trans-omega constraint for residue 12 &rst iat=161,159,157,150, &end # # trans-omega constraint for residue 13 &rst iat=178,176,174,161, &end # # trans-omega constraint for residue 14 &rst iat=195,193,191,178, &end # # trans-omega constraint for residue 15 &rst iat=202,200,198,195, &end # # trans-omega constraint for residue 16 &rst iat=214,212,210,202, &end # # trans-omega constraint for residue 17 &rst iat=226,224,222,214, &end # # trans-omega constraint for residue 18 &rst iat=233,231,229,226, &end # # trans-omega constraint for residue 19 &rst iat=243,241,239,233, &end # # trans-omega constraint for residue 20 &rst iat=258,248,246,243, &end # # trans-omega constraint for residue 21 &rst iat=264,262,260,258, &end # # trans-omega constraint for residue 22 &rst iat=283,281,279,264, &end # # trans-omega constraint for residue 23 &rst iat=302,300,298,283, &end # # trans-omega constraint for residue 24 &rst iat=312,310,308,302, &end # # trans-omega constraint for residue 25 &rst iat=327,325,323,312, &end # # trans-omega constraint for residue 26 &rst iat=349,347,345,327, &end # # trans-omega constraint for residue 27 &rst iat=360,358,356,349, &end # # trans-omega constraint for residue 28 &rst iat=370,368,366,360, &end # # trans-omega constraint for residue 29 &rst iat=380,378,376,370, &end # # trans-omega constraint for residue 30 &rst iat=398,388,386,380, &end # # trans-omega constraint for residue 31 &rst iat=404,402,400,398, &end # # trans-omega constraint for residue 32 &rst iat=426,424,422,404, &end # # trans-omega constraint for residue 33 &rst iat=433,431,429,426, &end # # trans-omega constraint for residue 34 &rst iat=447,445,443,433, &end # # trans-omega constraint for residue 35 &rst iat=471,469,467,447, &end # # trans-omega constraint for residue 36 &rst iat=487,485,483,471, &end # # trans-omega constraint for residue 37 &rst iat=503,501,499,487, &end # # trans-omega constraint for residue 38 &rst iat=522,520,518,503, &end # # trans-omega constraint for residue 39 &rst iat=534,532,530,522, &end # # trans-omega constraint for residue 40 &rst iat=541,539,537,534, &end # # trans-omega constraint for residue 41 &rst iat=548,546,544,541, &end # # trans-omega constraint for residue 42 &rst iat=559,557,555,548, &end # # trans-omega constraint for residue 43 &rst iat=577,567,565,559, &end # # trans-omega constraint for residue 44 &rst iat=583,581,579,577, &end # # trans-omega constraint for residue 45 &rst iat=598,596,594,583, &end # # trans-omega constraint for residue 46 &rst iat=612,610,608,598, &end # # trans-omega constraint for residue 47 &rst iat=624,622,620,612, &end # # trans-omega constraint for residue 48 &rst iat=643,641,639,624, &end # # trans-omega constraint for residue 49 &rst iat=659,657,655,643, &end # # trans-omega constraint for residue 50 &rst iat=669,667,665,659, &end # # trans-omega constraint for residue 51 &rst iat=688,686,684,669, &end # # trans-omega constraint for residue 52 &rst iat=712,710,708,688, &end # # trans-omega constraint for residue 53 &rst iat=727,725,723,712, &end # # trans-omega constraint for residue 54 &rst iat=746,744,742,727, &end # # trans-omega constraint for residue 55 &rst iat=778,768,766,746, &end # # trans-omega constraint for residue 56 &rst iat=784,782,780,778, &end # # trans-omega constraint for residue 57 &rst iat=798,796,794,784, &end # # trans-omega constraint for residue 58 &rst iat=822,820,818,798, &end # # trans-omega constraint for residue 59 &rst iat=841,839,837,822, &end # # trans-omega constraint for residue 60 &rst iat=860,858,856,841, &end # # trans-omega constraint for residue 61 &rst iat=879,877,875,860, &end # # trans-omega constraint for residue 62 &rst iat=895,893,891,879, &end # # trans-omega constraint for residue 63 &rst iat=907,905,903,895, &end # # trans-omega constraint for residue 64 &rst iat=917,915,913,907, &end # # trans-omega constraint for residue 65 &rst iat=931,929,927,917, &end # # trans-omega constraint for residue 66 &rst iat=943,941,939,931, &end # # trans-omega constraint for residue 67 &rst iat=960,958,956,943, &end # # trans-omega constraint for residue 68 &rst iat=967,965,963,960, &end # # trans-omega constraint for residue 69 &rst iat=986,984,982,967, &end # # trans-omega constraint for residue 70 &rst iat=1008,998,996,986, &end # # trans-omega constraint for residue 71 &rst iat=1014,1012,1010,1008, &end # # trans-omega constraint for residue 72 &rst iat=1021,1019,1017,1014, &end # # trans-omega constraint for residue 73 &rst iat=1036,1034,1032,1021, &end # # trans-omega constraint for residue 74 &rst iat=1055,1053,1051,1036, &end # # trans-omega constraint for residue 75 &rst iat=1079,1077,1075,1055, &end # # trans-omega constraint for residue 76 &rst iat=1098,1096,1094,1079, &end # # trans-omega constraint for residue 77 &rst iat=1117,1115,1113,1098, &end # # trans-omega constraint for residue 78 &rst iat=1137,1127,1125,1117, &end # # trans-omega constraint for residue 79 &rst iat=1143,1141,1139,1137, &end # # trans-omega constraint for residue 80 &rst iat=1155,1153,1151,1143, &end # # trans-omega constraint for residue 81 &rst iat=1167,1165,1163,1155, &end # # trans-omega constraint for residue 82 &rst iat=1186,1184,1182,1167, &end # # trans-omega constraint for residue 83 &rst iat=1196,1194,1192,1186, &end # # trans-omega constraint for residue 84 &rst iat=1211,1209,1207,1196, &end # # trans-omega constraint for residue 85 &rst iat=1228,1226,1224,1211, &end # # trans-omega constraint for residue 86 &rst iat=1248,1246,1244,1228, &end # # trans-omega constraint for residue 87 &rst iat=1265,1263,1261,1248, &end # # trans-omega constraint for residue 88 &rst iat=1282,1280,1278,1265, &end # # trans-omega constraint for residue 89 &rst iat=1296,1294,1292,1282, &end # # trans-omega constraint for residue 90 &rst iat=1310,1308,1306,1296, &end # # trans-omega constraint for residue 91 &rst iat=1327,1325,1323,1310, &end # # trans-omega constraint for residue 92 &rst iat=1341,1339,1337,1327, &end # # trans-omega constraint for residue 93 &rst iat=1366,1356,1354,1341, &end # # trans-omega constraint for residue 94 &rst iat=1372,1370,1368,1366, &end # # trans-omega constraint for residue 95 &rst iat=1391,1389,1387,1372, &end # # trans-omega constraint for residue 96 &rst iat=1405,1403,1401,1391, &end # # trans-omega constraint for residue 97 &rst iat=1426,1424,1422,1405, &end # # trans-omega constraint for residue 98 &rst iat=1445,1443,1441,1426, &end # # trans-omega constraint for residue 99 &rst iat=1464,1462,1460,1445, &end # # trans-omega constraint for residue 100 &rst iat=1476,1474,1472,1464, &end # # trans-omega constraint for residue 101 &rst iat=1493,1491,1489,1476, &end # # trans-omega constraint for residue 102 &rst iat=1512,1510,1508,1493, &end # # trans-omega constraint for residue 103 &rst iat=1534,1532,1530,1512, &end # # trans-omega constraint for residue 104 &rst iat=1549,1547,1545,1534, &end # # trans-omega constraint for residue 105 &rst iat=1561,1559,1557,1549, &end # # trans-omega constraint for residue 106 &rst iat=1580,1578,1576,1561, &end # # trans-omega constraint for residue 107 &rst iat=1587,1585,1583,1580, &end # # trans-omega constraint for residue 108 &rst iat=1602,1600,1598,1587, &end # # trans-omega constraint for residue 109 &rst iat=1618,1616,1614,1602, &end # # trans-omega constraint for residue 110 &rst iat=1637,1635,1633,1618, &end # # trans-omega constraint for residue 111 &rst iat=1657,1655,1653,1637, &end # # trans-omega constraint for residue 112 &rst iat=1676,1674,1672,1657, &end # # trans-omega constraint for residue 113 &rst iat=1683,1681,1679,1676, &end # # trans-omega constraint for residue 114 &rst iat=1702,1700,1698,1683, &end # # trans-omega constraint for residue 115 &rst iat=1727,1717,1715,1702, &end # # trans-omega constraint for residue 116 &rst iat=1733,1731,1729,1727, &end # # trans-omega constraint for residue 117 &rst iat=1745,1743,1741,1733, &end # # trans-omega constraint for residue 118 &rst iat=1764,1762,1760,1745, &end # # trans-omega constraint for residue 119 &rst iat=1780,1778,1776,1764, &end # # trans-omega constraint for residue 120 &rst iat=1787,1785,1783,1780, &end # # trans-omega constraint for residue 121 &rst iat=1807,1805,1803,1787, &end # # trans-omega constraint for residue 122 &rst iat=1828,1826,1824,1807, &end # # trans-omega constraint for residue 123 &rst iat=1857,1847,1845,1828, &end # # trans-omega constraint for residue 124 &rst iat=1863,1861,1859,1857, &end # # trans-omega constraint for residue 125 &rst iat=1880,1878,1876,1863, &end # # trans-omega constraint for residue 126 &rst iat=1894,1892,1890,1880, &end # # trans-omega constraint for residue 127 &rst iat=1919,1909,1907,1894, &end # # trans-omega constraint for residue 128 &rst iat=1925,1923,1921,1919, &end # # trans-omega constraint for residue 129 &rst iat=1944,1942,1940,1925, &end # # trans-omega constraint for residue 130 &rst iat=1966,1964,1962,1944, &end # # trans-omega constraint for residue 131 &rst iat=1978,1976,1974,1966, &end # # trans-omega constraint for residue 132 &rst iat=1988,1986,1984,1978, &end # # trans-omega constraint for residue 133 &rst iat=2004,2002,2000,1988, &end # # trans-omega constraint for residue 134 &rst iat=2019,2017,2015,2004, &end # # trans-omega constraint for residue 135 &rst iat=2033,2031,2029,2019, &end # # trans-omega constraint for residue 136 &rst iat=2049,2047,2045,2033, &end # # trans-omega constraint for residue 137 &rst iat=2070,2068,2066,2049, &end # # trans-omega constraint for residue 138 &rst iat=2087,2085,2083,2070, &end # # trans-omega constraint for residue 139 &rst iat=2111,2109,2107,2087, &end # # trans-omega constraint for residue 140 &rst iat=2130,2128,2126,2111, &end # # trans-omega constraint for residue 141 &rst iat=2145,2143,2141,2130, &end # # trans-omega constraint for residue 142 &rst iat=2152,2150,2148,2145, &end # # trans-omega constraint for residue 143 &rst iat=2176,2174,2172,2152, &end # # trans-omega constraint for residue 144 &rst iat=2191,2189,2187,2176, &end # # trans-omega constraint for residue 145 &rst iat=2198,2196,2194,2191, &end # # trans-omega constraint for residue 146 &rst iat=2212,2210,2208,2198, &end # # trans-omega constraint for residue 147 &rst iat=2219,2217,2215,2212, &end # # trans-omega constraint for residue 148 &rst iat=2226,2224,2222,2219, &end # # trans-omega constraint for residue 149 &rst iat=2246,2244,2242,2226, &end # # trans-omega constraint for residue 150 &rst iat=2256,2254,2252,2246, &end # # trans-omega constraint for residue 151 &rst iat=2273,2271,2269,2256, &end # # trans-omega constraint for residue 152 &rst iat=2292,2290,2288,2273, &end # # trans-omega constraint for residue 153 &rst iat=2302,2300,2298,2292, &end # # trans-omega constraint for residue 154 &rst iat=2318,2316,2314,2302, &end # # trans-omega constraint for residue 155 &rst iat=2333,2331,2329,2318, &end # # trans-omega constraint for residue 156 &rst iat=2348,2346,2344,2333, &end # 2361 atoms read from pdb file amb_HycI.pdb. # 2 THR PHI: (1 MET C)-(2 THR N)-(2 THR CA)-(2 THR C) -156.0 -56.0 &rst iat = 18, 20, 22, 32, r1 = -157.0, r2 = -156.0, r3 = -56.0, r4 = -55.0, rk2 = 2.0, rk3 = 2.0, &end # 2 THR PSI: (2 THR N)-(2 THR CA)-(2 THR C)-(3 ASP N) 62.0 162.0 &rst iat = 20, 22, 32, 34, r1 = 61.0, r2 = 62.0, r3 = 162.0, r4 = 163.0, &end # 3 ASP PHI: (2 THR C)-(3 ASP N)-(3 ASP CA)-(3 ASP C) -156.0 -56.0 &rst iat = 32, 34, 36, 44, r1 = -157.0, r2 = -156.0, r3 = -56.0, r4 = -55.0, &end # 3 ASP PSI: (3 ASP N)-(3 ASP CA)-(3 ASP C)-(4 VAL N) 96.0 156.0 &rst iat = 34, 36, 44, 46, r1 = 95.0, r2 = 96.0, r3 = 156.0, r4 = 157.0, &end # 4 VAL PHI: (3 ASP C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -145.0 -85.0 &rst iat = 44, 46, 48, 60, r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0, &end # 4 VAL PSI: (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 LEU N) 101.0 161.0 &rst iat = 46, 48, 60, 62, r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0, &end # 5 LEU PHI: (4 VAL C)-(5 LEU N)-(5 LEU CA)-(5 LEU C) -145.0 -85.0 &rst iat = 60, 62, 64, 79, r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0, &end # 5 LEU PSI: (5 LEU N)-(5 LEU CA)-(5 LEU C)-(6 LEU N) 101.0 161.0 &rst iat = 62, 64, 79, 81, r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0, &end # 6 LEU PHI: (5 LEU C)-(6 LEU N)-(6 LEU CA)-(6 LEU C) -142.0 -82.0 &rst iat = 79, 81, 83, 98, r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0, &end # 6 LEU PSI: (6 LEU N)-(6 LEU CA)-(6 LEU C)-(7 CYS N) 99.0 159.0 &rst iat = 81, 83, 98, 100, r1 = 98.0, r2 = 99.0, r3 = 159.0, r4 = 160.0, &end # 7 CYS PHI: (6 LEU C)-(7 CYS N)-(7 CYS CA)-(7 CYS C) -123.0 -63.0 &rst iat = 98, 100, 102, 109, r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0, &end # 7 CYS PSI: (7 CYS N)-(7 CYS CA)-(7 CYS C)-(8 VAL N) 99.0 159.0 &rst iat = 100, 102, 109, 111, r1 = 98.0, r2 = 99.0, r3 = 159.0, r4 = 160.0, &end # 8 VAL PHI: (7 CYS C)-(8 VAL N)-(8 VAL CA)-(8 VAL C) -144.0 -84.0 &rst iat = 109, 111, 113, 125, r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0, &end # 8 VAL PSI: (8 VAL N)-(8 VAL CA)-(8 VAL C)-(9 GLY N) 106.0 166.0 &rst iat = 111, 113, 125, 127, r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0, &end # 15 ASP PHI: (14 GLY C)-(15 ASP N)-(15 ASP CA)-(15 ASP C) -95.0 -35.0 &rst iat = 198, 200, 202, 210, r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0, &end # 15 ASP PSI: (15 ASP N)-(15 ASP CA)-(15 ASP C)-(16 ASP N) -61.0 -1.0 &rst iat = 200, 202, 210, 212, r1 = -62.0, r2 = -61.0, r3 = -1.0, r4 = 0.0, &end # 19 GLY PHI: (18 ALA C)-(19 GLY N)-(19 GLY CA)-(19 GLY C) -89.0 -29.0 &rst iat = 239, 241, 243, 246, r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0, &end # 19 GLY PSI: (19 GLY N)-(19 GLY CA)-(19 GLY C)-(20 PRO N) -62.0 -2.0 &rst iat = 241, 243, 246, 248, r1 = -63.0, r2 = -62.0, r3 = -2.0, r4 = -1.0, &end # 21 LEU PHI: (20 PRO C)-(21 LEU N)-(21 LEU CA)-(21 LEU C) -98.0 -38.0 &rst iat = 260, 262, 264, 279, r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0, &end # 21 LEU PSI: (21 LEU N)-(21 LEU CA)-(21 LEU C)-(22 LEU N) -71.0 -11.0 &rst iat = 262, 264, 279, 281, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 22 LEU PHI: (21 LEU C)-(22 LEU N)-(22 LEU CA)-(22 LEU C) -98.0 -38.0 &rst iat = 279, 281, 283, 298, r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0, &end # 22 LEU PSI: (22 LEU N)-(22 LEU CA)-(22 LEU C)-(23 ALA N) -72.0 -12.0 &rst iat = 281, 283, 298, 300, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 23 ALA PHI: (22 LEU C)-(23 ALA N)-(23 ALA CA)-(23 ALA C) -96.0 -36.0 &rst iat = 298, 300, 302, 308, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 23 ALA PSI: (23 ALA N)-(23 ALA CA)-(23 ALA C)-(24 GLU N) -74.0 -14.0 &rst iat = 300, 302, 308, 310, r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0, &end # 24 GLU PHI: (23 ALA C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -97.0 -37.0 &rst iat = 308, 310, 312, 323, r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0, &end # 24 GLU PSI: (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 LYS N) -71.0 -11.0 &rst iat = 310, 312, 323, 325, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 25 LYS PHI: (24 GLU C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -99.0 -39.0 &rst iat = 323, 325, 327, 345, r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0, &end # 25 LYS PSI: (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 CYS N) -67.0 -7.0 &rst iat = 325, 327, 345, 347, r1 = -68.0, r2 = -67.0, r3 = -7.0, r4 = -6.0, &end # 26 CYS PHI: (25 LYS C)-(26 CYS N)-(26 CYS CA)-(26 CYS C) -96.0 -36.0 &rst iat = 345, 347, 349, 356, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 26 CYS PSI: (26 CYS N)-(26 CYS CA)-(26 CYS C)-(27 ALA N) -65.0 -5.0 &rst iat = 347, 349, 356, 358, r1 = -66.0, r2 = -65.0, r3 = -5.0, r4 = -4.0, &end # 27 ALA PHI: (26 CYS C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) -94.0 -34.0 &rst iat = 356, 358, 360, 366, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 27 ALA PSI: (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 ALA N) -70.0 -10.0 &rst iat = 358, 360, 366, 368, r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 = -9.0, &end # 35 VAL PHI: (34 TRP C)-(35 VAL N)-(35 VAL CA)-(35 VAL C) -144.0 -44.0 &rst iat = 467, 469, 471, 483, r1 = -145.0, r2 = -144.0, r3 = -44.0, r4 = -43.0, &end # 35 VAL PSI: (35 VAL N)-(35 VAL CA)-(35 VAL C)-(36 VAL N) 95.0 155.0 &rst iat = 469, 471, 483, 485, r1 = 94.0, r2 = 95.0, r3 = 155.0, r4 = 156.0, &end # 36 VAL PHI: (35 VAL C)-(36 VAL N)-(36 VAL CA)-(36 VAL C) -153.0 -53.0 &rst iat = 483, 485, 487, 499, r1 = -154.0, r2 = -153.0, r3 = -53.0, r4 = -52.0, &end # 36 VAL PSI: (36 VAL N)-(36 VAL CA)-(36 VAL C)-(37 ILE N) 104.0 164.0 &rst iat = 485, 487, 499, 501, r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0, &end # 37 ILE PHI: (36 VAL C)-(37 ILE N)-(37 ILE CA)-(37 ILE C) -170.0 -70.0 &rst iat = 499, 501, 503, 518, r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0, &end # 37 ILE PSI: (37 ILE N)-(37 ILE CA)-(37 ILE C)-(38 ASP N) 103.0 163.0 &rst iat = 501, 503, 518, 520, r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0, &end # 38 ASP PHI: (37 ILE C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -135.0 -35.0 &rst iat = 518, 520, 522, 530, r1 = -136.0, r2 = -135.0, r3 = -35.0, r4 = -34.0, &end # 38 ASP PSI: (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 GLY N) 74.0 174.0 &rst iat = 520, 522, 530, 532, r1 = 73.0, r2 = 74.0, r3 = 174.0, r4 = 175.0, &end # 46 ASP PHI: (45 ASN C)-(46 ASP N)-(46 ASP CA)-(46 ASP C) -115.0 -15.0 &rst iat = 608, 610, 612, 620, r1 = -116.0, r2 = -115.0, r3 = -15.0, r4 = -14.0, &end # 46 ASP PSI: (46 ASP N)-(46 ASP CA)-(46 ASP C)-(47 ILE N) -68.0 -8.0 &rst iat = 610, 612, 620, 622, r1 = -69.0, r2 = -68.0, r3 = -8.0, r4 = -7.0, &end # 47 ILE PHI: (46 ASP C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -99.0 -39.0 &rst iat = 620, 622, 624, 639, r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0, &end # 47 ILE PSI: (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 VAL N) -73.0 -13.0 &rst iat = 622, 624, 639, 641, r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0, &end # 48 VAL PHI: (47 ILE C)-(48 VAL N)-(48 VAL CA)-(48 VAL C) -95.0 -35.0 &rst iat = 639, 641, 643, 655, r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0, &end # 48 VAL PSI: (48 VAL N)-(48 VAL CA)-(48 VAL C)-(49 ALA N) -72.0 -12.0 &rst iat = 641, 643, 655, 657, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 49 ALA PHI: (48 VAL C)-(49 ALA N)-(49 ALA CA)-(49 ALA C) -94.0 -34.0 &rst iat = 655, 657, 659, 665, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 49 ALA PSI: (49 ALA N)-(49 ALA CA)-(49 ALA C)-(50 ILE N) -71.0 -11.0 &rst iat = 657, 659, 665, 667, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 50 ILE PHI: (49 ALA C)-(50 ILE N)-(50 ILE CA)-(50 ILE C) -101.0 -41.0 &rst iat = 665, 667, 669, 684, r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0, &end # 50 ILE PSI: (50 ILE N)-(50 ILE CA)-(50 ILE C)-(51 ARG N) -70.0 -10.0 &rst iat = 667, 669, 684, 686, r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 = -9.0, &end # 51 ARG PHI: (50 ILE C)-(51 ARG N)-(51 ARG CA)-(51 ARG C) -91.0 -31.0 &rst iat = 684, 686, 688, 708, r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0, &end # 51 ARG PSI: (51 ARG N)-(51 ARG CA)-(51 ARG C)-(52 GLU N) -66.0 -6.0 &rst iat = 686, 688, 708, 710, r1 = -67.0, r2 = -66.0, r3 = -6.0, r4 = -5.0, &end # 53 LEU PHI: (52 GLU C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -112.0 -52.0 &rst iat = 723, 725, 727, 742, r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0, &end # 53 LEU PSI: (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 ARG N) -49.0 11.0 &rst iat = 725, 727, 742, 744, r1 = -50.0, r2 = -49.0, r3 = 11.0, r4 = 12.0, &end # 57 ARG PHI: (56 THR C)-(57 ARG N)-(57 ARG CA)-(57 ARG C) -177.0 -117.0 &rst iat = 794, 796, 798, 818, r1 = -178.0, r2 = -177.0, r3 = -117.0, r4 = -116.0, &end # 57 ARG PSI: (57 ARG N)-(57 ARG CA)-(57 ARG C)-(58 LEU N) 116.0 176.0 &rst iat = 796, 798, 818, 820, r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0, &end # 58 LEU PHI: (57 ARG C)-(58 LEU N)-(58 LEU CA)-(58 LEU C) -154.0 -94.0 &rst iat = 818, 820, 822, 837, r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0, &end # 58 LEU PSI: (58 LEU N)-(58 LEU CA)-(58 LEU C)-(59 LEU N) 96.0 156.0 &rst iat = 820, 822, 837, 839, r1 = 95.0, r2 = 96.0, r3 = 156.0, r4 = 157.0, &end # 59 LEU PHI: (58 LEU C)-(59 LEU N)-(59 LEU CA)-(59 LEU C) -145.0 -85.0 &rst iat = 837, 839, 841, 856, r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0, &end # 59 LEU PSI: (59 LEU N)-(59 LEU CA)-(59 LEU C)-(60 ILE N) 93.0 153.0 &rst iat = 839, 841, 856, 858, r1 = 92.0, r2 = 93.0, r3 = 153.0, r4 = 154.0, &end # 60 ILE PHI: (59 LEU C)-(60 ILE N)-(60 ILE CA)-(60 ILE C) -140.0 -80.0 &rst iat = 856, 858, 860, 875, r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0, &end # 60 ILE PSI: (60 ILE N)-(60 ILE CA)-(60 ILE C)-(61 VAL N) 103.0 163.0 &rst iat = 858, 860, 875, 877, r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0, &end # 61 VAL PHI: (60 ILE C)-(61 VAL N)-(61 VAL CA)-(61 VAL C) -143.0 -83.0 &rst iat = 875, 877, 879, 891, r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0, &end # 61 VAL PSI: (61 VAL N)-(61 VAL CA)-(61 VAL C)-(62 ASP N) 111.0 171.0 &rst iat = 877, 879, 891, 893, r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0, &end # 63 ALA PHI: (62 ASP C)-(63 ALA N)-(63 ALA CA)-(63 ALA C) -131.0 -71.0 &rst iat = 903, 905, 907, 913, r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0, &end # 63 ALA PSI: (63 ALA N)-(63 ALA CA)-(63 ALA C)-(64 THR N) 92.0 152.0 &rst iat = 905, 907, 913, 915, r1 = 91.0, r2 = 92.0, r3 = 152.0, r4 = 153.0, &end # 64 THR PHI: (63 ALA C)-(64 THR N)-(64 THR CA)-(64 THR C) -164.0 -64.0 &rst iat = 913, 915, 917, 927, r1 = -165.0, r2 = -164.0, r3 = -64.0, r4 = -63.0, &end # 64 THR PSI: (64 THR N)-(64 THR CA)-(64 THR C)-(65 ASP N) 106.0 166.0 &rst iat = 915, 917, 927, 929, r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0, &end # 65 ASP PHI: (64 THR C)-(65 ASP N)-(65 ASP CA)-(65 ASP C) -126.0 -66.0 &rst iat = 927, 929, 931, 939, r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0, &end # 65 ASP PSI: (65 ASP N)-(65 ASP CA)-(65 ASP C)-(66 MET N) 78.0 178.0 &rst iat = 929, 931, 939, 941, r1 = 77.0, r2 = 78.0, r3 = 178.0, r4 = 179.0, &end # 74 ARG PHI: (73 ILE C)-(74 ARG N)-(74 ARG CA)-(74 ARG C) -161.0 -101.0 &rst iat = 1051, 1053, 1055, 1075, r1 = -162.0, r2 = -161.0, r3 = -101.0, r4 = -100.0, &end # 74 ARG PSI: (74 ARG N)-(74 ARG CA)-(74 ARG C)-(75 ILE N) 109.0 169.0 &rst iat = 1053, 1055, 1075, 1077, r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0, &end # 75 ILE PHI: (74 ARG C)-(75 ILE N)-(75 ILE CA)-(75 ILE C) -136.0 -76.0 &rst iat = 1075, 1077, 1079, 1094, r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0, &end # 75 ILE PSI: (75 ILE N)-(75 ILE CA)-(75 ILE C)-(76 ILE N) 89.0 149.0 &rst iat = 1077, 1079, 1094, 1096, r1 = 88.0, r2 = 89.0, r3 = 149.0, r4 = 150.0, &end # 76 ILE PHI: (75 ILE C)-(76 ILE N)-(76 ILE CA)-(76 ILE C) -138.0 -78.0 &rst iat = 1094, 1096, 1098, 1113, r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0, &end # 77 ASP PSI: (77 ASP N)-(77 ASP CA)-(77 ASP C)-(78 PRO N) 110.0 170.0 &rst iat = 1115, 1117, 1125, 1127, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 79 ASP PHI: (78 PRO C)-(79 ASP N)-(79 ASP CA)-(79 ASP C) -112.0 -52.0 &rst iat = 1139, 1141, 1143, 1151, r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0, &end # 79 ASP PSI: (79 ASP N)-(79 ASP CA)-(79 ASP C)-(80 ASP N) -50.0 10.0 &rst iat = 1141, 1143, 1151, 1153, r1 = -51.0, r2 = -50.0, r3 = 10.0, r4 = 11.0, &end # 82 ALA PHI: (81 ILE C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -91.0 -31.0 &rst iat = 1182, 1184, 1186, 1192, r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0, &end # 82 ALA PSI: (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 GLU N) -67.0 -7.0 &rst iat = 1184, 1186, 1192, 1194, r1 = -68.0, r2 = -67.0, r3 = -7.0, r4 = -6.0, &end # 84 MET PHI: (83 GLU C)-(84 MET N)-(84 MET CA)-(84 MET C) -121.0 -21.0 &rst iat = 1207, 1209, 1211, 1224, r1 = -122.0, r2 = -121.0, r3 = -21.0, r4 = -20.0, &end # 84 MET PSI: (84 MET N)-(84 MET CA)-(84 MET C)-(85 PHE N) -61.0 -1.0 &rst iat = 1209, 1211, 1224, 1226, r1 = -62.0, r2 = -61.0, r3 = -1.0, r4 = 0.0, &end # 85 PHE PHI: (84 MET C)-(85 PHE N)-(85 PHE CA)-(85 PHE C) -122.0 -62.0 &rst iat = 1224, 1226, 1228, 1244, r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0, &end # 85 PHE PSI: (85 PHE N)-(85 PHE CA)-(85 PHE C)-(86 MET N) -40.0 20.0 &rst iat = 1226, 1228, 1244, 1246, r1 = -41.0, r2 = -40.0, r3 = 20.0, r4 = 21.0, &end # 94 LEU PHI: (93 PRO C)-(94 LEU N)-(94 LEU CA)-(94 LEU C) -93.0 -33.0 &rst iat = 1368, 1370, 1372, 1387, r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0, &end # 94 LEU PSI: (94 LEU N)-(94 LEU CA)-(94 LEU C)-(95 ASN N) -72.0 -12.0 &rst iat = 1370, 1372, 1387, 1389, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 95 ASN PHI: (94 LEU C)-(95 ASN N)-(95 ASN CA)-(95 ASN C) -95.0 -35.0 &rst iat = 1387, 1389, 1391, 1401, r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0, &end # 95 ASN PSI: (95 ASN N)-(95 ASN CA)-(95 ASN C)-(96 TYR N) -71.0 -11.0 &rst iat = 1389, 1391, 1401, 1403, r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0, &end # 96 TYR PHI: (95 ASN C)-(96 TYR N)-(96 TYR CA)-(96 TYR C) -95.0 -35.0 &rst iat = 1401, 1403, 1405, 1422, r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0, &end # 96 TYR PSI: (96 TYR N)-(96 TYR CA)-(96 TYR C)-(97 LEU N) -72.0 -12.0 &rst iat = 1403, 1405, 1422, 1424, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 97 LEU PHI: (96 TYR C)-(97 LEU N)-(97 LEU CA)-(97 LEU C) -97.0 -37.0 &rst iat = 1422, 1424, 1426, 1441, r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0, &end # 97 LEU PSI: (97 LEU N)-(97 LEU CA)-(97 LEU C)-(98 ILE N) -68.0 -8.0 &rst iat = 1424, 1426, 1441, 1443, r1 = -69.0, r2 = -68.0, r3 = -8.0, r4 = -7.0, &end # 98 ILE PHI: (97 LEU C)-(98 ILE N)-(98 ILE CA)-(98 ILE C) -101.0 -41.0 &rst iat = 1441, 1443, 1445, 1460, r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0, &end # 98 ILE PSI: (98 ILE N)-(98 ILE CA)-(98 ILE C)-(99 ASP N) -75.0 -15.0 &rst iat = 1443, 1445, 1460, 1462, r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0, &end # 99 ASP PHI: (98 ILE C)-(99 ASP N)-(99 ASP CA)-(99 ASP C) -88.0 -28.0 &rst iat = 1460, 1462, 1464, 1472, r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0, &end # 99 ASP PSI: (99 ASP N)-(99 ASP CA)-(99 ASP C)-(100 GLN N) -72.0 -12.0 &rst iat = 1462, 1464, 1472, 1474, r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0, &end # 100 GLN PHI: (99 ASP C)-(100 GLN N)-(100 GLN CA)-(100 GLN C) -100.0 -40.0 &rst iat = 1472, 1474, 1476, 1489, r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0, &end # 100 GLN PSI: (100 GLN N)-(100 GLN CA)-(100 GLN C)-(101 LEU N) -60.0 0.0 &rst iat = 1474, 1476, 1489, 1491, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 102 LYS PHI: (101 LEU C)-(102 LYS N)-(102 LYS CA)-(102 LYS C) -96.0 -36.0 &rst iat = 1508, 1510, 1512, 1530, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 102 LYS PSI: (102 LYS N)-(102 LYS CA)-(102 LYS C)-(103 GLU N) -69.0 -9.0 &rst iat = 1510, 1512, 1530, 1532, r1 = -70.0, r2 = -69.0, r3 = -9.0, r4 = -8.0, &end # 103 GLU PHI: (102 LYS C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -102.0 -42.0 &rst iat = 1530, 1532, 1534, 1545, r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0, &end # 103 GLU PSI: (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 ASP N) -54.0 6.0 &rst iat = 1532, 1534, 1545, 1547, r1 = -55.0, r2 = -54.0, r3 = 6.0, r4 = 7.0, &end # 108 VAL PHI: (107 GLU C)-(108 VAL N)-(108 VAL CA)-(108 VAL C) -139.0 -79.0 &rst iat = 1598, 1600, 1602, 1614, r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0, &end # 108 VAL PSI: (108 VAL N)-(108 VAL CA)-(108 VAL C)-(109 ILE N) 99.0 159.0 &rst iat = 1600, 1602, 1614, 1616, r1 = 98.0, r2 = 99.0, r3 = 159.0, r4 = 160.0, &end # 109 ILE PHI: (108 VAL C)-(109 ILE N)-(109 ILE CA)-(109 ILE C) -149.0 -89.0 &rst iat = 1614, 1616, 1618, 1633, r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0, &end # 109 ILE PSI: (109 ILE N)-(109 ILE CA)-(109 ILE C)-(110 PHE N) 108.0 168.0 &rst iat = 1616, 1618, 1633, 1635, r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0, &end # 110 PHE PHI: (109 ILE C)-(110 PHE N)-(110 PHE CA)-(110 PHE C) -156.0 -56.0 &rst iat = 1633, 1635, 1637, 1653, r1 = -157.0, r2 = -156.0, r3 = -56.0, r4 = -55.0, &end # 110 PHE PSI: (110 PHE N)-(110 PHE CA)-(110 PHE C)-(111 LEU N) 94.0 154.0 &rst iat = 1635, 1637, 1653, 1655, r1 = 93.0, r2 = 94.0, r3 = 154.0, r4 = 155.0, &end # 111 LEU PHI: (110 PHE C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -144.0 -84.0 &rst iat = 1653, 1655, 1657, 1672, r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0, &end # 111 LEU PSI: (111 LEU N)-(111 LEU CA)-(111 LEU C)-(112 GLY N) 104.0 164.0 &rst iat = 1655, 1657, 1672, 1674, r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0, &end # 112 GLY PHI: (111 LEU C)-(112 GLY N)-(112 GLY CA)-(112 GLY C) -144.0 -84.0 &rst iat = 1672, 1674, 1676, 1679, r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0, &end # 112 GLY PSI: (112 GLY N)-(112 GLY CA)-(112 GLY C)-(113 ILE N) 108.0 168.0 &rst iat = 1674, 1676, 1679, 1681, r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0, &end # 113 ILE PHI: (112 GLY C)-(113 ILE N)-(113 ILE CA)-(113 ILE C) -154.0 -94.0 &rst iat = 1679, 1681, 1683, 1698, r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0, &end # 113 ILE PSI: (113 ILE N)-(113 ILE CA)-(113 ILE C)-(114 GLN N) 109.0 169.0 &rst iat = 1681, 1683, 1698, 1700, r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0, &end # 124 MET PHI: (123 PRO C)-(124 MET N)-(124 MET CA)-(124 MET C) -118.0 -58.0 &rst iat = 1859, 1861, 1863, 1876, r1 = -119.0, r2 = -118.0, r3 = -58.0, r4 = -57.0, &end # 124 MET PSI: (124 MET N)-(124 MET CA)-(124 MET C)-(125 THR N) 98.0 158.0 &rst iat = 1861, 1863, 1876, 1878, r1 = 97.0, r2 = 98.0, r3 = 158.0, r4 = 159.0, &end # 126 GLN PHI: (125 THR C)-(126 GLN N)-(126 GLN CA)-(126 GLN C) -94.0 -34.0 &rst iat = 1890, 1892, 1894, 1907, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 126 GLN PSI: (126 GLN N)-(126 GLN CA)-(126 GLN C)-(127 PRO N) -64.0 -4.0 &rst iat = 1892, 1894, 1907, 1909, r1 = -65.0, r2 = -64.0, r3 = -4.0, r4 = -3.0, &end # 128 ILE PHI: (127 PRO C)-(128 ILE N)-(128 ILE CA)-(128 ILE C) -101.0 -41.0 &rst iat = 1921, 1923, 1925, 1940, r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0, &end # 128 ILE PSI: (128 ILE N)-(128 ILE CA)-(128 ILE C)-(129 LYS N) -69.0 -9.0 &rst iat = 1923, 1925, 1940, 1942, r1 = -70.0, r2 = -69.0, r3 = -9.0, r4 = -8.0, &end # 129 LYS PHI: (128 ILE C)-(129 LYS N)-(129 LYS CA)-(129 LYS C) -94.0 -34.0 &rst iat = 1940, 1942, 1944, 1962, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 129 LYS PSI: (129 LYS N)-(129 LYS CA)-(129 LYS C)-(130 ASP N) -69.0 -9.0 &rst iat = 1942, 1944, 1962, 1964, r1 = -70.0, r2 = -69.0, r3 = -9.0, r4 = -8.0, &end # 130 ASP PHI: (129 LYS C)-(130 ASP N)-(130 ASP CA)-(130 ASP C) -97.0 -37.0 &rst iat = 1962, 1964, 1966, 1974, r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0, &end # 130 ASP PSI: (130 ASP N)-(130 ASP CA)-(130 ASP C)-(131 ALA N) -66.0 -6.0 &rst iat = 1964, 1966, 1974, 1976, r1 = -67.0, r2 = -66.0, r3 = -6.0, r4 = -5.0, &end # 131 ALA PHI: (130 ASP C)-(131 ALA N)-(131 ALA CA)-(131 ALA C) -94.0 -34.0 &rst iat = 1974, 1976, 1978, 1984, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 131 ALA PSI: (131 ALA N)-(131 ALA CA)-(131 ALA C)-(132 VAL N) -75.0 -15.0 &rst iat = 1976, 1978, 1984, 1986, r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0, &end # 132 VAL PHI: (131 ALA C)-(132 VAL N)-(132 VAL CA)-(132 VAL C) -94.0 -34.0 &rst iat = 1984, 1986, 1988, 2000, r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0, &end # 132 VAL PSI: (132 VAL N)-(132 VAL CA)-(132 VAL C)-(133 GLU N) -69.0 -9.0 &rst iat = 1986, 1988, 2000, 2002, r1 = -70.0, r2 = -69.0, r3 = -9.0, r4 = -8.0, &end # 133 GLU PHI: (132 VAL C)-(133 GLU N)-(133 GLU CA)-(133 GLU C) -92.0 -32.0 &rst iat = 2000, 2002, 2004, 2015, r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0, &end # 133 GLU PSI: (133 GLU N)-(133 GLU CA)-(133 GLU C)-(134 THR N) -68.0 -8.0 &rst iat = 2002, 2004, 2015, 2017, r1 = -69.0, r2 = -68.0, r3 = -8.0, r4 = -7.0, &end # 134 THR PHI: (133 GLU C)-(134 THR N)-(134 THR CA)-(134 THR C) -96.0 -36.0 &rst iat = 2015, 2017, 2019, 2029, r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0, &end # 134 THR PSI: (134 THR N)-(134 THR CA)-(134 THR C)-(135 VAL N) -75.0 -15.0 &rst iat = 2017, 2019, 2029, 2031, r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0, &end # 135 VAL PHI: (134 THR C)-(135 VAL N)-(135 VAL CA)-(135 VAL C) -97.0 -37.0 &rst iat = 2029, 2031, 2033, 2045, r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0, &end # 135 VAL PSI: (135 VAL N)-(135 VAL CA)-(135 VAL C)-(136 TYR N) -73.0 -13.0 &rst iat = 2031, 2033, 2045, 2047, r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0, &end # 136 TYR PHI: (135 VAL C)-(136 TYR N)-(136 TYR CA)-(136 TYR C) -92.0 -32.0 &rst iat = 2045, 2047, 2049, 2066, r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0, &end # 136 TYR PSI: (136 TYR N)-(136 TYR CA)-(136 TYR C)-(137 GLN N) -73.0 -13.0 &rst iat = 2047, 2049, 2066, 2068, r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0, &end # 137 GLN PHI: (136 TYR C)-(137 GLN N)-(137 GLN CA)-(137 GLN C) -101.0 -41.0 &rst iat = 2066, 2068, 2070, 2083, r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0, &end # 137 GLN PSI: (137 GLN N)-(137 GLN CA)-(137 GLN C)-(138 ARG N) -61.0 -1.0 &rst iat = 2068, 2070, 2083, 2085, r1 = -62.0, r2 = -61.0, r3 = -1.0, r4 = 0.0, &end # 138 ARG PHI: (137 GLN C)-(138 ARG N)-(138 ARG CA)-(138 ARG C) -107.0 -47.0 &rst iat = 2083, 2085, 2087, 2107, r1 = -108.0, r2 = -107.0, r3 = -47.0, r4 = -46.0, &end # 138 ARG PSI: (138 ARG N)-(138 ARG CA)-(138 ARG C)-(139 LEU N) -60.0 0.0 &rst iat = 2085, 2087, 2107, 2109, r1 = -61.0, r2 = -60.0, r3 = 0.0, r4 = 1.0, &end # 149 ALA PHI: (148 PHE C)-(149 ALA N)-(149 ALA CA)-(149 ALA C) -127.0 -67.0 &rst iat = 2242, 2244, 2246, 2252, r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0, &end # 149 ALA PSI: (149 ALA N)-(149 ALA CA)-(149 ALA C)-(150 GLN N) 103.0 163.0 &rst iat = 2244, 2246, 2252, 2254, r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0, &end # 149 ALA PSI: (149 ALA N)-(149 ALA CA)-(149 ALA C)-(150 GLN N) 103.0 163.0 &rst iat = 2244, 2246, 2252, 2254, r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0, &end
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 1.403 0.222 -0.743 2 2H MET 1 H2 MET 1 2.330 -0.112 0.566 3 3H MET 1 H3 MET 1 0.724 -0.449 0.587 4 HA MET 1 HA MET 1 0.137 1.839 0.481 5 1HB MET 1 HB2 MET 1 2.142 1.338 2.722 6 2HB MET 1 HB3 MET 1 1.014 2.684 2.633 7 1HG MET 1 HG2 MET 1 0.270 -0.256 2.826 8 2HG MET 1 HG3 MET 1 0.169 0.952 4.099 9 1HE MET 1 HE1 MET 1 -3.593 0.140 3.427 10 2HE MET 1 HE2 MET 1 -2.220 -0.987 3.365 11 3HE MET 1 HE3 MET 1 -2.301 0.248 4.642 12 H THR 2 H THR 2 3.767 1.806 1.037 13 HA THR 2 HA THR 2 4.008 3.975 -0.959 14 HB THR 2 HB THR 2 5.198 4.197 1.842 15 HG1 THR 2 HG1 THR 2 3.050 4.474 2.148 16 1HG2 THR 2 HG21 THR 2 6.425 5.501 0.181 17 2HG2 THR 2 HG22 THR 2 4.911 6.198 -0.443 18 3HG2 THR 2 HG23 THR 2 5.479 6.600 1.191 19 H ASP 3 H ASP 3 6.169 4.004 -1.881 20 HA ASP 3 HA ASP 3 8.041 1.890 -0.994 21 1HB ASP 3 HB2 ASP 3 6.420 1.007 -2.754 22 2HB ASP 3 HB3 ASP 3 7.098 2.187 -3.877 23 H VAL 4 H VAL 4 10.078 2.789 -0.990 24 HA VAL 4 HA VAL 4 10.359 5.497 -2.164 25 HB VAL 4 HB VAL 4 12.097 5.654 -0.290 26 1HG1 VAL 4 HG11 VAL 4 10.392 6.208 1.460 27 2HG1 VAL 4 HG12 VAL 4 10.099 6.959 -0.106 28 3HG1 VAL 4 HG13 VAL 4 9.134 5.543 0.392 29 1HG2 VAL 4 HG21 VAL 4 10.499 3.416 0.978 30 2HG2 VAL 4 HG22 VAL 4 12.093 3.221 0.264 31 3HG2 VAL 4 HG23 VAL 4 11.894 4.288 1.652 32 H LEU 5 H LEU 5 12.392 6.109 -2.938 33 HA LEU 5 HA LEU 5 14.255 3.896 -3.690 34 1HB LEU 5 HB2 LEU 5 13.068 4.373 -5.693 35 2HB LEU 5 HB3 LEU 5 13.088 6.110 -5.395 36 HG LEU 5 HG LEU 5 15.552 6.165 -5.776 37 1HD1 LEU 5 HD11 LEU 5 16.665 4.215 -6.792 38 2HD1 LEU 5 HD12 LEU 5 16.153 3.851 -5.143 39 3HD1 LEU 5 HD13 LEU 5 15.215 3.226 -6.518 40 1HD2 LEU 5 HD21 LEU 5 15.428 5.820 -8.202 41 2HD2 LEU 5 HD22 LEU 5 13.920 4.893 -7.996 42 3HD2 LEU 5 HD23 LEU 5 13.973 6.623 -7.594 43 H LEU 6 H LEU 6 15.989 4.316 -2.411 44 HA LEU 6 HA LEU 6 16.646 7.119 -1.685 45 1HB LEU 6 HB2 LEU 6 16.362 5.576 0.176 46 2HB LEU 6 HB3 LEU 6 17.503 4.442 -0.562 47 HG LEU 6 HG LEU 6 19.341 6.086 -0.276 48 1HD1 LEU 6 HD11 LEU 6 18.978 8.069 1.188 49 2HD1 LEU 6 HD12 LEU 6 18.145 8.200 -0.363 50 3HD1 LEU 6 HD13 LEU 6 17.226 7.782 1.102 51 1HD2 LEU 6 HD21 LEU 6 17.771 5.422 2.239 52 2HD2 LEU 6 HD22 LEU 6 18.945 4.387 1.418 53 3HD2 LEU 6 HD23 LEU 6 19.488 5.886 2.183 54 H CYS 7 H CYS 7 17.681 7.866 -3.483 55 HA CYS 7 HA CYS 7 19.890 6.437 -4.766 56 1HB CYS 7 HB2 CYS 7 18.850 9.310 -4.741 57 2HB CYS 7 HB3 CYS 7 20.264 8.811 -5.655 58 HG CYS 7 HG CYS 7 18.312 8.864 -7.350 59 H VAL 8 H VAL 8 22.077 6.613 -4.196 60 HA VAL 8 HA VAL 8 22.881 8.551 -2.106 61 HB VAL 8 HB VAL 8 23.675 5.603 -2.129 62 1HG1 VAL 8 HG11 VAL 8 25.381 7.067 -1.138 63 2HG1 VAL 8 HG12 VAL 8 24.156 7.798 -0.073 64 3HG1 VAL 8 HG13 VAL 8 24.613 6.084 0.097 65 1HG2 VAL 8 HG21 VAL 8 21.374 5.610 -1.459 66 2HG2 VAL 8 HG22 VAL 8 22.357 5.382 -0.016 67 3HG2 VAL 8 HG23 VAL 8 21.636 6.975 -0.352 68 H GLY 9 H GLY 9 24.981 9.355 -2.497 69 1HA GLY 9 HA2 GLY 9 27.175 8.488 -3.701 70 2HA GLY 9 HA3 GLY 9 26.150 8.766 -5.118 71 H ASN 10 H ASN 10 28.389 10.247 -5.003 72 HA ASN 10 HA ASN 10 27.403 13.009 -4.384 73 1HB ASN 10 HB2 ASN 10 29.267 12.375 -2.919 74 2HB ASN 10 HB3 ASN 10 30.216 11.860 -4.293 75 1HD2 ASN 10 HD22 ASN 10 29.838 14.369 -2.154 76 2HD2 ASN 10 HD21 ASN 10 30.526 15.651 -3.129 77 H SER 11 H SER 11 27.009 14.109 -6.188 78 HA SER 11 HA SER 11 27.120 13.066 -8.691 79 1HB SER 11 HB2 SER 11 27.122 16.044 -8.153 80 2HB SER 11 HB3 SER 11 26.173 15.137 -9.343 81 HG SER 11 HG SER 11 24.939 15.804 -7.510 82 H MET 12 H MET 12 29.888 14.504 -7.152 83 HA MET 12 HA MET 12 31.195 14.862 -9.804 84 1HB MET 12 HB2 MET 12 32.345 16.821 -9.012 85 2HB MET 12 HB3 MET 12 30.606 17.075 -8.891 86 1HG MET 12 HG2 MET 12 30.664 16.693 -6.482 87 2HG MET 12 HG3 MET 12 32.371 16.240 -6.551 88 1HE MET 12 HE1 MET 12 32.972 17.847 -4.596 89 2HE MET 12 HE2 MET 12 32.506 19.561 -4.538 90 3HE MET 12 HE3 MET 12 31.256 18.300 -4.466 91 H MET 13 H MET 13 31.100 12.719 -7.468 92 HA MET 13 HA MET 13 33.998 12.681 -6.914 93 1HB MET 13 HB2 MET 13 32.353 12.618 -5.048 94 2HB MET 13 HB3 MET 13 31.838 11.029 -5.617 95 1HG MET 13 HG2 MET 13 34.186 10.215 -5.270 96 2HG MET 13 HG3 MET 13 34.617 11.828 -4.687 97 1HE MET 13 HE1 MET 13 35.629 10.767 -2.595 98 2HE MET 13 HE2 MET 13 34.793 9.634 -1.503 99 3HE MET 13 HE3 MET 13 35.181 9.145 -3.172 100 H GLY 14 H GLY 14 32.893 12.117 -9.606 101 1HA GLY 14 HA2 GLY 14 33.578 10.676 -11.263 102 2HA GLY 14 HA3 GLY 14 34.120 9.510 -10.055 103 H ASP 15 H ASP 15 33.091 7.785 -10.923 104 HA ASP 15 HA ASP 15 30.400 7.505 -11.779 105 1HB ASP 15 HB2 ASP 15 32.379 5.525 -10.605 106 2HB ASP 15 HB3 ASP 15 30.836 5.060 -11.288 107 H ASP 16 H ASP 16 31.751 7.811 -8.617 108 HA ASP 16 HA ASP 16 29.963 6.485 -6.944 109 1HB ASP 16 HB2 ASP 16 32.043 7.701 -6.302 110 2HB ASP 16 HB3 ASP 16 31.192 9.225 -6.588 111 H GLY 17 H GLY 17 29.392 9.352 -8.930 112 1HA GLY 17 HA2 GLY 17 27.088 10.351 -7.538 113 2HA GLY 17 HA3 GLY 17 27.597 10.744 -9.185 114 H ALA 18 H ALA 18 26.862 7.371 -8.209 115 HA ALA 18 HA ALA 18 25.262 7.022 -10.559 116 1HB ALA 18 HB1 ALA 18 25.633 5.306 -8.081 117 2HB ALA 18 HB2 ALA 18 24.801 4.784 -9.557 118 3HB ALA 18 HB3 ALA 18 26.533 5.182 -9.610 119 H GLY 19 H GLY 19 24.377 7.103 -7.058 120 1HA GLY 19 HA2 GLY 19 21.573 6.975 -7.414 121 2HA GLY 19 HA3 GLY 19 22.422 7.665 -6.026 122 HA PRO 20 HA PRO 20 21.640 11.848 -7.193 123 1HB PRO 20 HB2 PRO 20 24.399 12.217 -8.390 124 2HB PRO 20 HB3 PRO 20 23.444 13.350 -7.376 125 1HG PRO 20 HG2 PRO 20 25.366 11.790 -6.257 126 2HG PRO 20 HG3 PRO 20 23.806 12.025 -5.417 127 1HD PRO 20 HD2 PRO 20 24.763 9.635 -6.952 128 2HD PRO 20 HD3 PRO 20 23.694 9.726 -5.527 129 H LEU 21 H LEU 21 23.349 10.195 -10.001 130 HA LEU 21 HA LEU 21 22.033 11.917 -11.908 131 1HB LEU 21 HB2 LEU 21 24.143 10.791 -12.414 132 2HB LEU 21 HB3 LEU 21 23.398 9.214 -12.182 133 HG LEU 21 HG LEU 21 21.901 9.632 -14.144 134 1HD1 LEU 21 HD11 LEU 21 23.468 12.240 -14.368 135 2HD1 LEU 21 HD12 LEU 21 22.455 11.570 -15.661 136 3HD1 LEU 21 HD13 LEU 21 21.715 12.064 -14.137 137 1HD2 LEU 21 HD21 LEU 21 24.849 10.062 -14.751 138 2HD2 LEU 21 HD22 LEU 21 24.070 8.499 -14.438 139 3HD2 LEU 21 HD23 LEU 21 23.622 9.431 -15.874 140 H LEU 22 H LEU 22 21.306 8.701 -10.475 141 HA LEU 22 HA LEU 22 19.010 8.156 -12.080 142 1HB LEU 22 HB2 LEU 22 20.138 6.445 -10.687 143 2HB LEU 22 HB3 LEU 22 19.699 7.312 -9.228 144 HG LEU 22 HG LEU 22 17.327 6.932 -9.625 145 1HD1 LEU 22 HD11 LEU 22 17.168 6.867 -12.058 146 2HD1 LEU 22 HD12 LEU 22 18.272 5.469 -12.147 147 3HD1 LEU 22 HD13 LEU 22 16.647 5.301 -11.457 148 1HD2 LEU 22 HD21 LEU 22 17.307 4.496 -9.259 149 2HD2 LEU 22 HD22 LEU 22 18.959 4.374 -9.897 150 3HD2 LEU 22 HD23 LEU 22 18.646 5.252 -8.380 151 H ALA 23 H ALA 23 19.387 9.783 -8.918 152 HA ALA 23 HA ALA 23 16.673 10.373 -8.418 153 1HB ALA 23 HB1 ALA 23 18.453 10.657 -6.693 154 2HB ALA 23 HB2 ALA 23 19.149 11.991 -7.632 155 3HB ALA 23 HB3 ALA 23 17.534 12.147 -6.919 156 H GLU 24 H GLU 24 19.119 12.252 -10.292 157 HA GLU 24 HA GLU 24 17.453 14.512 -10.761 158 1HB GLU 24 HB2 GLU 24 19.813 14.651 -11.151 159 2HB GLU 24 HB3 GLU 24 19.792 13.303 -12.292 160 1HG GLU 24 HG2 GLU 24 18.554 14.577 -13.925 161 2HG GLU 24 HG3 GLU 24 18.304 15.907 -12.785 162 H LYS 25 H LYS 25 17.981 11.541 -12.658 163 HA LYS 25 HA LYS 25 16.201 12.218 -14.790 164 1HB LYS 25 HB2 LYS 25 17.290 9.603 -13.689 165 2HB LYS 25 HB3 LYS 25 16.261 9.678 -15.135 166 1HG LYS 25 HG2 LYS 25 17.859 11.002 -16.334 167 2HG LYS 25 HG3 LYS 25 18.883 11.195 -14.901 168 1HD LYS 25 HD2 LYS 25 19.313 8.781 -14.825 169 2HD LYS 25 HD3 LYS 25 18.265 8.505 -16.222 170 1HE LYS 25 HE2 LYS 25 20.734 10.299 -16.282 171 2HE LYS 25 HE3 LYS 25 20.778 8.574 -16.675 172 1HZ LYS 25 HZ1 LYS 25 20.546 9.933 -18.659 173 2HZ LYS 25 HZ2 LYS 25 19.258 8.945 -18.474 174 3HZ LYS 25 HZ3 LYS 25 19.128 10.553 -18.136 175 H CYS 26 H CYS 26 15.614 10.194 -11.830 176 HA CYS 26 HA CYS 26 12.864 9.737 -12.412 177 1HB CYS 26 HB2 CYS 26 14.382 9.803 -9.770 178 2HB CYS 26 HB3 CYS 26 12.703 9.249 -9.950 179 HG CYS 26 HG CYS 26 14.282 7.169 -9.772 180 H ALA 27 H ALA 27 14.446 12.445 -10.574 181 HA ALA 27 HA ALA 27 12.018 13.645 -9.763 182 1HB ALA 27 HB1 ALA 27 14.190 14.264 -8.801 183 2HB ALA 27 HB2 ALA 27 14.711 14.944 -10.361 184 3HB ALA 27 HB3 ALA 27 13.374 15.691 -9.465 185 H ALA 28 H ALA 28 13.950 14.016 -12.779 186 HA ALA 28 HA ALA 28 12.345 16.074 -13.901 187 1HB ALA 28 HB1 ALA 28 14.111 14.004 -15.275 188 2HB ALA 28 HB2 ALA 28 13.505 15.507 -15.996 189 3HB ALA 28 HB3 ALA 28 14.648 15.578 -14.640 190 H ALA 29 H ALA 29 12.069 12.543 -13.906 191 HA ALA 29 HA ALA 29 9.418 12.611 -15.197 192 1HB ALA 29 HB1 ALA 29 11.885 11.336 -16.425 193 2HB ALA 29 HB2 ALA 29 10.211 10.989 -16.938 194 3HB ALA 29 HB3 ALA 29 10.883 12.620 -17.124 195 HA PRO 30 HA PRO 30 9.797 9.703 -11.652 196 1HB PRO 30 HB2 PRO 30 6.811 9.802 -12.140 197 2HB PRO 30 HB3 PRO 30 7.693 9.721 -10.579 198 1HG PRO 30 HG2 PRO 30 6.758 12.097 -11.466 199 2HG PRO 30 HG3 PRO 30 8.417 11.995 -10.789 200 1HD PRO 30 HD2 PRO 30 7.572 12.070 -13.690 201 2HD PRO 30 HD3 PRO 30 8.930 12.909 -12.878 202 H LYS 31 H LYS 31 9.129 7.489 -11.230 203 HA LYS 31 HA LYS 31 8.196 5.834 -13.487 204 1HB LYS 31 HB2 LYS 31 10.747 5.307 -11.853 205 2HB LYS 31 HB3 LYS 31 10.069 4.201 -13.028 206 1HG LYS 31 HG2 LYS 31 11.106 6.990 -13.723 207 2HG LYS 31 HG3 LYS 31 12.070 5.534 -13.808 208 1HD LYS 31 HD2 LYS 31 10.735 4.565 -15.522 209 2HD LYS 31 HD3 LYS 31 9.449 5.769 -15.353 210 1HE LYS 31 HE2 LYS 31 12.291 6.463 -16.159 211 2HE LYS 31 HE3 LYS 31 11.036 6.044 -17.333 212 1HZ LYS 31 HZ1 LYS 31 10.810 8.312 -15.426 213 2HZ LYS 31 HZ2 LYS 31 11.256 8.447 -16.987 214 3HZ LYS 31 HZ3 LYS 31 9.740 7.919 -16.599 215 H GLY 32 H GLY 32 7.374 3.826 -12.668 216 1HA GLY 32 HA2 GLY 32 6.061 2.592 -11.272 217 2HA GLY 32 HA3 GLY 32 7.635 2.393 -10.515 218 H ASN 33 H ASN 33 5.763 5.400 -10.276 219 HA ASN 33 HA ASN 33 5.324 6.676 -8.516 220 1HB ASN 33 HB2 ASN 33 3.332 5.007 -8.693 221 2HB ASN 33 HB3 ASN 33 3.936 4.352 -7.175 222 1HD2 ASN 33 HD22 ASN 33 4.354 6.186 -5.427 223 2HD2 ASN 33 HD21 ASN 33 3.093 7.409 -5.315 224 H TRP 34 H TRP 34 7.973 5.558 -8.356 225 HA TRP 34 HA TRP 34 8.479 4.752 -5.600 226 1HB TRP 34 HB2 TRP 34 10.418 5.955 -7.618 227 2HB TRP 34 HB3 TRP 34 10.824 5.160 -6.106 228 HD1 TRP 34 HD1 TRP 34 10.047 4.516 -9.686 229 HE1 TRP 34 HE1 TRP 34 10.116 2.029 -10.273 230 HE3 TRP 34 HE3 TRP 34 10.870 2.620 -4.998 231 HZ2 TRP 34 HZ2 TRP 34 10.848 -0.364 -8.982 232 HZ3 TRP 34 HZ3 TRP 34 11.404 0.222 -4.738 233 HH2 TRP 34 HH2 TRP 34 11.397 -1.303 -6.701 234 H VAL 35 H VAL 35 8.568 6.100 -3.887 235 HA VAL 35 HA VAL 35 8.568 9.025 -4.231 236 HB VAL 35 HB VAL 35 8.670 7.269 -1.747 237 1HG1 VAL 35 HG11 VAL 35 9.659 9.488 -1.285 238 2HG1 VAL 35 HG12 VAL 35 8.268 10.287 -2.050 239 3HG1 VAL 35 HG13 VAL 35 8.061 9.375 -0.543 240 1HG2 VAL 35 HG21 VAL 35 6.313 8.008 -1.454 241 2HG2 VAL 35 HG22 VAL 35 6.373 8.789 -3.047 242 3HG2 VAL 35 HG23 VAL 35 6.534 7.024 -2.903 243 H VAL 36 H VAL 36 10.476 9.302 -5.429 244 HA VAL 36 HA VAL 36 12.985 8.185 -4.671 245 HB VAL 36 HB VAL 36 12.525 8.837 -6.923 246 1HG1 VAL 36 HG11 VAL 36 11.100 10.822 -6.647 247 2HG1 VAL 36 HG12 VAL 36 12.493 11.751 -6.052 248 3HG1 VAL 36 HG13 VAL 36 12.460 11.150 -7.722 249 1HG2 VAL 36 HG21 VAL 36 14.785 10.550 -5.828 250 2HG2 VAL 36 HG22 VAL 36 14.870 8.803 -6.145 251 3HG2 VAL 36 HG23 VAL 36 14.605 9.935 -7.479 252 H ILE 37 H ILE 37 14.603 8.924 -3.429 253 HA ILE 37 HA ILE 37 14.479 11.473 -1.941 254 HB ILE 37 HB ILE 37 14.805 8.632 -0.834 255 1HG1 ILE 37 HG12 ILE 37 12.849 10.817 0.031 256 2HG1 ILE 37 HG13 ILE 37 12.436 9.489 -1.054 257 1HG2 ILE 37 HG21 ILE 37 15.244 11.248 0.672 258 2HG2 ILE 37 HG22 ILE 37 15.324 9.611 1.359 259 3HG2 ILE 37 HG23 ILE 37 16.522 10.114 0.186 260 1HD1 ILE 37 HD11 ILE 37 12.994 7.863 0.756 261 2HD1 ILE 37 HD12 ILE 37 13.172 9.245 1.872 262 3HD1 ILE 37 HD13 ILE 37 11.617 8.927 1.102 263 H ASP 38 H ASP 38 16.691 12.215 -1.632 264 HA ASP 38 HA ASP 38 18.828 10.556 -2.907 265 1HB ASP 38 HB2 ASP 38 18.336 12.200 -4.545 266 2HB ASP 38 HB3 ASP 38 18.266 13.491 -3.338 267 H GLY 39 H GLY 39 20.037 9.953 -1.295 268 1HA GLY 39 HA2 GLY 39 20.237 11.217 1.257 269 2HA GLY 39 HA3 GLY 39 21.232 9.902 0.606 270 H GLY 40 H GLY 40 21.882 11.913 -1.775 271 1HA GLY 40 HA2 GLY 40 23.513 13.389 -2.283 272 2HA GLY 40 HA3 GLY 40 22.960 14.242 -0.823 273 H SER 41 H SER 41 24.641 11.138 -1.075 274 HA SER 41 HA SER 41 26.402 10.226 -0.165 275 1HB SER 41 HB2 SER 41 28.569 11.385 -0.156 276 2HB SER 41 HB3 SER 41 27.675 11.469 -1.664 277 HG SER 41 HG SER 41 26.944 13.603 -0.444 278 H ALA 42 H ALA 42 24.465 11.883 1.658 279 HA ALA 42 HA ALA 42 25.805 10.943 4.115 280 1HB ALA 42 HB1 ALA 42 26.259 13.374 4.073 281 2HB ALA 42 HB2 ALA 42 24.528 13.705 3.833 282 3HB ALA 42 HB3 ALA 42 25.095 12.969 5.348 283 HA PRO 43 HA PRO 43 21.396 9.902 2.917 284 1HB PRO 43 HB2 PRO 43 21.435 7.178 2.944 285 2HB PRO 43 HB3 PRO 43 22.116 8.123 1.595 286 1HG PRO 43 HG2 PRO 43 23.635 7.005 3.981 287 2HG PRO 43 HG3 PRO 43 23.999 6.765 2.246 288 1HD PRO 43 HD2 PRO 43 25.232 8.719 3.658 289 2HD PRO 43 HD3 PRO 43 24.679 9.033 1.986 290 H GLU 44 H GLU 44 23.309 8.973 5.723 291 HA GLU 44 HA GLU 44 21.285 7.810 7.284 292 1HB GLU 44 HB2 GLU 44 22.664 8.451 9.228 293 2HB GLU 44 HB3 GLU 44 23.500 7.583 7.953 294 1HG GLU 44 HG2 GLU 44 25.025 9.178 8.718 295 2HG GLU 44 HG3 GLU 44 24.488 9.744 7.147 296 H ASN 45 H ASN 45 21.873 11.194 6.558 297 HA ASN 45 HA ASN 45 20.196 12.357 8.495 298 1HB ASN 45 HB2 ASN 45 20.505 14.301 7.384 299 2HB ASN 45 HB3 ASN 45 21.755 13.392 6.541 300 1HD2 ASN 45 HD22 ASN 45 21.247 12.599 4.322 301 2HD2 ASN 45 HD21 ASN 45 19.774 13.105 3.489 302 H ASP 46 H ASP 46 19.356 10.567 5.600 303 HA ASP 46 HA ASP 46 16.606 11.657 5.532 304 1HB ASP 46 HB2 ASP 46 18.356 10.182 3.575 305 2HB ASP 46 HB3 ASP 46 16.615 10.026 3.423 306 H ILE 47 H ILE 47 18.140 9.089 7.094 307 HA ILE 47 HA ILE 47 16.255 6.982 6.878 308 HB ILE 47 HB ILE 47 17.972 7.944 9.199 309 1HG1 ILE 47 HG12 ILE 47 18.324 5.580 7.290 310 2HG1 ILE 47 HG13 ILE 47 19.113 7.138 7.076 311 1HG2 ILE 47 HG21 ILE 47 16.075 6.592 10.091 312 2HG2 ILE 47 HG22 ILE 47 16.537 5.262 9.008 313 3HG2 ILE 47 HG23 ILE 47 17.621 5.799 10.308 314 1HD1 ILE 47 HD11 ILE 47 20.209 6.852 9.328 315 2HD1 ILE 47 HD12 ILE 47 19.572 5.189 9.356 316 3HD1 ILE 47 HD13 ILE 47 20.707 5.678 8.097 317 H VAL 48 H VAL 48 16.185 9.978 8.881 318 HA VAL 48 HA VAL 48 13.774 9.356 10.255 319 HB VAL 48 HB VAL 48 14.921 12.085 9.514 320 1HG1 VAL 48 HG11 VAL 48 13.738 12.883 11.543 321 2HG1 VAL 48 HG12 VAL 48 12.602 12.256 10.345 322 3HG1 VAL 48 HG13 VAL 48 13.022 11.271 11.763 323 1HG2 VAL 48 HG21 VAL 48 15.441 10.325 11.955 324 2HG2 VAL 48 HG22 VAL 48 16.628 10.787 10.714 325 3HG2 VAL 48 HG23 VAL 48 15.961 12.015 11.784 326 H ALA 49 H ALA 49 14.375 10.905 7.069 327 HA ALA 49 HA ALA 49 11.683 11.781 6.680 328 1HB ALA 49 HB1 ALA 49 13.847 11.181 4.618 329 2HB ALA 49 HB2 ALA 49 12.368 12.116 4.344 330 3HB ALA 49 HB3 ALA 49 13.611 12.742 5.447 331 H ILE 50 H ILE 50 13.520 8.928 5.591 332 HA ILE 50 HA ILE 50 11.423 7.556 4.269 333 HB ILE 50 HB ILE 50 13.828 6.490 5.817 334 1HG1 ILE 50 HG12 ILE 50 13.502 6.750 2.797 335 2HG1 ILE 50 HG13 ILE 50 14.212 8.037 3.756 336 1HG2 ILE 50 HG21 ILE 50 12.123 4.716 5.525 337 2HG2 ILE 50 HG22 ILE 50 12.026 5.096 3.796 338 3HG2 ILE 50 HG23 ILE 50 13.506 4.404 4.482 339 1HD1 ILE 50 HD11 ILE 50 15.330 5.230 3.448 340 2HD1 ILE 50 HD12 ILE 50 15.985 6.755 2.835 341 3HD1 ILE 50 HD13 ILE 50 15.965 6.453 4.579 342 H ARG 51 H ARG 51 12.400 7.500 7.754 343 HA ARG 51 HA ARG 51 10.544 5.515 8.539 344 1HB ARG 51 HB2 ARG 51 11.957 7.730 10.059 345 2HB ARG 51 HB3 ARG 51 10.775 6.694 10.857 346 1HG ARG 51 HG2 ARG 51 12.031 4.687 10.323 347 2HG ARG 51 HG3 ARG 51 13.217 5.621 9.395 348 1HD ARG 51 HD2 ARG 51 13.916 6.832 11.393 349 2HD ARG 51 HD3 ARG 51 12.630 6.061 12.346 350 HE ARG 51 HE ARG 51 14.304 4.054 11.173 351 1HH1 ARG 51 HH21 ARG 51 14.367 6.483 13.775 352 2HH1 ARG 51 HH22 ARG 51 15.403 5.556 14.794 353 1HH2 ARG 51 HH11 ARG 51 15.620 2.840 12.501 354 2HH2 ARG 51 HH12 ARG 51 16.145 3.413 14.059 355 H GLU 52 H GLU 52 10.018 9.066 8.240 356 HA GLU 52 HA GLU 52 7.504 9.139 9.509 357 1HB GLU 52 HB2 GLU 52 8.550 10.700 7.111 358 2HB GLU 52 HB3 GLU 52 7.008 11.048 7.873 359 1HG GLU 52 HG2 GLU 52 9.675 11.158 9.327 360 2HG GLU 52 HG3 GLU 52 8.869 12.532 8.585 361 H LEU 53 H LEU 53 8.352 7.870 6.299 362 HA LEU 53 HA LEU 53 5.588 7.791 5.416 363 1HB LEU 53 HB2 LEU 53 8.110 6.664 4.149 364 2HB LEU 53 HB3 LEU 53 6.550 6.850 3.362 365 HG LEU 53 HG LEU 53 8.336 9.116 4.347 366 1HD1 LEU 53 HD11 LEU 53 8.643 9.593 1.946 367 2HD1 LEU 53 HD12 LEU 53 9.254 8.002 2.401 368 3HD1 LEU 53 HD13 LEU 53 7.704 8.135 1.539 369 1HD2 LEU 53 HD21 LEU 53 5.676 9.246 2.872 370 2HD2 LEU 53 HD22 LEU 53 6.023 9.840 4.517 371 3HD2 LEU 53 HD23 LEU 53 6.781 10.617 3.131 372 H ARG 54 H ARG 54 7.498 5.748 7.348 373 HA ARG 54 HA ARG 54 7.822 3.485 7.536 374 1HB ARG 54 HB2 ARG 54 4.829 3.746 7.985 375 2HB ARG 54 HB3 ARG 54 5.815 2.350 8.441 376 1HG ARG 54 HG2 ARG 54 7.243 3.886 9.863 377 2HG ARG 54 HG3 ARG 54 6.095 5.188 9.501 378 1HD ARG 54 HD2 ARG 54 5.528 4.259 11.642 379 2HD ARG 54 HD3 ARG 54 4.262 3.825 10.480 380 HE ARG 54 HE ARG 54 6.350 1.797 10.727 381 1HH1 ARG 54 HH21 ARG 54 3.327 2.982 12.198 382 2HH1 ARG 54 HH22 ARG 54 2.926 1.474 12.931 383 1HH2 ARG 54 HH11 ARG 54 5.849 -0.183 11.738 384 2HH2 ARG 54 HH12 ARG 54 4.383 -0.376 12.652 385 HA PRO 55 HA PRO 55 6.476 2.803 3.123 386 1HB PRO 55 HB2 PRO 55 9.267 1.703 2.897 387 2HB PRO 55 HB3 PRO 55 8.352 2.727 1.743 388 1HG PRO 55 HG2 PRO 55 10.282 3.771 3.351 389 2HG PRO 55 HG3 PRO 55 8.765 4.674 3.031 390 1HD PRO 55 HD2 PRO 55 9.538 3.051 5.458 391 2HD PRO 55 HD3 PRO 55 8.716 4.615 5.354 392 H THR 56 H THR 56 5.915 0.953 1.970 393 HA THR 56 HA THR 56 5.784 -1.591 3.316 394 HB THR 56 HB THR 56 5.325 -0.960 0.374 395 HG1 THR 56 HG1 THR 56 3.689 -0.398 2.613 396 1HG2 THR 56 HG21 THR 56 3.932 -2.897 2.272 397 2HG2 THR 56 HG22 THR 56 3.551 -2.652 0.552 398 3HG2 THR 56 HG23 THR 56 5.114 -3.340 1.020 399 H ARG 57 H ARG 57 7.837 -0.068 0.810 400 HA ARG 57 HA ARG 57 9.858 -2.166 1.218 401 1HB ARG 57 HB2 ARG 57 8.897 -1.399 -1.554 402 2HB ARG 57 HB3 ARG 57 10.258 -2.458 -1.188 403 1HG ARG 57 HG2 ARG 57 8.597 -4.035 -0.086 404 2HG ARG 57 HG3 ARG 57 7.305 -3.028 -0.762 405 1HD ARG 57 HD2 ARG 57 9.451 -4.551 -2.300 406 2HD ARG 57 HD3 ARG 57 7.717 -4.915 -2.239 407 HE ARG 57 HE ARG 57 8.256 -2.229 -3.234 408 1HH1 ARG 57 HH21 ARG 57 8.149 -5.630 -4.313 409 2HH1 ARG 57 HH22 ARG 57 7.989 -5.201 -5.988 410 1HH2 ARG 57 HH11 ARG 57 8.036 -1.698 -5.278 411 2HH2 ARG 57 HH12 ARG 57 7.877 -2.875 -6.575 412 H LEU 58 H LEU 58 11.926 -1.546 0.195 413 HA LEU 58 HA LEU 58 12.285 1.288 -0.549 414 1HB LEU 58 HB2 LEU 58 12.672 1.406 1.826 415 2HB LEU 58 HB3 LEU 58 13.517 -0.137 1.826 416 HG LEU 58 HG LEU 58 15.449 0.836 0.713 417 1HD1 LEU 58 HD11 LEU 58 14.307 2.784 -0.486 418 2HD1 LEU 58 HD12 LEU 58 14.213 3.595 1.091 419 3HD1 LEU 58 HD13 LEU 58 15.778 3.183 0.390 420 1HD2 LEU 58 HD21 LEU 58 16.232 2.179 2.629 421 2HD2 LEU 58 HD22 LEU 58 14.552 2.400 3.166 422 3HD2 LEU 58 HD23 LEU 58 15.288 0.792 3.193 423 H LEU 59 H LEU 59 13.926 1.554 -1.979 424 HA LEU 59 HA LEU 59 15.719 -0.723 -2.640 425 1HB LEU 59 HB2 LEU 59 14.020 -0.663 -4.386 426 2HB LEU 59 HB3 LEU 59 14.137 1.095 -4.502 427 HG LEU 59 HG LEU 59 16.423 0.929 -5.411 428 1HD1 LEU 59 HD11 LEU 59 15.997 -2.088 -5.269 429 2HD1 LEU 59 HD12 LEU 59 17.319 -1.277 -6.137 430 3HD1 LEU 59 HD13 LEU 59 17.228 -1.164 -4.383 431 1HD2 LEU 59 HD21 LEU 59 14.402 -0.816 -6.873 432 2HD2 LEU 59 HD22 LEU 59 14.478 0.951 -6.926 433 3HD2 LEU 59 HD23 LEU 59 15.806 -0.008 -7.601 434 H ILE 60 H ILE 60 17.828 -0.018 -2.638 435 HA ILE 60 HA ILE 60 18.327 2.906 -2.488 436 HB ILE 60 HB ILE 60 19.879 0.637 -1.228 437 1HG1 ILE 60 HG12 ILE 60 18.051 2.478 0.356 438 2HG1 ILE 60 HG13 ILE 60 17.505 0.917 -0.239 439 1HG2 ILE 60 HG21 ILE 60 20.927 2.472 0.133 440 2HG2 ILE 60 HG22 ILE 60 21.193 2.709 -1.591 441 3HG2 ILE 60 HG23 ILE 60 19.954 3.656 -0.748 442 1HD1 ILE 60 HD11 ILE 60 19.829 1.286 1.657 443 2HD1 ILE 60 HD12 ILE 60 18.203 0.694 2.033 444 3HD1 ILE 60 HD13 ILE 60 19.250 -0.250 0.955 445 H VAL 61 H VAL 61 20.108 3.683 -3.776 446 HA VAL 61 HA VAL 61 21.424 1.683 -5.538 447 HB VAL 61 HB VAL 61 19.968 4.154 -6.560 448 1HG1 VAL 61 HG11 VAL 61 21.557 1.946 -7.924 449 2HG1 VAL 61 HG12 VAL 61 20.472 3.036 -8.809 450 3HG1 VAL 61 HG13 VAL 61 21.872 3.690 -7.959 451 1HG2 VAL 61 HG21 VAL 61 19.174 1.223 -6.778 452 2HG2 VAL 61 HG22 VAL 61 18.277 2.514 -5.962 453 3HG2 VAL 61 HG23 VAL 61 18.444 2.541 -7.716 454 H ASP 62 H ASP 62 23.504 2.118 -5.937 455 HA ASP 62 HA ASP 62 24.687 4.747 -6.016 456 1HB ASP 62 HB2 ASP 62 24.522 4.239 -3.549 457 2HB ASP 62 HB3 ASP 62 25.558 2.841 -3.817 458 H ALA 63 H ALA 63 27.226 4.227 -6.276 459 HA ALA 63 HA ALA 63 27.615 1.969 -8.127 460 1HB ALA 63 HB1 ALA 63 29.938 2.808 -8.209 461 2HB ALA 63 HB2 ALA 63 28.787 4.112 -8.547 462 3HB ALA 63 HB3 ALA 63 29.567 4.003 -6.948 463 H THR 64 H THR 64 29.249 0.277 -7.567 464 HA THR 64 HA THR 64 30.148 0.050 -4.799 465 HB THR 64 HB THR 64 28.507 -2.260 -5.918 466 HG1 THR 64 HG1 THR 64 27.614 0.015 -4.591 467 1HG2 THR 64 HG21 THR 64 29.367 -1.457 -3.102 468 2HG2 THR 64 HG22 THR 64 28.363 -2.866 -3.506 469 3HG2 THR 64 HG23 THR 64 30.038 -2.785 -4.076 470 H ASP 65 H ASP 65 32.214 -0.885 -4.931 471 HA ASP 65 HA ASP 65 33.113 -1.900 -7.527 472 1HB ASP 65 HB2 ASP 65 34.715 -0.689 -6.152 473 2HB ASP 65 HB3 ASP 65 34.504 -1.853 -4.830 474 H MET 66 H MET 66 32.803 -3.891 -8.202 475 HA MET 66 HA MET 66 32.228 -6.096 -6.278 476 1HB MET 66 HB2 MET 66 31.033 -5.409 -9.007 477 2HB MET 66 HB3 MET 66 30.731 -6.919 -8.137 478 1HG MET 66 HG2 MET 66 29.808 -5.712 -6.229 479 2HG MET 66 HG3 MET 66 30.113 -4.164 -6.996 480 1HE MET 66 HE1 MET 66 29.309 -4.101 -9.777 481 2HE MET 66 HE2 MET 66 27.546 -3.834 -9.785 482 3HE MET 66 HE3 MET 66 28.583 -2.974 -8.619 483 H GLY 67 H GLY 67 34.611 -4.962 -8.327 484 1HA GLY 67 HA2 GLY 67 36.341 -5.921 -9.453 485 2HA GLY 67 HA3 GLY 67 35.930 -7.483 -8.719 486 H LEU 68 H LEU 68 33.582 -5.642 -10.621 487 HA LEU 68 HA LEU 68 33.502 -7.793 -12.686 488 1HB LEU 68 HB2 LEU 68 31.489 -5.643 -11.898 489 2HB LEU 68 HB3 LEU 68 31.254 -6.801 -13.200 490 HG LEU 68 HG LEU 68 31.550 -7.541 -10.287 491 1HD1 LEU 68 HD11 LEU 68 29.426 -6.351 -10.805 492 2HD1 LEU 68 HD12 LEU 68 29.081 -7.550 -12.068 493 3HD1 LEU 68 HD13 LEU 68 29.157 -8.043 -10.362 494 1HD2 LEU 68 HD21 LEU 68 30.754 -9.778 -11.006 495 2HD2 LEU 68 HD22 LEU 68 30.877 -9.268 -12.705 496 3HD2 LEU 68 HD23 LEU 68 32.332 -9.385 -11.684 497 H ASN 69 H ASN 69 32.365 -6.475 -14.705 498 HA ASN 69 HA ASN 69 34.518 -4.797 -15.844 499 1HB ASN 69 HB2 ASN 69 33.285 -6.507 -17.220 500 2HB ASN 69 HB3 ASN 69 31.801 -5.582 -17.006 501 1HD2 ASN 69 HD22 ASN 69 31.731 -3.296 -18.010 502 2HD2 ASN 69 HD21 ASN 69 32.758 -3.037 -19.387 503 HA PRO 70 HA PRO 70 32.644 -0.901 -14.449 504 1HB PRO 70 HB2 PRO 70 33.229 -0.142 -17.324 505 2HB PRO 70 HB3 PRO 70 33.390 0.860 -15.847 506 1HG PRO 70 HG2 PRO 70 35.574 -0.347 -16.867 507 2HG PRO 70 HG3 PRO 70 35.278 -0.449 -15.101 508 1HD PRO 70 HD2 PRO 70 34.745 -2.541 -17.207 509 2HD PRO 70 HD3 PRO 70 35.408 -2.737 -15.556 510 H GLY 71 H GLY 71 30.569 -0.192 -14.350 511 1HA GLY 71 HA2 GLY 71 28.449 0.352 -14.996 512 2HA GLY 71 HA3 GLY 71 28.829 -0.100 -16.657 513 H GLU 72 H GLU 72 29.647 -2.843 -14.776 514 HA GLU 72 HA GLU 72 27.239 -4.296 -15.437 515 1HB GLU 72 HB2 GLU 72 29.664 -4.816 -13.674 516 2HB GLU 72 HB3 GLU 72 28.268 -5.871 -13.582 517 1HG GLU 72 HG2 GLU 72 29.693 -5.267 -16.197 518 2HG GLU 72 HG3 GLU 72 30.083 -6.646 -15.167 519 H ILE 73 H ILE 73 25.658 -4.993 -14.000 520 HA ILE 73 HA ILE 73 25.122 -3.183 -11.686 521 HB ILE 73 HB ILE 73 23.246 -4.359 -13.796 522 1HG1 ILE 73 HG12 ILE 73 23.885 -1.424 -13.274 523 2HG1 ILE 73 HG13 ILE 73 24.646 -2.375 -14.543 524 1HG2 ILE 73 HG21 ILE 73 22.089 -4.295 -11.655 525 2HG2 ILE 73 HG22 ILE 73 22.659 -2.638 -11.360 526 3HG2 ILE 73 HG23 ILE 73 21.479 -2.988 -12.644 527 1HD1 ILE 73 HD11 ILE 73 22.893 -1.105 -15.542 528 2HD1 ILE 73 HD12 ILE 73 22.428 -2.810 -15.571 529 3HD1 ILE 73 HD13 ILE 73 21.693 -1.691 -14.393 530 H ARG 74 H ARG 74 24.342 -4.245 -9.800 531 HA ARG 74 HA ARG 74 23.346 -6.992 -10.074 532 1HB ARG 74 HB2 ARG 74 25.648 -6.273 -8.207 533 2HB ARG 74 HB3 ARG 74 24.677 -7.725 -8.058 534 1HG ARG 74 HG2 ARG 74 26.446 -7.092 -10.440 535 2HG ARG 74 HG3 ARG 74 26.852 -8.160 -9.098 536 1HD ARG 74 HD2 ARG 74 24.891 -9.595 -9.622 537 2HD ARG 74 HD3 ARG 74 24.525 -8.589 -11.024 538 HE ARG 74 HE ARG 74 26.613 -10.609 -10.741 539 1HH1 ARG 74 HH21 ARG 74 25.692 -7.726 -12.666 540 2HH1 ARG 74 HH22 ARG 74 26.782 -8.150 -13.972 541 1HH2 ARG 74 HH11 ARG 74 27.880 -11.128 -12.354 542 2HH2 ARG 74 HH12 ARG 74 28.032 -10.172 -13.826 543 H ILE 75 H ILE 75 21.981 -7.597 -8.432 544 HA ILE 75 HA ILE 75 20.994 -5.572 -6.530 545 HB ILE 75 HB ILE 75 20.342 -8.523 -7.002 546 1HG1 ILE 75 HG12 ILE 75 19.699 -7.218 -8.916 547 2HG1 ILE 75 HG13 ILE 75 18.278 -7.762 -8.056 548 1HG2 ILE 75 HG21 ILE 75 18.904 -6.535 -5.202 549 2HG2 ILE 75 HG22 ILE 75 18.270 -8.127 -5.694 550 3HG2 ILE 75 HG23 ILE 75 19.735 -8.021 -4.715 551 1HD1 ILE 75 HD11 ILE 75 19.456 -4.948 -7.955 552 2HD1 ILE 75 HD12 ILE 75 17.987 -5.451 -8.800 553 3HD1 ILE 75 HD13 ILE 75 18.034 -5.486 -7.031 554 H ILE 76 H ILE 76 21.407 -5.696 -4.277 555 HA ILE 76 HA ILE 76 23.248 -7.789 -3.315 556 HB ILE 76 HB ILE 76 23.803 -5.032 -2.312 557 1HG1 ILE 76 HG12 ILE 76 24.923 -5.955 -4.991 558 2HG1 ILE 76 HG13 ILE 76 23.879 -4.556 -4.708 559 1HG2 ILE 76 HG21 ILE 76 26.055 -5.995 -1.984 560 2HG2 ILE 76 HG22 ILE 76 24.886 -7.159 -1.407 561 3HG2 ILE 76 HG23 ILE 76 25.626 -7.394 -2.990 562 1HD1 ILE 76 HD11 ILE 76 26.760 -4.868 -3.785 563 2HD1 ILE 76 HD12 ILE 76 26.114 -3.759 -4.985 564 3HD1 ILE 76 HD13 ILE 76 25.683 -3.541 -3.276 565 H ASP 77 H ASP 77 23.286 -7.693 -0.831 566 HA ASP 77 HA ASP 77 20.600 -7.119 0.302 567 1HB ASP 77 HB2 ASP 77 20.598 -9.415 -0.570 568 2HB ASP 77 HB3 ASP 77 22.156 -9.747 0.183 569 HA PRO 78 HA PRO 78 23.115 -5.473 3.490 570 1HB PRO 78 HB2 PRO 78 21.791 -6.249 5.857 571 2HB PRO 78 HB3 PRO 78 21.437 -4.829 4.833 572 1HG PRO 78 HG2 PRO 78 20.160 -7.575 4.751 573 2HG PRO 78 HG3 PRO 78 19.348 -5.981 4.691 574 1HD PRO 78 HD2 PRO 78 19.742 -7.328 2.425 575 2HD PRO 78 HD3 PRO 78 20.134 -5.592 2.448 576 H ASP 79 H ASP 79 22.560 -8.966 3.698 577 HA ASP 79 HA ASP 79 24.548 -9.499 5.723 578 1HB ASP 79 HB2 ASP 79 22.768 -11.091 5.100 579 2HB ASP 79 HB3 ASP 79 23.466 -11.246 3.483 580 H ASP 80 H ASP 80 24.766 -8.658 2.352 581 HA ASP 80 HA ASP 80 27.593 -9.620 2.164 582 1HB ASP 80 HB2 ASP 80 25.973 -10.812 0.736 583 2HB ASP 80 HB3 ASP 80 25.482 -9.282 0.009 584 H ILE 81 H ILE 81 25.403 -6.901 1.597 585 HA ILE 81 HA ILE 81 27.107 -4.991 0.413 586 HB ILE 81 HB ILE 81 24.926 -4.832 2.512 587 1HG1 ILE 81 HG12 ILE 81 24.944 -3.966 -0.417 588 2HG1 ILE 81 HG13 ILE 81 24.408 -5.540 0.142 589 1HG2 ILE 81 HG21 ILE 81 24.696 -2.465 2.344 590 2HG2 ILE 81 HG22 ILE 81 26.378 -2.761 2.766 591 3HG2 ILE 81 HG23 ILE 81 25.937 -2.345 1.101 592 1HD1 ILE 81 HD11 ILE 81 23.096 -2.877 0.645 593 2HD1 ILE 81 HD12 ILE 81 22.429 -4.354 -0.094 594 3HD1 ILE 81 HD13 ILE 81 22.724 -4.303 1.640 595 H ALA 82 H ALA 82 26.949 -6.158 3.750 596 HA ALA 82 HA ALA 82 28.538 -4.260 5.019 597 1HB ALA 82 HB1 ALA 82 28.335 -7.256 5.557 598 2HB ALA 82 HB2 ALA 82 28.879 -6.030 6.725 599 3HB ALA 82 HB3 ALA 82 27.195 -6.024 6.156 600 H GLU 83 H GLU 83 29.570 -6.893 2.914 601 HA GLU 83 HA GLU 83 32.433 -6.400 3.610 602 1HB GLU 83 HB2 GLU 83 31.588 -8.755 3.632 603 2HB GLU 83 HB3 GLU 83 31.098 -8.582 1.951 604 1HG GLU 83 HG2 GLU 83 33.180 -9.778 2.026 605 2HG GLU 83 HG3 GLU 83 33.466 -8.210 1.289 606 H MET 84 H MET 84 30.067 -6.503 0.947 607 HA MET 84 HA MET 84 32.018 -5.973 -1.050 608 1HB MET 84 HB2 MET 84 28.978 -5.883 -1.094 609 2HB MET 84 HB3 MET 84 29.962 -5.553 -2.527 610 1HG MET 84 HG2 MET 84 30.169 -8.097 -0.868 611 2HG MET 84 HG3 MET 84 29.234 -7.926 -2.344 612 1HE MET 84 HE1 MET 84 32.103 -10.237 -3.555 613 2HE MET 84 HE2 MET 84 31.311 -10.246 -1.963 614 3HE MET 84 HE3 MET 84 30.346 -9.990 -3.434 615 H PHE 85 H PHE 85 30.106 -3.677 0.873 616 HA PHE 85 HA PHE 85 30.802 -1.506 -0.943 617 1HB PHE 85 HB2 PHE 85 29.352 -1.691 1.634 618 2HB PHE 85 HB3 PHE 85 30.305 -0.225 1.421 619 HD1 PHE 85 HD1 PHE 85 29.801 1.407 -0.253 620 HD2 PHE 85 HD2 PHE 85 27.692 -2.350 -0.232 621 HE1 PHE 85 HE1 PHE 85 28.262 2.273 -1.990 622 HE2 PHE 85 HE2 PHE 85 26.138 -1.470 -1.960 623 HZ PHE 85 HZ PHE 85 26.454 0.830 -2.856 624 H MET 86 H MET 86 32.347 -2.828 2.013 625 HA MET 86 HA MET 86 34.486 -0.842 1.699 626 1HB MET 86 HB2 MET 86 35.502 -1.708 3.645 627 2HB MET 86 HB3 MET 86 33.800 -1.401 3.941 628 1HG MET 86 HG2 MET 86 33.300 -3.822 3.724 629 2HG MET 86 HG3 MET 86 35.012 -4.145 3.411 630 1HE MET 86 HE1 MET 86 35.120 -5.950 5.312 631 2HE MET 86 HE2 MET 86 34.564 -5.681 6.977 632 3HE MET 86 HE3 MET 86 33.390 -5.705 5.646 633 H MET 87 H MET 87 33.782 -3.336 -0.253 634 HA MET 87 HA MET 87 36.325 -4.606 -0.611 635 1HB MET 87 HB2 MET 87 34.093 -5.258 -1.662 636 2HB MET 87 HB3 MET 87 34.284 -3.879 -2.752 637 1HG MET 87 HG2 MET 87 34.975 -5.913 -3.852 638 2HG MET 87 HG3 MET 87 36.349 -4.839 -3.642 639 1HE MET 87 HE1 MET 87 34.582 -8.161 -2.544 640 2HE MET 87 HE2 MET 87 35.660 -8.794 -1.283 641 3HE MET 87 HE3 MET 87 34.674 -7.355 -0.959 642 H THR 88 H THR 88 35.054 -1.426 -1.316 643 HA THR 88 HA THR 88 37.027 -0.329 -3.042 644 HB THR 88 HB THR 88 36.164 1.799 -2.022 645 HG1 THR 88 HG1 THR 88 34.285 0.394 -0.511 646 1HG2 THR 88 HG21 THR 88 33.935 -0.179 -2.701 647 2HG2 THR 88 HG22 THR 88 33.817 1.594 -2.689 648 3HG2 THR 88 HG23 THR 88 34.873 0.784 -3.859 649 H THR 89 H THR 89 37.425 -1.597 0.089 650 HA THR 89 HA THR 89 38.892 -1.528 1.693 651 HB THR 89 HB THR 89 40.762 0.125 -0.036 652 HG1 THR 89 HG1 THR 89 39.859 -1.699 -1.155 653 1HG2 THR 89 HG21 THR 89 41.256 -2.014 2.090 654 2HG2 THR 89 HG22 THR 89 42.506 -1.356 1.009 655 3HG2 THR 89 HG23 THR 89 41.715 -0.300 2.173 656 H HIS 90 H HIS 90 36.936 0.984 1.052 657 HA HIS 90 HA HIS 90 37.760 2.294 3.538 658 1HB HIS 90 HB2 HIS 90 38.052 4.485 2.671 659 2HB HIS 90 HB3 HIS 90 39.165 3.408 1.845 660 HD1 HIS 90 HD1 HIS 90 38.342 2.744 -0.811 661 HD2 HIS 90 HD2 HIS 90 36.478 5.958 1.185 662 HE1 HIS 90 HE1 HIS 90 37.204 4.146 -2.604 663 H ASN 91 H ASN 91 35.205 1.967 1.020 664 HA ASN 91 HA ASN 91 33.605 4.064 2.074 665 1HB ASN 91 HB2 ASN 91 33.295 2.743 -0.155 666 2HB ASN 91 HB3 ASN 91 32.355 1.606 0.823 667 1HD2 ASN 91 HD22 ASN 91 30.329 2.488 1.947 668 2HD2 ASN 91 HD21 ASN 91 29.611 3.923 1.264 669 H MET 92 H MET 92 31.858 4.065 3.538 670 HA MET 92 HA MET 92 31.991 2.411 5.817 671 1HB MET 92 HB2 MET 92 30.926 4.758 5.459 672 2HB MET 92 HB3 MET 92 29.519 3.899 4.843 673 1HG MET 92 HG2 MET 92 29.170 4.449 7.162 674 2HG MET 92 HG3 MET 92 29.325 2.705 7.015 675 1HE MET 92 HE1 MET 92 32.164 5.590 7.220 676 2HE MET 92 HE2 MET 92 30.839 6.052 8.316 677 3HE MET 92 HE3 MET 92 32.417 5.571 8.975 678 HA PRO 93 HA PRO 93 29.793 -1.153 4.092 679 1HB PRO 93 HB2 PRO 93 29.359 -2.639 6.338 680 2HB PRO 93 HB3 PRO 93 30.992 -2.371 5.657 681 1HG PRO 93 HG2 PRO 93 29.666 -0.879 7.938 682 2HG PRO 93 HG3 PRO 93 31.309 -1.595 7.884 683 1HD PRO 93 HD2 PRO 93 30.818 1.044 7.362 684 2HD PRO 93 HD3 PRO 93 32.123 0.147 6.531 685 H LEU 94 H LEU 94 28.121 0.313 3.441 686 HA LEU 94 HA LEU 94 26.245 1.567 4.860 687 1HB LEU 94 HB2 LEU 94 26.581 0.781 2.053 688 2HB LEU 94 HB3 LEU 94 24.891 1.055 2.462 689 HG LEU 94 HG LEU 94 27.087 3.029 3.206 690 1HD1 LEU 94 HD11 LEU 94 25.323 3.033 0.713 691 2HD1 LEU 94 HD12 LEU 94 26.420 4.340 1.214 692 3HD1 LEU 94 HD13 LEU 94 27.075 2.759 0.759 693 1HD2 LEU 94 HD21 LEU 94 24.066 3.413 2.873 694 2HD2 LEU 94 HD22 LEU 94 24.895 3.268 4.428 695 3HD2 LEU 94 HD23 LEU 94 25.239 4.648 3.382 696 H ASN 95 H ASN 95 26.082 -1.794 4.825 697 HA ASN 95 HA ASN 95 23.300 -2.232 5.134 698 1HB ASN 95 HB2 ASN 95 23.785 -4.274 5.988 699 2HB ASN 95 HB3 ASN 95 25.302 -3.972 5.153 700 1HD2 ASN 95 HD22 ASN 95 26.906 -2.517 6.949 701 2HD2 ASN 95 HD21 ASN 95 26.995 -3.388 8.448 702 H TYR 96 H TYR 96 25.546 -0.501 7.255 703 HA TYR 96 HA TYR 96 24.117 -0.704 9.673 704 1HB TYR 96 HB2 TYR 96 25.309 1.155 10.430 705 2HB TYR 96 HB3 TYR 96 26.400 0.367 9.310 706 HD1 TYR 96 HD1 TYR 96 24.308 3.352 9.963 707 HD2 TYR 96 HD2 TYR 96 27.000 1.479 7.164 708 HE1 TYR 96 HE1 TYR 96 24.466 5.471 8.713 709 HE2 TYR 96 HE2 TYR 96 27.129 3.598 5.874 710 HH TYR 96 HH TYR 96 25.394 6.569 6.868 711 H LEU 97 H LEU 97 23.532 1.407 6.832 712 HA LEU 97 HA LEU 97 21.461 2.980 8.097 713 1HB LEU 97 HB2 LEU 97 22.713 3.830 6.221 714 2HB LEU 97 HB3 LEU 97 22.229 2.499 5.178 715 HG LEU 97 HG LEU 97 19.992 4.109 6.386 716 1HD1 LEU 97 HD11 LEU 97 21.629 5.856 5.777 717 2HD1 LEU 97 HD12 LEU 97 21.741 5.175 4.140 718 3HD1 LEU 97 HD13 LEU 97 20.213 5.893 4.718 719 1HD2 LEU 97 HD21 LEU 97 20.486 3.065 3.560 720 2HD2 LEU 97 HD22 LEU 97 19.483 2.270 4.787 721 3HD2 LEU 97 HD23 LEU 97 19.000 3.838 4.150 722 H ILE 98 H ILE 98 21.514 0.103 5.977 723 HA ILE 98 HA ILE 98 18.716 -0.173 5.668 724 HB ILE 98 HB ILE 98 20.961 -2.238 5.673 725 1HG1 ILE 98 HG12 ILE 98 19.462 -0.892 3.389 726 2HG1 ILE 98 HG13 ILE 98 21.061 -0.408 3.948 727 1HG2 ILE 98 HG21 ILE 98 19.277 -3.669 4.363 728 2HG2 ILE 98 HG22 ILE 98 19.001 -3.516 6.090 729 3HG2 ILE 98 HG23 ILE 98 18.027 -2.568 4.959 730 1HD1 ILE 98 HD11 ILE 98 20.339 -3.000 2.553 731 2HD1 ILE 98 HD12 ILE 98 21.421 -1.708 2.026 732 3HD1 ILE 98 HD13 ILE 98 21.891 -2.733 3.390 733 H ASP 99 H ASP 99 20.926 -1.378 8.251 734 HA ASP 99 HA ASP 99 18.963 -2.835 9.636 735 1HB ASP 99 HB2 ASP 99 21.440 -2.983 9.946 736 2HB ASP 99 HB3 ASP 99 21.406 -1.430 10.788 737 H GLN 100 H GLN 100 19.214 0.628 9.415 738 HA GLN 100 HA GLN 100 17.765 1.076 11.952 739 1HB GLN 100 HB2 GLN 100 18.292 3.111 9.757 740 2HB GLN 100 HB3 GLN 100 17.847 3.409 11.430 741 1HG GLN 100 HG2 GLN 100 20.501 2.570 10.307 742 2HG GLN 100 HG3 GLN 100 20.129 3.956 11.306 743 1HE2 GLN 100 HE22 GLN 100 21.634 1.016 11.364 744 2HE2 GLN 100 HE21 GLN 100 21.519 0.640 13.079 745 H LEU 101 H LEU 101 16.891 -0.013 8.888 746 HA LEU 101 HA LEU 101 14.158 1.216 9.028 747 1HB LEU 101 HB2 LEU 101 16.026 0.772 6.660 748 2HB LEU 101 HB3 LEU 101 14.343 1.246 6.505 749 HG LEU 101 HG LEU 101 16.416 2.920 7.992 750 1HD1 LEU 101 HD11 LEU 101 15.396 3.227 5.151 751 2HD1 LEU 101 HD12 LEU 101 16.460 4.359 6.012 752 3HD1 LEU 101 HD13 LEU 101 17.030 2.728 5.631 753 1HD2 LEU 101 HD21 LEU 101 14.154 3.436 8.719 754 2HD2 LEU 101 HD22 LEU 101 14.696 4.733 7.644 755 3HD2 LEU 101 HD23 LEU 101 13.574 3.498 7.045 756 H LYS 102 H LYS 102 16.096 -1.593 8.036 757 HA LYS 102 HA LYS 102 14.036 -3.072 6.839 758 1HB LYS 102 HB2 LYS 102 15.572 -4.797 6.710 759 2HB LYS 102 HB3 LYS 102 16.625 -3.395 6.875 760 1HG LYS 102 HG2 LYS 102 16.714 -3.939 9.398 761 2HG LYS 102 HG3 LYS 102 15.916 -5.469 8.970 762 1HD LYS 102 HD2 LYS 102 17.868 -5.673 7.203 763 2HD LYS 102 HD3 LYS 102 18.685 -4.491 8.218 764 1HE LYS 102 HE2 LYS 102 17.731 -7.279 8.933 765 2HE LYS 102 HE3 LYS 102 19.401 -6.700 8.834 766 1HZ LYS 102 HZ1 LYS 102 18.954 -5.338 10.834 767 2HZ LYS 102 HZ2 LYS 102 17.402 -5.900 10.897 768 3HZ LYS 102 HZ3 LYS 102 18.658 -6.914 11.112 769 H GLU 103 H GLU 103 14.518 -2.454 10.198 770 HA GLU 103 HA GLU 103 13.194 -4.761 11.239 771 1HB GLU 103 HB2 GLU 103 13.692 -2.007 12.443 772 2HB GLU 103 HB3 GLU 103 13.175 -3.434 13.346 773 1HG GLU 103 HG2 GLU 103 15.825 -3.092 11.886 774 2HG GLU 103 HG3 GLU 103 15.572 -3.021 13.623 775 H ASP 104 H ASP 104 11.946 -1.988 9.574 776 HA ASP 104 HA ASP 104 9.195 -2.643 10.547 777 1HB ASP 104 HB2 ASP 104 10.035 -0.614 11.712 778 2HB ASP 104 HB3 ASP 104 10.284 0.163 10.143 779 H ILE 105 H ILE 105 11.250 -1.380 7.887 780 HA ILE 105 HA ILE 105 9.069 -1.198 6.003 781 HB ILE 105 HB ILE 105 12.092 -1.388 5.652 782 1HG1 ILE 105 HG12 ILE 105 10.096 0.914 5.650 783 2HG1 ILE 105 HG13 ILE 105 11.436 0.662 6.765 784 1HG2 ILE 105 HG21 ILE 105 11.727 -0.718 3.306 785 2HG2 ILE 105 HG22 ILE 105 10.967 -2.242 3.644 786 3HG2 ILE 105 HG23 ILE 105 9.965 -0.771 3.550 787 1HD1 ILE 105 HD11 ILE 105 12.158 2.371 5.335 788 2HD1 ILE 105 HD12 ILE 105 12.991 0.926 4.724 789 3HD1 ILE 105 HD13 ILE 105 11.560 1.562 3.881 790 H GLY 106 H GLY 106 8.355 -2.751 4.604 791 1HA GLY 106 HA2 GLY 106 8.351 -5.441 5.525 792 2HA GLY 106 HA3 GLY 106 7.662 -4.839 4.010 793 H GLU 107 H GLU 107 10.111 -3.863 2.775 794 HA GLU 107 HA GLU 107 12.024 -6.089 2.807 795 1HB GLU 107 HB2 GLU 107 10.202 -6.619 1.072 796 2HB GLU 107 HB3 GLU 107 10.673 -5.133 0.239 797 1HG GLU 107 HG2 GLU 107 11.733 -6.987 -0.857 798 2HG GLU 107 HG3 GLU 107 12.979 -6.052 -0.045 799 H VAL 108 H VAL 108 14.105 -5.288 2.405 800 HA VAL 108 HA VAL 108 14.332 -2.541 1.299 801 HB VAL 108 HB VAL 108 15.986 -3.688 3.586 802 1HG1 VAL 108 HG11 VAL 108 16.856 -1.251 3.584 803 2HG1 VAL 108 HG12 VAL 108 17.394 -2.267 2.238 804 3HG1 VAL 108 HG13 VAL 108 16.098 -1.086 1.994 805 1HG2 VAL 108 HG21 VAL 108 13.930 -1.453 3.597 806 2HG2 VAL 108 HG22 VAL 108 13.779 -3.032 4.393 807 3HG2 VAL 108 HG23 VAL 108 15.005 -1.880 4.941 808 H ILE 109 H ILE 109 15.587 -2.469 -0.428 809 HA ILE 109 HA ILE 109 17.160 -4.867 -1.239 810 HB ILE 109 HB ILE 109 15.476 -3.014 -2.976 811 1HG1 ILE 109 HG12 ILE 109 14.498 -5.800 -2.278 812 2HG1 ILE 109 HG13 ILE 109 14.053 -4.432 -1.267 813 1HG2 ILE 109 HG21 ILE 109 16.699 -5.765 -3.490 814 2HG2 ILE 109 HG22 ILE 109 15.629 -4.922 -4.624 815 3HG2 ILE 109 HG23 ILE 109 17.195 -4.227 -4.229 816 1HD1 ILE 109 HD11 ILE 109 13.061 -3.234 -3.108 817 2HD1 ILE 109 HD12 ILE 109 13.434 -4.577 -4.215 818 3HD1 ILE 109 HD13 ILE 109 12.310 -4.820 -2.860 819 H PHE 110 H PHE 110 19.009 -4.341 -2.635 820 HA PHE 110 HA PHE 110 19.706 -1.469 -2.844 821 1HB PHE 110 HB2 PHE 110 20.822 -2.761 -0.868 822 2HB PHE 110 HB3 PHE 110 21.752 -3.574 -2.125 823 HD1 PHE 110 HD1 PHE 110 23.160 -2.055 -3.742 824 HD2 PHE 110 HD2 PHE 110 21.505 -0.693 -0.001 825 HE1 PHE 110 HE1 PHE 110 24.531 -0.007 -3.878 826 HE2 PHE 110 HE2 PHE 110 22.994 1.285 -0.069 827 HZ PHE 110 HZ PHE 110 24.439 1.683 -2.041 828 H LEU 111 H LEU 111 20.805 -1.003 -4.777 829 HA LEU 111 HA LEU 111 21.608 -3.266 -6.524 830 1HB LEU 111 HB2 LEU 111 19.565 -2.360 -7.400 831 2HB LEU 111 HB3 LEU 111 20.154 -0.704 -7.291 832 HG LEU 111 HG LEU 111 21.731 -2.676 -8.937 833 1HD1 LEU 111 HD11 LEU 111 19.142 -1.328 -9.798 834 2HD1 LEU 111 HD12 LEU 111 20.263 -2.131 -10.906 835 3HD1 LEU 111 HD13 LEU 111 19.446 -3.085 -9.678 836 1HD2 LEU 111 HD21 LEU 111 21.038 0.269 -9.380 837 2HD2 LEU 111 HD22 LEU 111 22.580 -0.312 -8.724 838 3HD2 LEU 111 HD23 LEU 111 22.137 -0.697 -10.374 839 H GLY 112 H GLY 112 23.659 -3.093 -7.181 840 1HA GLY 112 HA2 GLY 112 25.182 -0.584 -6.633 841 2HA GLY 112 HA3 GLY 112 25.851 -2.207 -6.502 842 H ILE 113 H ILE 113 26.804 -0.099 -8.196 843 HA ILE 113 HA ILE 113 26.636 -1.461 -10.826 844 HB ILE 113 HB ILE 113 26.731 1.549 -10.361 845 1HG1 ILE 113 HG12 ILE 113 24.440 -0.055 -11.582 846 2HG1 ILE 113 HG13 ILE 113 24.459 0.555 -9.923 847 1HG2 ILE 113 HG21 ILE 113 26.560 -0.032 -12.969 848 2HG2 ILE 113 HG22 ILE 113 26.607 1.743 -12.811 849 3HG2 ILE 113 HG23 ILE 113 28.007 0.795 -12.366 850 1HD1 ILE 113 HD11 ILE 113 24.447 2.245 -12.430 851 2HD1 ILE 113 HD12 ILE 113 23.195 2.102 -11.184 852 3HD1 ILE 113 HD13 ILE 113 24.751 2.863 -10.787 853 H GLN 114 H GLN 114 28.700 -1.979 -11.521 854 HA GLN 114 HA GLN 114 30.984 -1.569 -9.895 855 1HB GLN 114 HB2 GLN 114 30.747 -3.436 -11.449 856 2HB GLN 114 HB3 GLN 114 30.691 -2.333 -12.820 857 1HG GLN 114 HG2 GLN 114 32.887 -3.346 -12.661 858 2HG GLN 114 HG3 GLN 114 33.034 -1.629 -12.373 859 1HE2 GLN 114 HE22 GLN 114 34.406 -1.149 -10.642 860 2HE2 GLN 114 HE21 GLN 114 34.723 -2.269 -9.299 861 HA PRO 115 HA PRO 115 31.961 2.557 -11.670 862 1HB PRO 115 HB2 PRO 115 33.689 3.451 -9.803 863 2HB PRO 115 HB3 PRO 115 31.940 3.341 -9.448 864 1HG PRO 115 HG2 PRO 115 34.111 1.331 -8.741 865 2HG PRO 115 HG3 PRO 115 32.862 2.032 -7.660 866 1HD PRO 115 HD2 PRO 115 32.553 -0.388 -8.916 867 2HD PRO 115 HD3 PRO 115 31.186 0.701 -8.574 868 H ASP 116 H ASP 116 34.022 3.529 -12.305 869 HA ASP 116 HA ASP 116 36.410 1.762 -12.571 870 1HB ASP 116 HB2 ASP 116 35.148 1.795 -14.717 871 2HB ASP 116 HB3 ASP 116 35.194 3.560 -14.708 872 H ILE 117 H ILE 117 34.951 5.036 -12.400 873 HA ILE 117 HA ILE 117 37.602 6.178 -11.730 874 HB ILE 117 HB ILE 117 36.271 6.623 -14.043 875 1HG1 ILE 117 HG12 ILE 117 38.463 7.386 -13.642 876 2HG1 ILE 117 HG13 ILE 117 37.466 8.651 -14.354 877 1HG2 ILE 117 HG21 ILE 117 35.176 8.855 -14.010 878 2HG2 ILE 117 HG22 ILE 117 34.234 7.569 -13.249 879 3HG2 ILE 117 HG23 ILE 117 35.090 8.781 -12.263 880 1HD1 ILE 117 HD11 ILE 117 38.914 9.574 -12.595 881 2HD1 ILE 117 HD12 ILE 117 37.214 9.685 -12.075 882 3HD1 ILE 117 HD13 ILE 117 38.280 8.428 -11.410 883 H VAL 118 H VAL 118 37.623 6.975 -9.633 884 HA VAL 118 HA VAL 118 35.165 8.107 -8.505 885 HB VAL 118 HB VAL 118 36.711 5.843 -7.182 886 1HG1 VAL 118 HG11 VAL 118 34.375 7.510 -6.133 887 2HG1 VAL 118 HG12 VAL 118 35.032 6.063 -5.339 888 3HG1 VAL 118 HG13 VAL 118 36.034 7.505 -5.495 889 1HG2 VAL 118 HG21 VAL 118 34.535 4.628 -7.157 890 2HG2 VAL 118 HG22 VAL 118 33.808 5.927 -8.126 891 3HG2 VAL 118 HG23 VAL 118 35.115 4.920 -8.794 892 H GLY 119 H GLY 119 35.701 9.908 -7.418 893 1HA GLY 119 HA2 GLY 119 37.629 10.591 -5.681 894 2HA GLY 119 HA3 GLY 119 38.497 10.777 -7.220 895 H PHE 120 H PHE 120 37.661 12.950 -5.357 896 HA PHE 120 HA PHE 120 35.292 14.205 -6.337 897 1HB PHE 120 HB2 PHE 120 37.667 15.318 -4.801 898 2HB PHE 120 HB3 PHE 120 36.187 16.205 -5.129 899 HD1 PHE 120 HD1 PHE 120 33.925 15.137 -4.358 900 HD2 PHE 120 HD2 PHE 120 37.790 13.987 -2.811 901 HE1 PHE 120 HE1 PHE 120 32.842 14.186 -2.340 902 HE2 PHE 120 HE2 PHE 120 36.696 13.043 -0.795 903 HZ PHE 120 HZ PHE 120 34.221 13.141 -0.555 904 H TYR 121 H TYR 121 35.013 15.879 -7.621 905 HA TYR 121 HA TYR 121 35.082 17.100 -9.439 906 1HB TYR 121 HB2 TYR 121 36.849 18.326 -8.102 907 2HB TYR 121 HB3 TYR 121 38.061 17.508 -9.075 908 HD1 TYR 121 HD1 TYR 121 34.979 19.658 -9.348 909 HD2 TYR 121 HD2 TYR 121 38.747 18.528 -11.125 910 HE1 TYR 121 HE1 TYR 121 34.714 21.448 -11.040 911 HE2 TYR 121 HE2 TYR 121 38.497 20.317 -12.814 912 HH TYR 121 HH TYR 121 37.162 22.057 -13.606 913 H TYR 122 H TYR 122 34.899 14.468 -9.852 914 HA TYR 122 HA TYR 122 36.095 14.310 -12.558 915 1HB TYR 122 HB2 TYR 122 35.950 12.050 -10.542 916 2HB TYR 122 HB3 TYR 122 35.921 11.751 -12.265 917 HD1 TYR 122 HD1 TYR 122 38.025 12.942 -9.480 918 HD2 TYR 122 HD2 TYR 122 37.858 12.046 -13.689 919 HE1 TYR 122 HE1 TYR 122 40.490 13.099 -9.594 920 HE2 TYR 122 HE2 TYR 122 40.323 12.213 -13.832 921 HH TYR 122 HH TYR 122 42.307 12.604 -12.668 922 HA PRO 123 HA PRO 123 31.718 13.584 -13.414 923 1HB PRO 123 HB2 PRO 123 31.826 13.008 -16.061 924 2HB PRO 123 HB3 PRO 123 32.186 14.654 -15.452 925 1HG PRO 123 HG2 PRO 123 34.157 12.452 -16.146 926 2HG PRO 123 HG3 PRO 123 34.185 14.166 -16.677 927 1HD PRO 123 HD2 PRO 123 35.628 13.240 -14.530 928 2HD PRO 123 HD3 PRO 123 34.951 14.896 -14.579 929 H MET 124 H MET 124 30.394 11.745 -14.177 930 HA MET 124 HA MET 124 31.425 9.097 -13.509 931 1HB MET 124 HB2 MET 124 29.142 9.849 -12.962 932 2HB MET 124 HB3 MET 124 28.809 10.188 -14.664 933 1HG MET 124 HG2 MET 124 29.078 7.747 -15.151 934 2HG MET 124 HG3 MET 124 29.234 7.446 -13.430 935 1HE MET 124 HE1 MET 124 27.075 9.582 -12.181 936 2HE MET 124 HE2 MET 124 25.685 8.498 -12.084 937 3HE MET 124 HE3 MET 124 27.304 7.896 -11.652 938 H THR 125 H THR 125 31.887 7.508 -15.023 939 HA THR 125 HA THR 125 32.611 8.374 -17.732 940 HB THR 125 HB THR 125 33.433 6.000 -17.899 941 HG1 THR 125 HG1 THR 125 32.627 5.911 -15.166 942 1HG2 THR 125 HG21 THR 125 34.569 7.732 -15.711 943 2HG2 THR 125 HG22 THR 125 35.349 6.259 -16.318 944 3HG2 THR 125 HG23 THR 125 35.065 7.635 -17.399 945 H GLN 126 H GLN 126 31.901 7.219 -19.640 946 HA GLN 126 HA GLN 126 29.207 7.202 -20.026 947 1HB GLN 126 HB2 GLN 126 31.166 7.266 -21.665 948 2HB GLN 126 HB3 GLN 126 31.139 5.508 -21.653 949 1HG GLN 126 HG2 GLN 126 28.816 7.336 -22.419 950 2HG GLN 126 HG3 GLN 126 29.922 6.594 -23.563 951 1HE2 GLN 126 HE22 GLN 126 26.857 6.295 -22.614 952 2HE2 GLN 126 HE21 GLN 126 26.642 4.565 -22.698 953 HA PRO 127 HA PRO 127 28.765 2.512 -19.778 954 1HB PRO 127 HB2 PRO 127 30.334 0.961 -18.114 955 2HB PRO 127 HB3 PRO 127 30.645 1.249 -19.850 956 1HG PRO 127 HG2 PRO 127 31.897 2.617 -17.473 957 2HG PRO 127 HG3 PRO 127 32.680 2.055 -18.977 958 1HD PRO 127 HD2 PRO 127 31.970 4.642 -18.508 959 2HD PRO 127 HD3 PRO 127 31.962 3.949 -20.157 960 H ILE 128 H ILE 128 29.740 4.275 -16.810 961 HA ILE 128 HA ILE 128 27.736 2.846 -15.226 962 HB ILE 128 HB ILE 128 29.591 5.132 -14.608 963 1HG1 ILE 128 HG12 ILE 128 30.444 3.531 -12.887 964 2HG1 ILE 128 HG13 ILE 128 29.359 2.296 -13.498 965 1HG2 ILE 128 HG21 ILE 128 27.636 3.831 -12.649 966 2HG2 ILE 128 HG22 ILE 128 28.797 5.129 -12.301 967 3HG2 ILE 128 HG23 ILE 128 27.417 5.439 -13.338 968 1HD1 ILE 128 HD11 ILE 128 31.793 2.147 -14.220 969 2HD1 ILE 128 HD12 ILE 128 30.602 2.100 -15.530 970 3HD1 ILE 128 HD13 ILE 128 31.508 3.592 -15.196 971 H LYS 129 H LYS 129 28.020 5.949 -16.994 972 HA LYS 129 HA LYS 129 25.452 6.995 -16.283 973 1HB LYS 129 HB2 LYS 129 26.982 7.223 -18.915 974 2HB LYS 129 HB3 LYS 129 25.459 8.043 -18.588 975 1HG LYS 129 HG2 LYS 129 26.460 9.258 -16.710 976 2HG LYS 129 HG3 LYS 129 28.016 8.452 -17.000 977 1HD LYS 129 HD2 LYS 129 28.159 9.448 -19.238 978 2HD LYS 129 HD3 LYS 129 26.559 10.198 -19.031 979 1HE LYS 129 HE2 LYS 129 27.403 11.485 -17.096 980 2HE LYS 129 HE3 LYS 129 28.994 10.736 -17.280 981 1HZ LYS 129 HZ1 LYS 129 27.701 12.488 -19.294 982 2HZ LYS 129 HZ2 LYS 129 28.914 12.928 -18.302 983 3HZ LYS 129 HZ3 LYS 129 29.180 11.805 -19.450 984 H ASP 130 H ASP 130 26.376 4.717 -18.897 985 HA ASP 130 HA ASP 130 23.751 4.274 -19.873 986 1HB ASP 130 HB2 ASP 130 25.748 3.604 -21.108 987 2HB ASP 130 HB3 ASP 130 26.176 2.441 -19.854 988 H ALA 131 H ALA 131 25.539 2.666 -17.237 989 HA ALA 131 HA ALA 131 23.572 0.688 -16.688 990 1HB ALA 131 HB1 ALA 131 25.513 2.027 -14.766 991 2HB ALA 131 HB2 ALA 131 24.668 0.497 -14.498 992 3HB ALA 131 HB3 ALA 131 25.879 0.631 -15.796 993 H VAL 132 H VAL 132 24.039 3.986 -15.249 994 HA VAL 132 HA VAL 132 21.784 3.829 -13.524 995 HB VAL 132 HB VAL 132 23.261 6.199 -14.742 996 1HG1 VAL 132 HG11 VAL 132 21.109 7.092 -14.155 997 2HG1 VAL 132 HG12 VAL 132 21.042 6.128 -12.670 998 3HG1 VAL 132 HG13 VAL 132 22.174 7.481 -12.793 999 1HG2 VAL 132 HG21 VAL 132 23.300 5.045 -11.912 1000 2HG2 VAL 132 HG22 VAL 132 24.564 4.775 -13.128 1001 3HG2 VAL 132 HG23 VAL 132 24.264 6.406 -12.523 1002 H GLU 133 H GLU 133 22.065 4.937 -16.953 1003 HA GLU 133 HA GLU 133 19.351 5.720 -17.252 1004 1HB GLU 133 HB2 GLU 133 21.118 6.280 -18.862 1005 2HB GLU 133 HB3 GLU 133 21.346 4.582 -19.251 1006 1HG GLU 133 HG2 GLU 133 20.089 5.675 -21.004 1007 2HG GLU 133 HG3 GLU 133 19.109 4.437 -20.232 1008 H THR 134 H THR 134 20.933 2.498 -17.620 1009 HA THR 134 HA THR 134 18.610 1.141 -18.544 1010 HB THR 134 HB THR 134 20.974 0.036 -16.960 1011 HG1 THR 134 HG1 THR 134 21.670 1.111 -18.807 1012 1HG2 THR 134 HG21 THR 134 19.053 -1.334 -18.895 1013 2HG2 THR 134 HG22 THR 134 20.496 -2.072 -18.158 1014 3HG2 THR 134 HG23 THR 134 19.130 -1.599 -17.140 1015 H VAL 135 H VAL 135 19.861 1.652 -15.178 1016 HA VAL 135 HA VAL 135 17.747 0.200 -13.907 1017 HB VAL 135 HB VAL 135 19.545 2.458 -12.922 1018 1HG1 VAL 135 HG11 VAL 135 17.715 0.612 -11.315 1019 2HG1 VAL 135 HG12 VAL 135 18.956 1.681 -10.624 1020 3HG1 VAL 135 HG13 VAL 135 17.566 2.376 -11.461 1021 1HG2 VAL 135 HG21 VAL 135 20.778 0.632 -11.821 1022 2HG2 VAL 135 HG22 VAL 135 19.653 -0.565 -12.511 1023 3HG2 VAL 135 HG23 VAL 135 20.733 0.363 -13.558 1024 H TYR 136 H TYR 136 18.093 3.710 -14.700 1025 HA TYR 136 HA TYR 136 15.661 4.618 -13.654 1026 1HB TYR 136 HB2 TYR 136 17.254 6.212 -14.356 1027 2HB TYR 136 HB3 TYR 136 17.457 5.468 -15.921 1028 HD1 TYR 136 HD1 TYR 136 14.834 7.266 -13.893 1029 HD2 TYR 136 HD2 TYR 136 16.432 6.340 -17.795 1030 HE1 TYR 136 HE1 TYR 136 13.247 8.867 -14.929 1031 HE2 TYR 136 HE2 TYR 136 14.838 7.905 -18.836 1032 HH TYR 136 HH TYR 136 13.106 9.401 -18.491 1033 H GLN 137 H GLN 137 16.277 3.245 -16.957 1034 HA GLN 137 HA GLN 137 13.516 3.475 -17.723 1035 1HB GLN 137 HB2 GLN 137 15.778 1.697 -18.752 1036 2HB GLN 137 HB3 GLN 137 14.201 1.801 -19.525 1037 1HG GLN 137 HG2 GLN 137 16.106 4.149 -19.159 1038 2HG GLN 137 HG3 GLN 137 15.959 3.192 -20.621 1039 1HE2 GLN 137 HE22 GLN 137 15.648 5.972 -20.589 1040 2HE2 GLN 137 HE21 GLN 137 13.974 6.352 -21.001 1041 H ARG 138 H ARG 138 15.317 0.906 -16.023 1042 HA ARG 138 HA ARG 138 13.241 -1.059 -16.303 1043 1HB ARG 138 HB2 ARG 138 15.708 -1.440 -15.546 1044 2HB ARG 138 HB3 ARG 138 15.186 -0.856 -13.967 1045 1HG ARG 138 HG2 ARG 138 15.052 -3.196 -13.789 1046 2HG ARG 138 HG3 ARG 138 13.396 -2.701 -14.001 1047 1HD ARG 138 HD2 ARG 138 13.550 -4.510 -15.442 1048 2HD ARG 138 HD3 ARG 138 13.820 -3.187 -16.568 1049 HE ARG 138 HE ARG 138 15.794 -5.091 -15.407 1050 1HH1 ARG 138 HH21 ARG 138 15.197 -2.559 -17.842 1051 2HH1 ARG 138 HH22 ARG 138 16.656 -2.858 -18.706 1052 1HH2 ARG 138 HH11 ARG 138 17.756 -5.417 -16.499 1053 2HH2 ARG 138 HH12 ARG 138 18.137 -4.546 -17.938 1054 H LEU 139 H LEU 139 13.713 1.581 -13.990 1055 HA LEU 139 HA LEU 139 12.254 0.617 -11.878 1056 1HB LEU 139 HB2 LEU 139 12.617 3.444 -12.871 1057 2HB LEU 139 HB3 LEU 139 11.716 3.116 -11.409 1058 HG LEU 139 HG LEU 139 14.634 2.403 -11.820 1059 1HD1 LEU 139 HD11 LEU 139 15.002 4.246 -10.205 1060 2HD1 LEU 139 HD12 LEU 139 14.237 4.811 -11.701 1061 3HD1 LEU 139 HD13 LEU 139 13.264 4.609 -10.232 1062 1HD2 LEU 139 HD21 LEU 139 13.572 0.853 -10.180 1063 2HD2 LEU 139 HD22 LEU 139 14.729 1.949 -9.433 1064 3HD2 LEU 139 HD23 LEU 139 12.999 2.266 -9.262 1065 H GLU 140 H GLU 140 10.707 1.681 -14.868 1066 HA GLU 140 HA GLU 140 8.110 1.943 -13.507 1067 1HB GLU 140 HB2 GLU 140 7.206 2.447 -15.724 1068 2HB GLU 140 HB3 GLU 140 8.549 3.488 -15.282 1069 1HG GLU 140 HG2 GLU 140 10.065 2.279 -16.743 1070 2HG GLU 140 HG3 GLU 140 8.842 1.051 -17.088 1071 H GLY 141 H GLY 141 9.903 -0.716 -14.535 1072 1HA GLY 141 HA2 GLY 141 7.489 -2.453 -14.440 1073 2HA GLY 141 HA3 GLY 141 8.611 -2.591 -15.806 1074 H TRP 142 H TRP 142 10.023 -1.697 -12.801 1075 HA TRP 142 HA TRP 142 11.835 -3.799 -12.721 1076 1HB TRP 142 HB2 TRP 142 12.397 -1.714 -11.818 1077 2HB TRP 142 HB3 TRP 142 10.937 -1.616 -10.843 1078 HD1 TRP 142 HD1 TRP 142 10.889 -3.348 -8.674 1079 HE1 TRP 142 HE1 TRP 142 12.765 -3.961 -7.060 1080 HE3 TRP 142 HE3 TRP 142 14.867 -1.828 -11.497 1081 HZ2 TRP 142 HZ2 TRP 142 15.656 -3.750 -6.969 1082 HZ3 TRP 142 HZ3 TRP 142 17.163 -1.996 -10.602 1083 HH2 TRP 142 HH2 TRP 142 17.567 -2.958 -8.340 1084 H GLU 143 H GLU 143 8.825 -3.417 -10.937 1085 HA GLU 143 HA GLU 143 7.424 -4.762 -9.939 1086 1HB GLU 143 HB2 GLU 143 7.722 -6.103 -11.994 1087 2HB GLU 143 HB3 GLU 143 8.918 -7.100 -11.155 1088 1HG GLU 143 HG2 GLU 143 7.209 -7.792 -9.508 1089 2HG GLU 143 HG3 GLU 143 6.021 -6.737 -10.276 1090 H GLY 144 H GLY 144 10.682 -6.076 -9.398 1091 1HA GLY 144 HA2 GLY 144 10.315 -5.943 -6.488 1092 2HA GLY 144 HA3 GLY 144 10.394 -7.586 -7.147 1093 H ASN 145 H ASN 145 12.349 -7.280 -9.190 1094 HA ASN 145 HA ASN 145 14.688 -5.996 -7.894 1095 1HB ASN 145 HB2 ASN 145 15.997 -7.877 -7.837 1096 2HB ASN 145 HB3 ASN 145 14.465 -8.510 -7.265 1097 1HD2 ASN 145 HD22 ASN 145 16.884 -9.759 -8.758 1098 2HD2 ASN 145 HD21 ASN 145 16.146 -10.602 -10.086 1099 H GLY 146 H GLY 146 12.897 -5.907 -10.612 1100 1HA GLY 146 HA2 GLY 146 13.306 -5.317 -12.758 1101 2HA GLY 146 HA3 GLY 146 14.895 -4.762 -12.196 1102 H GLY 147 H GLY 147 14.321 -8.178 -11.762 1103 1HA GLY 147 HA2 GLY 147 15.175 -10.021 -12.767 1104 2HA GLY 147 HA3 GLY 147 15.165 -9.153 -14.310 1105 H PHE 148 H PHE 148 17.028 -7.428 -11.928 1106 HA PHE 148 HA PHE 148 19.485 -7.954 -13.340 1107 1HB PHE 148 HB2 PHE 148 18.782 -6.436 -10.811 1108 2HB PHE 148 HB3 PHE 148 20.417 -6.535 -11.458 1109 HD1 PHE 148 HD1 PHE 148 20.669 -5.870 -14.021 1110 HD2 PHE 148 HD2 PHE 148 17.414 -4.616 -11.477 1111 HE1 PHE 148 HE1 PHE 148 20.258 -3.915 -15.500 1112 HE2 PHE 148 HE2 PHE 148 17.071 -2.624 -12.915 1113 HZ PHE 148 HZ PHE 148 18.472 -2.276 -14.932 1114 H ALA 149 H ALA 149 21.197 -9.117 -12.681 1115 HA ALA 149 HA ALA 149 20.770 -11.491 -11.129 1116 1HB ALA 149 HB1 ALA 149 22.342 -11.447 -13.019 1117 2HB ALA 149 HB2 ALA 149 23.330 -10.212 -12.208 1118 3HB ALA 149 HB3 ALA 149 23.211 -11.846 -11.526 1119 H GLN 150 H GLN 150 21.888 -12.063 -9.199 1120 HA GLN 150 HA GLN 150 22.146 -9.796 -7.304 1121 1HB GLN 150 HB2 GLN 150 20.345 -11.650 -7.152 1122 2HB GLN 150 HB3 GLN 150 21.638 -12.717 -6.619 1123 1HG GLN 150 HG2 GLN 150 20.828 -10.094 -5.270 1124 2HG GLN 150 HG3 GLN 150 20.231 -11.679 -4.804 1125 1HE2 GLN 150 HE22 GLN 150 22.890 -9.434 -4.540 1126 2HE2 GLN 150 HE21 GLN 150 23.996 -10.515 -3.707 1127 H LEU 151 H LEU 151 24.118 -9.333 -6.531 1128 HA LEU 151 HA LEU 151 26.522 -10.528 -7.399 1129 1HB LEU 151 HB2 LEU 151 26.257 -8.190 -6.561 1130 2HB LEU 151 HB3 LEU 151 25.910 -8.818 -4.954 1131 HG LEU 151 HG LEU 151 28.218 -9.739 -4.816 1132 1HD1 LEU 151 HD11 LEU 151 28.632 -8.359 -7.508 1133 2HD1 LEU 151 HD12 LEU 151 29.913 -9.035 -6.483 1134 3HD1 LEU 151 HD13 LEU 151 28.718 -10.108 -7.211 1135 1HD2 LEU 151 HD21 LEU 151 29.331 -7.489 -4.705 1136 2HD2 LEU 151 HD22 LEU 151 27.919 -6.790 -5.530 1137 3HD2 LEU 151 HD23 LEU 151 27.736 -7.529 -3.937 1138 H ALA 152 H ALA 152 27.334 -12.486 -6.819 1139 HA ALA 152 HA ALA 152 27.126 -13.373 -3.997 1140 1HB ALA 152 HB1 ALA 152 26.055 -15.009 -6.344 1141 2HB ALA 152 HB2 ALA 152 26.143 -15.539 -4.647 1142 3HB ALA 152 HB3 ALA 152 25.071 -14.205 -5.095 1143 H VAL 153 H VAL 153 29.402 -12.443 -5.304 1144 HA VAL 153 HA VAL 153 31.484 -12.855 -5.980 1145 HB VAL 153 HB VAL 153 31.197 -15.469 -4.471 1146 1HG1 VAL 153 HG11 VAL 153 33.406 -15.289 -5.542 1147 2HG1 VAL 153 HG12 VAL 153 33.602 -13.636 -4.922 1148 3HG1 VAL 153 HG13 VAL 153 33.585 -15.029 -3.817 1149 1HG2 VAL 153 HG21 VAL 153 30.328 -13.712 -3.011 1150 2HG2 VAL 153 HG22 VAL 153 31.920 -14.193 -2.450 1151 3HG2 VAL 153 HG23 VAL 153 31.736 -12.684 -3.368 1152 H GLU 154 H GLU 154 29.169 -13.834 -7.614 1153 HA GLU 154 HA GLU 154 28.598 -15.021 -9.371 1154 1HB GLU 154 HB2 GLU 154 31.359 -14.239 -10.341 1155 2HB GLU 154 HB3 GLU 154 29.872 -14.403 -11.283 1156 1HG GLU 154 HG2 GLU 154 30.595 -12.239 -9.268 1157 2HG GLU 154 HG3 GLU 154 30.271 -12.071 -10.986 1158 H GLU 155 H GLU 155 29.272 -16.864 -7.494 1159 HA GLU 155 HA GLU 155 29.964 -19.140 -9.205 1160 1HB GLU 155 HB2 GLU 155 31.456 -20.135 -7.575 1161 2HB GLU 155 HB3 GLU 155 32.102 -18.594 -8.122 1162 1HG GLU 155 HG2 GLU 155 31.357 -17.512 -6.017 1163 2HG GLU 155 HG3 GLU 155 30.618 -19.021 -5.488 1164 H GLU 156 H GLU 156 29.396 -21.234 -7.935 1165 HA GLU 156 HA GLU 156 27.322 -20.987 -5.906 1166 1HB GLU 156 HB2 GLU 156 26.068 -20.645 -8.031 1167 2HB GLU 156 HB3 GLU 156 26.734 -22.152 -8.673 1168 1HG GLU 156 HG2 GLU 156 25.601 -23.428 -6.881 1169 2HG GLU 156 HG3 GLU 156 25.008 -21.927 -6.167 Start of MODEL 2 1 1H MET 1 H1 MET 1 0.123 2.956 2.465 2 2H MET 1 H2 MET 1 -0.710 2.535 1.126 3 3H MET 1 H3 MET 1 -0.626 1.499 2.402 4 HA MET 1 HA MET 1 1.744 1.248 2.101 5 1HB MET 1 HB2 MET 1 0.057 0.660 -0.372 6 2HB MET 1 HB3 MET 1 1.737 0.150 -0.191 7 1HG MET 1 HG2 MET 1 1.164 -1.100 1.860 8 2HG MET 1 HG3 MET 1 -0.537 -0.663 1.653 9 1HE MET 1 HE1 MET 1 -1.092 -3.261 1.909 10 2HE MET 1 HE2 MET 1 -0.386 -4.525 0.878 11 3HE MET 1 HE3 MET 1 0.642 -3.639 2.027 12 H THR 2 H THR 2 3.664 1.767 0.981 13 HA THR 2 HA THR 2 3.626 3.947 -0.991 14 HB THR 2 HB THR 2 5.421 4.268 1.425 15 HG1 THR 2 HG1 THR 2 4.024 5.334 2.561 16 1HG2 THR 2 HG21 THR 2 4.226 6.213 -0.596 17 2HG2 THR 2 HG22 THR 2 5.208 6.697 0.798 18 3HG2 THR 2 HG23 THR 2 5.924 5.697 -0.469 19 H ASP 3 H ASP 3 5.757 4.062 -2.092 20 HA ASP 3 HA ASP 3 7.622 1.826 -1.520 21 1HB ASP 3 HB2 ASP 3 5.952 1.347 -3.437 22 2HB ASP 3 HB3 ASP 3 6.773 2.632 -4.328 23 H VAL 4 H VAL 4 9.822 2.494 -2.000 24 HA VAL 4 HA VAL 4 10.158 5.409 -2.529 25 HB VAL 4 HB VAL 4 11.101 3.934 -0.035 26 1HG1 VAL 4 HG11 VAL 4 11.853 6.141 0.766 27 2HG1 VAL 4 HG12 VAL 4 12.732 5.683 -0.687 28 3HG1 VAL 4 HG13 VAL 4 11.418 6.876 -0.789 29 1HG2 VAL 4 HG21 VAL 4 8.719 4.439 0.189 30 2HG2 VAL 4 HG22 VAL 4 9.636 5.573 1.176 31 3HG2 VAL 4 HG23 VAL 4 8.977 6.096 -0.381 32 H LEU 5 H LEU 5 12.158 6.014 -3.247 33 HA LEU 5 HA LEU 5 14.143 3.877 -3.883 34 1HB LEU 5 HB2 LEU 5 13.124 4.604 -5.956 35 2HB LEU 5 HB3 LEU 5 13.214 6.299 -5.468 36 HG LEU 5 HG LEU 5 15.725 6.169 -5.567 37 1HD1 LEU 5 HD11 LEU 5 16.754 4.279 -6.787 38 2HD1 LEU 5 HD12 LEU 5 16.055 3.742 -5.260 39 3HD1 LEU 5 HD13 LEU 5 15.200 3.416 -6.782 40 1HD2 LEU 5 HD21 LEU 5 14.206 5.436 -8.092 41 2HD2 LEU 5 HD22 LEU 5 14.425 7.066 -7.429 42 3HD2 LEU 5 HD23 LEU 5 15.824 6.170 -8.034 43 H LEU 6 H LEU 6 16.046 4.297 -2.799 44 HA LEU 6 HA LEU 6 16.575 7.080 -1.837 45 1HB LEU 6 HB2 LEU 6 16.262 5.637 0.049 46 2HB LEU 6 HB3 LEU 6 17.320 4.404 -0.656 47 HG LEU 6 HG LEU 6 19.256 6.001 -0.431 48 1HD1 LEU 6 HD11 LEU 6 18.080 8.140 -0.453 49 2HD1 LEU 6 HD12 LEU 6 17.227 7.716 1.049 50 3HD1 LEU 6 HD13 LEU 6 18.985 7.970 1.053 51 1HD2 LEU 6 HD21 LEU 6 17.737 5.315 2.101 52 2HD2 LEU 6 HD22 LEU 6 18.887 4.289 1.250 53 3HD2 LEU 6 HD23 LEU 6 19.455 5.773 2.025 54 H CYS 7 H CYS 7 17.760 7.909 -3.409 55 HA CYS 7 HA CYS 7 19.959 6.447 -4.714 56 1HB CYS 7 HB2 CYS 7 18.909 9.314 -4.722 57 2HB CYS 7 HB3 CYS 7 20.319 8.799 -5.637 58 HG CYS 7 HG CYS 7 17.235 7.589 -5.703 59 H VAL 8 H VAL 8 22.124 6.623 -4.100 60 HA VAL 8 HA VAL 8 22.902 8.531 -1.970 61 HB VAL 8 HB VAL 8 23.627 5.569 -2.090 62 1HG1 VAL 8 HG11 VAL 8 24.254 7.662 0.022 63 2HG1 VAL 8 HG12 VAL 8 24.633 5.928 0.131 64 3HG1 VAL 8 HG13 VAL 8 25.421 6.916 -1.092 65 1HG2 VAL 8 HG21 VAL 8 21.688 6.977 -0.228 66 2HG2 VAL 8 HG22 VAL 8 21.345 5.653 -1.367 67 3HG2 VAL 8 HG23 VAL 8 22.344 5.345 0.050 68 H GLY 9 H GLY 9 24.998 9.360 -2.320 69 1HA GLY 9 HA2 GLY 9 27.240 8.507 -3.398 70 2HA GLY 9 HA3 GLY 9 26.311 8.698 -4.888 71 H ASN 10 H ASN 10 28.532 10.165 -4.782 72 HA ASN 10 HA ASN 10 27.541 12.969 -4.397 73 1HB ASN 10 HB2 ASN 10 29.268 12.508 -2.791 74 2HB ASN 10 HB3 ASN 10 30.306 11.775 -4.000 75 1HD2 ASN 10 HD22 ASN 10 30.250 14.415 -2.145 76 2HD2 ASN 10 HD21 ASN 10 30.936 15.583 -3.244 77 H SER 11 H SER 11 27.267 13.994 -6.258 78 HA SER 11 HA SER 11 27.433 12.819 -8.708 79 1HB SER 11 HB2 SER 11 27.504 15.814 -8.288 80 2HB SER 11 HB3 SER 11 26.599 14.891 -9.500 81 HG SER 11 HG SER 11 25.279 15.651 -7.765 82 H MET 12 H MET 12 30.161 14.314 -7.133 83 HA MET 12 HA MET 12 31.575 14.492 -9.743 84 1HB MET 12 HB2 MET 12 32.691 16.488 -9.086 85 2HB MET 12 HB3 MET 12 30.952 16.749 -8.946 86 1HG MET 12 HG2 MET 12 31.143 16.303 -6.478 87 2HG MET 12 HG3 MET 12 32.899 16.211 -6.656 88 1HE MET 12 HE1 MET 12 34.424 18.253 -7.264 89 2HE MET 12 HE2 MET 12 33.510 18.656 -8.739 90 3HE MET 12 HE3 MET 12 33.844 19.912 -7.532 91 H MET 13 H MET 13 31.339 12.476 -7.371 92 HA MET 13 HA MET 13 34.198 12.271 -6.666 93 1HB MET 13 HB2 MET 13 32.554 12.256 -4.879 94 2HB MET 13 HB3 MET 13 31.702 10.914 -5.617 95 1HG MET 13 HG2 MET 13 32.984 10.225 -3.706 96 2HG MET 13 HG3 MET 13 33.635 9.445 -5.133 97 1HE MET 13 HE1 MET 13 35.585 8.785 -3.508 98 2HE MET 13 HE2 MET 13 36.589 9.949 -2.603 99 3HE MET 13 HE3 MET 13 34.859 9.761 -2.212 100 H GLY 14 H GLY 14 33.095 11.865 -9.453 101 1HA GLY 14 HA2 GLY 14 33.647 10.461 -11.170 102 2HA GLY 14 HA3 GLY 14 34.284 9.277 -10.022 103 H ASP 15 H ASP 15 33.218 7.503 -10.725 104 HA ASP 15 HA ASP 15 30.515 7.311 -11.564 105 1HB ASP 15 HB2 ASP 15 32.452 5.254 -10.451 106 2HB ASP 15 HB3 ASP 15 30.875 4.838 -11.102 107 H ASP 16 H ASP 16 31.810 7.626 -8.403 108 HA ASP 16 HA ASP 16 30.035 6.252 -6.735 109 1HB ASP 16 HB2 ASP 16 32.094 7.433 -6.050 110 2HB ASP 16 HB3 ASP 16 31.313 8.976 -6.415 111 H GLY 17 H GLY 17 29.465 9.156 -8.659 112 1HA GLY 17 HA2 GLY 17 27.169 10.124 -7.235 113 2HA GLY 17 HA3 GLY 17 27.683 10.568 -8.867 114 H ALA 18 H ALA 18 26.883 7.177 -7.948 115 HA ALA 18 HA ALA 18 25.352 6.911 -10.362 116 1HB ALA 18 HB1 ALA 18 24.864 4.664 -9.507 117 2HB ALA 18 HB2 ALA 18 26.592 5.041 -9.367 118 3HB ALA 18 HB3 ALA 18 25.546 5.097 -7.927 119 H GLY 19 H GLY 19 24.433 7.062 -6.884 120 1HA GLY 19 HA2 GLY 19 21.625 6.997 -7.232 121 2HA GLY 19 HA3 GLY 19 22.501 7.719 -5.876 122 HA PRO 20 HA PRO 20 21.767 11.845 -7.100 123 1HB PRO 20 HB2 PRO 20 24.539 12.183 -8.286 124 2HB PRO 20 HB3 PRO 20 23.591 13.345 -7.299 125 1HG PRO 20 HG2 PRO 20 25.489 11.770 -6.152 126 2HG PRO 20 HG3 PRO 20 23.935 12.066 -5.317 127 1HD PRO 20 HD2 PRO 20 24.855 9.599 -6.726 128 2HD PRO 20 HD3 PRO 20 23.735 9.786 -5.355 129 H LEU 21 H LEU 21 23.473 10.212 -9.929 130 HA LEU 21 HA LEU 21 22.121 11.956 -11.795 131 1HB LEU 21 HB2 LEU 21 24.233 10.826 -12.345 132 2HB LEU 21 HB3 LEU 21 23.463 9.253 -12.156 133 HG LEU 21 HG LEU 21 21.947 9.764 -14.082 134 1HD1 LEU 21 HD11 LEU 21 21.810 12.195 -13.990 135 2HD1 LEU 21 HD12 LEU 21 23.563 12.345 -14.241 136 3HD1 LEU 21 HD13 LEU 21 22.516 11.738 -15.541 137 1HD2 LEU 21 HD21 LEU 21 24.068 8.591 -14.452 138 2HD2 LEU 21 HD22 LEU 21 23.645 9.598 -15.843 139 3HD2 LEU 21 HD23 LEU 21 24.896 10.141 -14.701 140 H LEU 22 H LEU 22 21.429 8.734 -10.372 141 HA LEU 22 HA LEU 22 19.166 8.148 -12.002 142 1HB LEU 22 HB2 LEU 22 20.336 6.458 -10.596 143 2HB LEU 22 HB3 LEU 22 19.832 7.305 -9.144 144 HG LEU 22 HG LEU 22 17.478 6.873 -9.629 145 1HD1 LEU 22 HD11 LEU 22 16.894 5.208 -11.445 146 2HD1 LEU 22 HD12 LEU 22 17.445 6.750 -12.086 147 3HD1 LEU 22 HD13 LEU 22 18.548 5.354 -12.072 148 1HD2 LEU 22 HD21 LEU 22 18.790 5.267 -8.296 149 2HD2 LEU 22 HD22 LEU 22 17.516 4.447 -9.214 150 3HD2 LEU 22 HD23 LEU 22 19.200 4.371 -9.776 151 H ALA 23 H ALA 23 19.462 9.744 -8.801 152 HA ALA 23 HA ALA 23 16.749 10.304 -8.355 153 1HB ALA 23 HB1 ALA 23 19.190 11.971 -7.560 154 2HB ALA 23 HB2 ALA 23 17.564 12.108 -6.866 155 3HB ALA 23 HB3 ALA 23 18.501 10.630 -6.625 156 H GLU 24 H GLU 24 19.177 12.222 -10.222 157 HA GLU 24 HA GLU 24 17.471 14.457 -10.692 158 1HB GLU 24 HB2 GLU 24 19.827 14.651 -11.068 159 2HB GLU 24 HB3 GLU 24 19.846 13.307 -12.214 160 1HG GLU 24 HG2 GLU 24 18.588 14.553 -13.851 161 2HG GLU 24 HG3 GLU 24 18.295 15.873 -12.710 162 H LYS 25 H LYS 25 18.079 11.512 -12.610 163 HA LYS 25 HA LYS 25 16.273 12.146 -14.734 164 1HB LYS 25 HB2 LYS 25 17.422 9.556 -13.638 165 2HB LYS 25 HB3 LYS 25 16.381 9.606 -15.077 166 1HG LYS 25 HG2 LYS 25 17.947 10.988 -16.276 167 2HG LYS 25 HG3 LYS 25 18.979 11.169 -14.847 168 1HD LYS 25 HD2 LYS 25 19.431 8.760 -14.812 169 2HD LYS 25 HD3 LYS 25 18.383 8.496 -16.211 170 1HE LYS 25 HE2 LYS 25 20.840 10.312 -16.244 171 2HE LYS 25 HE3 LYS 25 20.894 8.596 -16.671 172 1HZ LYS 25 HZ1 LYS 25 19.235 10.600 -18.088 173 2HZ LYS 25 HZ2 LYS 25 20.649 9.984 -18.629 174 3HZ LYS 25 HZ3 LYS 25 19.356 8.997 -18.456 175 H CYS 26 H CYS 26 15.755 10.197 -11.730 176 HA CYS 26 HA CYS 26 13.019 9.603 -12.377 177 1HB CYS 26 HB2 CYS 26 14.417 9.627 -9.665 178 2HB CYS 26 HB3 CYS 26 12.832 8.912 -10.033 179 HG CYS 26 HG CYS 26 15.820 8.165 -11.195 180 H ALA 27 H ALA 27 14.525 12.354 -10.563 181 HA ALA 27 HA ALA 27 12.059 13.469 -9.714 182 1HB ALA 27 HB1 ALA 27 13.346 15.564 -9.457 183 2HB ALA 27 HB2 ALA 27 14.217 14.175 -8.780 184 3HB ALA 27 HB3 ALA 27 14.701 14.852 -10.355 185 H ALA 28 H ALA 28 13.954 13.857 -12.754 186 HA ALA 28 HA ALA 28 12.281 15.857 -13.885 187 1HB ALA 28 HB1 ALA 28 14.098 13.828 -15.255 188 2HB ALA 28 HB2 ALA 28 13.447 15.308 -15.981 189 3HB ALA 28 HB3 ALA 28 14.595 15.419 -14.634 190 H ALA 29 H ALA 29 12.125 12.323 -13.866 191 HA ALA 29 HA ALA 29 9.438 12.322 -15.104 192 1HB ALA 29 HB1 ALA 29 10.208 10.561 -16.700 193 2HB ALA 29 HB2 ALA 29 10.917 12.159 -17.015 194 3HB ALA 29 HB3 ALA 29 11.887 10.909 -16.211 195 HA PRO 30 HA PRO 30 9.806 9.624 -11.368 196 1HB PRO 30 HB2 PRO 30 6.818 9.936 -11.709 197 2HB PRO 30 HB3 PRO 30 7.782 9.898 -10.197 198 1HG PRO 30 HG2 PRO 30 6.935 12.266 -11.203 199 2HG PRO 30 HG3 PRO 30 8.613 12.107 -10.587 200 1HD PRO 30 HD2 PRO 30 7.653 12.033 -13.457 201 2HD PRO 30 HD3 PRO 30 9.079 12.858 -12.756 202 H LYS 31 H LYS 31 9.299 7.408 -11.025 203 HA LYS 31 HA LYS 31 8.230 5.899 -13.367 204 1HB LYS 31 HB2 LYS 31 10.669 5.209 -11.642 205 2HB LYS 31 HB3 LYS 31 9.998 4.189 -12.896 206 1HG LYS 31 HG2 LYS 31 11.400 6.864 -13.283 207 2HG LYS 31 HG3 LYS 31 11.962 5.262 -13.724 208 1HD LYS 31 HD2 LYS 31 9.613 5.331 -15.141 209 2HD LYS 31 HD3 LYS 31 10.012 7.054 -15.101 210 1HE LYS 31 HE2 LYS 31 12.298 6.470 -15.991 211 2HE LYS 31 HE3 LYS 31 11.780 4.788 -16.109 212 1HZ LYS 31 HZ1 LYS 31 10.585 7.071 -17.575 213 2HZ LYS 31 HZ2 LYS 31 11.482 5.875 -18.228 214 3HZ LYS 31 HZ3 LYS 31 9.992 5.539 -17.617 215 H GLY 32 H GLY 32 7.571 3.705 -12.787 216 1HA GLY 32 HA2 GLY 32 6.124 2.347 -11.609 217 2HA GLY 32 HA3 GLY 32 7.436 2.401 -10.433 218 H ASN 33 H ASN 33 6.832 2.966 -8.436 219 HA ASN 33 HA ASN 33 4.807 5.100 -8.015 220 1HB ASN 33 HB2 ASN 33 3.739 2.848 -7.718 221 2HB ASN 33 HB3 ASN 33 4.944 2.461 -6.487 222 1HD2 ASN 33 HD22 ASN 33 2.586 5.149 -7.239 223 2HD2 ASN 33 HD21 ASN 33 2.040 5.310 -5.593 224 H TRP 34 H TRP 34 7.946 4.602 -7.847 225 HA TRP 34 HA TRP 34 8.548 4.557 -5.049 226 1HB TRP 34 HB2 TRP 34 10.518 5.547 -7.103 227 2HB TRP 34 HB3 TRP 34 10.781 4.595 -5.658 228 HD1 TRP 34 HD1 TRP 34 9.733 4.348 -9.293 229 HE1 TRP 34 HE1 TRP 34 9.928 1.945 -10.149 230 HE3 TRP 34 HE3 TRP 34 10.998 2.042 -4.896 231 HZ2 TRP 34 HZ2 TRP 34 10.746 -0.582 -9.118 232 HZ3 TRP 34 HZ3 TRP 34 11.550 -0.363 -4.882 233 HH2 TRP 34 HH2 TRP 34 11.451 -1.696 -6.973 234 H VAL 35 H VAL 35 8.373 6.265 -3.664 235 HA VAL 35 HA VAL 35 8.395 9.036 -4.591 236 HB VAL 35 HB VAL 35 8.753 7.893 -1.778 237 1HG1 VAL 35 HG11 VAL 35 8.034 10.186 -1.068 238 2HG1 VAL 35 HG12 VAL 35 9.565 10.207 -1.948 239 3HG1 VAL 35 HG13 VAL 35 8.065 10.704 -2.763 240 1HG2 VAL 35 HG21 VAL 35 6.361 8.482 -1.444 241 2HG2 VAL 35 HG22 VAL 35 6.228 8.907 -3.165 242 3HG2 VAL 35 HG23 VAL 35 6.549 7.231 -2.673 243 H VAL 36 H VAL 36 10.291 10.020 -5.223 244 HA VAL 36 HA VAL 36 12.805 8.584 -4.953 245 HB VAL 36 HB VAL 36 12.249 11.377 -6.033 246 1HG1 VAL 36 HG11 VAL 36 14.584 9.467 -6.534 247 2HG1 VAL 36 HG12 VAL 36 14.332 11.032 -7.341 248 3HG1 VAL 36 HG13 VAL 36 14.652 10.982 -5.607 249 1HG2 VAL 36 HG21 VAL 36 12.334 8.730 -7.550 250 2HG2 VAL 36 HG22 VAL 36 10.893 9.737 -7.297 251 3HG2 VAL 36 HG23 VAL 36 12.214 10.355 -8.275 252 H ILE 37 H ILE 37 14.354 8.921 -3.433 253 HA ILE 37 HA ILE 37 14.466 11.453 -1.911 254 HB ILE 37 HB ILE 37 14.702 8.605 -0.810 255 1HG1 ILE 37 HG12 ILE 37 12.860 10.932 -0.063 256 2HG1 ILE 37 HG13 ILE 37 12.384 9.463 -0.924 257 1HG2 ILE 37 HG21 ILE 37 15.384 9.606 1.341 258 2HG2 ILE 37 HG22 ILE 37 16.539 10.020 0.103 259 3HG2 ILE 37 HG23 ILE 37 15.340 11.225 0.614 260 1HD1 ILE 37 HD11 ILE 37 13.228 9.675 1.981 261 2HD1 ILE 37 HD12 ILE 37 11.652 9.240 1.321 262 3HD1 ILE 37 HD13 ILE 37 13.021 8.135 1.105 263 H ASP 38 H ASP 38 16.621 12.117 -1.661 264 HA ASP 38 HA ASP 38 18.774 10.429 -2.833 265 1HB ASP 38 HB2 ASP 38 18.340 12.007 -4.564 266 2HB ASP 38 HB3 ASP 38 18.216 13.347 -3.417 267 H GLY 39 H GLY 39 19.976 9.957 -1.110 268 1HA GLY 39 HA2 GLY 39 20.033 11.673 1.282 269 2HA GLY 39 HA3 GLY 39 20.795 10.090 1.046 270 H GLY 40 H GLY 40 21.700 11.748 -1.695 271 1HA GLY 40 HA2 GLY 40 23.746 12.532 -2.356 272 2HA GLY 40 HA3 GLY 40 23.871 13.384 -0.798 273 H SER 41 H SER 41 26.065 12.759 -0.405 274 HA SER 41 HA SER 41 26.691 9.905 -0.240 275 1HB SER 41 HB2 SER 41 28.975 10.899 0.374 276 2HB SER 41 HB3 SER 41 28.341 11.167 -1.256 277 HG SER 41 HG SER 41 29.248 13.053 -0.058 278 H ALA 42 H ALA 42 24.799 11.604 1.723 279 HA ALA 42 HA ALA 42 25.918 10.519 4.240 280 1HB ALA 42 HB1 ALA 42 24.990 13.392 3.837 281 2HB ALA 42 HB2 ALA 42 25.456 12.649 5.381 282 3HB ALA 42 HB3 ALA 42 26.667 12.858 4.105 283 HA PRO 43 HA PRO 43 21.338 9.974 3.271 284 1HB PRO 43 HB2 PRO 43 21.110 7.252 3.217 285 2HB PRO 43 HB3 PRO 43 21.726 8.186 1.824 286 1HG PRO 43 HG2 PRO 43 23.372 6.819 3.986 287 2HG PRO 43 HG3 PRO 43 23.530 6.640 2.211 288 1HD PRO 43 HD2 PRO 43 25.086 8.380 3.598 289 2HD PRO 43 HD3 PRO 43 24.423 8.830 1.997 290 H GLU 44 H GLU 44 23.416 8.706 5.838 291 HA GLU 44 HA GLU 44 21.413 7.497 7.428 292 1HB GLU 44 HB2 GLU 44 22.998 7.392 9.152 293 2HB GLU 44 HB3 GLU 44 23.829 7.102 7.631 294 1HG GLU 44 HG2 GLU 44 23.893 9.597 9.348 295 2HG GLU 44 HG3 GLU 44 25.216 8.467 9.069 296 H ASN 45 H ASN 45 22.505 10.864 7.285 297 HA ASN 45 HA ASN 45 20.935 11.804 9.463 298 1HB ASN 45 HB2 ASN 45 22.367 13.041 7.118 299 2HB ASN 45 HB3 ASN 45 21.114 14.009 7.870 300 1HD2 ASN 45 HD22 ASN 45 24.198 12.321 8.539 301 2HD2 ASN 45 HD21 ASN 45 24.562 13.251 9.986 302 H ASP 46 H ASP 46 19.792 10.529 6.504 303 HA ASP 46 HA ASP 46 17.352 12.227 6.577 304 1HB ASP 46 HB2 ASP 46 19.018 12.191 4.559 305 2HB ASP 46 HB3 ASP 46 18.283 10.626 4.194 306 H ILE 47 H ILE 47 18.360 9.207 7.518 307 HA ILE 47 HA ILE 47 16.459 7.354 6.718 308 HB ILE 47 HB ILE 47 17.828 7.855 9.377 309 1HG1 ILE 47 HG12 ILE 47 18.298 5.722 7.235 310 2HG1 ILE 47 HG13 ILE 47 19.180 7.239 7.321 311 1HG2 ILE 47 HG21 ILE 47 17.224 5.611 10.138 312 2HG2 ILE 47 HG22 ILE 47 15.764 6.540 9.861 313 3HG2 ILE 47 HG23 ILE 47 16.280 5.333 8.662 314 1HD1 ILE 47 HD11 ILE 47 19.951 6.605 9.645 315 2HD1 ILE 47 HD12 ILE 47 19.252 4.990 9.361 316 3HD1 ILE 47 HD13 ILE 47 20.563 5.581 8.337 317 H VAL 48 H VAL 48 16.037 9.954 9.145 318 HA VAL 48 HA VAL 48 13.526 9.194 10.129 319 HB VAL 48 HB VAL 48 14.537 12.040 9.678 320 1HG1 VAL 48 HG11 VAL 48 12.647 10.891 11.779 321 2HG1 VAL 48 HG12 VAL 48 13.215 12.575 11.698 322 3HG1 VAL 48 HG13 VAL 48 12.185 11.934 10.414 323 1HG2 VAL 48 HG21 VAL 48 15.490 11.871 11.989 324 2HG2 VAL 48 HG22 VAL 48 15.168 10.124 11.964 325 3HG2 VAL 48 HG23 VAL 48 16.330 10.854 10.828 326 H ALA 49 H ALA 49 14.349 10.998 7.133 327 HA ALA 49 HA ALA 49 11.663 11.839 6.600 328 1HB ALA 49 HB1 ALA 49 14.022 11.521 4.698 329 2HB ALA 49 HB2 ALA 49 12.549 12.459 4.396 330 3HB ALA 49 HB3 ALA 49 13.680 12.976 5.668 331 H ILE 50 H ILE 50 13.693 9.106 5.551 332 HA ILE 50 HA ILE 50 11.875 7.868 3.764 333 HB ILE 50 HB ILE 50 13.883 6.521 5.630 334 1HG1 ILE 50 HG12 ILE 50 14.383 7.532 2.799 335 2HG1 ILE 50 HG13 ILE 50 14.950 8.344 4.253 336 1HG2 ILE 50 HG21 ILE 50 13.909 4.720 3.974 337 2HG2 ILE 50 HG22 ILE 50 12.280 4.972 4.567 338 3HG2 ILE 50 HG23 ILE 50 12.733 5.598 2.967 339 1HD1 ILE 50 HD11 ILE 50 15.820 5.625 3.258 340 2HD1 ILE 50 HD12 ILE 50 16.776 7.115 3.396 341 3HD1 ILE 50 HD13 ILE 50 16.239 6.277 4.858 342 H ARG 51 H ARG 51 12.316 7.535 7.339 343 HA ARG 51 HA ARG 51 10.352 5.474 7.589 344 1HB ARG 51 HB2 ARG 51 11.432 7.411 9.682 345 2HB ARG 51 HB3 ARG 51 10.302 6.099 10.024 346 1HG ARG 51 HG2 ARG 51 12.018 4.508 8.932 347 2HG ARG 51 HG3 ARG 51 13.155 5.855 9.011 348 1HD ARG 51 HD2 ARG 51 13.528 4.527 10.959 349 2HD ARG 51 HD3 ARG 51 12.687 5.994 11.501 350 HE ARG 51 HE ARG 51 10.945 3.739 10.817 351 1HH1 ARG 51 HH21 ARG 51 12.767 5.244 13.475 352 2HH1 ARG 51 HH22 ARG 51 11.852 4.487 14.725 353 1HH2 ARG 51 HH11 ARG 51 9.763 2.665 12.476 354 2HH2 ARG 51 HH12 ARG 51 10.088 3.015 14.141 355 H GLU 52 H GLU 52 9.955 9.035 7.734 356 HA GLU 52 HA GLU 52 7.346 9.092 8.758 357 1HB GLU 52 HB2 GLU 52 8.754 10.872 6.731 358 2HB GLU 52 HB3 GLU 52 7.133 11.226 7.305 359 1HG GLU 52 HG2 GLU 52 9.538 10.954 9.141 360 2HG GLU 52 HG3 GLU 52 8.957 12.470 8.465 361 H LEU 53 H LEU 53 8.380 8.119 5.508 362 HA LEU 53 HA LEU 53 5.767 8.436 4.338 363 1HB LEU 53 HB2 LEU 53 8.141 6.843 3.321 364 2HB LEU 53 HB3 LEU 53 6.739 7.350 2.390 365 HG LEU 53 HG LEU 53 8.940 9.102 3.527 366 1HD1 LEU 53 HD11 LEU 53 9.284 9.670 1.138 367 2HD1 LEU 53 HD12 LEU 53 9.505 7.947 1.472 368 3HD1 LEU 53 HD13 LEU 53 8.009 8.509 0.695 369 1HD2 LEU 53 HD21 LEU 53 6.909 10.397 3.830 370 2HD2 LEU 53 HD22 LEU 53 7.792 11.035 2.450 371 3HD2 LEU 53 HD23 LEU 53 6.364 10.008 2.176 372 H ARG 54 H ARG 54 6.854 6.211 6.550 373 HA ARG 54 HA ARG 54 6.489 4.063 7.111 374 1HB ARG 54 HB2 ARG 54 3.647 4.530 6.151 375 2HB ARG 54 HB3 ARG 54 4.192 3.388 7.372 376 1HG ARG 54 HG2 ARG 54 4.033 6.415 7.572 377 2HG ARG 54 HG3 ARG 54 3.083 5.222 8.444 378 1HD ARG 54 HD2 ARG 54 5.997 5.927 8.836 379 2HD ARG 54 HD3 ARG 54 4.676 6.195 9.949 380 HE ARG 54 HE ARG 54 4.472 3.753 10.223 381 1HH1 ARG 54 HH21 ARG 54 7.636 5.014 9.097 382 2HH1 ARG 54 HH22 ARG 54 8.503 3.602 9.638 383 1HH2 ARG 54 HH11 ARG 54 5.703 1.987 11.041 384 2HH2 ARG 54 HH12 ARG 54 7.437 1.990 10.879 385 HA PRO 55 HA PRO 55 6.725 3.041 2.528 386 1HB PRO 55 HB2 PRO 55 9.361 1.824 3.196 387 2HB PRO 55 HB3 PRO 55 8.916 2.879 1.834 388 1HG PRO 55 HG2 PRO 55 10.353 3.863 3.924 389 2HG PRO 55 HG3 PRO 55 9.063 4.825 3.160 390 1HD PRO 55 HD2 PRO 55 8.890 3.209 5.701 391 2HD PRO 55 HD3 PRO 55 8.363 4.873 5.373 392 H THR 56 H THR 56 5.865 1.184 1.725 393 HA THR 56 HA THR 56 5.775 -1.278 3.288 394 HB THR 56 HB THR 56 4.921 -0.795 0.407 395 HG1 THR 56 HG1 THR 56 3.596 -0.143 2.826 396 1HG2 THR 56 HG21 THR 56 3.187 -2.458 0.905 397 2HG2 THR 56 HG22 THR 56 4.798 -3.139 1.183 398 3HG2 THR 56 HG23 THR 56 3.801 -2.633 2.566 399 H ARG 57 H ARG 57 7.606 0.184 0.614 400 HA ARG 57 HA ARG 57 9.612 -1.935 0.907 401 1HB ARG 57 HB2 ARG 57 8.418 -2.792 -0.979 402 2HB ARG 57 HB3 ARG 57 8.269 -1.188 -1.700 403 1HG ARG 57 HG2 ARG 57 10.669 -1.124 -2.196 404 2HG ARG 57 HG3 ARG 57 10.924 -2.647 -1.325 405 1HD ARG 57 HD2 ARG 57 10.913 -2.667 -3.883 406 2HD ARG 57 HD3 ARG 57 9.982 -3.893 -3.046 407 HE ARG 57 HE ARG 57 8.839 -1.400 -4.261 408 1HH1 ARG 57 HH11 ARG 57 8.373 -4.866 -3.337 409 2HH1 ARG 57 HH12 ARG 57 6.787 -4.911 -4.027 410 1HH2 ARG 57 HH21 ARG 57 6.875 -1.500 -5.092 411 2HH2 ARG 57 HH22 ARG 57 5.876 -2.944 -5.089 412 H LEU 58 H LEU 58 11.700 -1.274 0.250 413 HA LEU 58 HA LEU 58 12.117 1.513 -0.630 414 1HB LEU 58 HB2 LEU 58 12.450 1.545 1.796 415 2HB LEU 58 HB3 LEU 58 13.468 0.103 1.706 416 HG LEU 58 HG LEU 58 15.173 1.383 0.436 417 1HD1 LEU 58 HD11 LEU 58 15.029 3.850 0.382 418 2HD1 LEU 58 HD12 LEU 58 13.773 3.126 -0.609 419 3HD1 LEU 58 HD13 LEU 58 13.371 3.777 1.000 420 1HD2 LEU 58 HD21 LEU 58 15.942 2.754 2.348 421 2HD2 LEU 58 HD22 LEU 58 14.327 2.612 3.085 422 3HD2 LEU 58 HD23 LEU 58 15.342 1.175 2.877 423 H LEU 59 H LEU 59 13.789 1.607 -2.140 424 HA LEU 59 HA LEU 59 15.562 -0.749 -2.544 425 1HB LEU 59 HB2 LEU 59 13.954 -0.985 -4.317 426 2HB LEU 59 HB3 LEU 59 13.922 0.762 -4.601 427 HG LEU 59 HG LEU 59 16.237 0.686 -5.483 428 1HD1 LEU 59 HD11 LEU 59 15.988 -2.347 -5.257 429 2HD1 LEU 59 HD12 LEU 59 17.305 -1.448 -6.033 430 3HD1 LEU 59 HD13 LEU 59 17.091 -1.343 -4.288 431 1HD2 LEU 59 HD21 LEU 59 14.344 -1.285 -6.827 432 2HD2 LEU 59 HD22 LEU 59 14.277 0.480 -6.974 433 3HD2 LEU 59 HD23 LEU 59 15.680 -0.402 -7.600 434 H ILE 60 H ILE 60 17.647 -0.084 -2.599 435 HA ILE 60 HA ILE 60 18.178 2.833 -2.522 436 HB ILE 60 HB ILE 60 19.576 0.511 -1.162 437 1HG1 ILE 60 HG12 ILE 60 17.725 2.464 0.239 438 2HG1 ILE 60 HG13 ILE 60 17.241 0.858 -0.288 439 1HG2 ILE 60 HG21 ILE 60 20.722 2.285 0.183 440 2HG2 ILE 60 HG22 ILE 60 21.048 2.504 -1.527 441 3HG2 ILE 60 HG23 ILE 60 19.849 3.529 -0.736 442 1HD1 ILE 60 HD11 ILE 60 17.790 0.723 2.009 443 2HD1 ILE 60 HD12 ILE 60 18.990 -0.176 1.061 444 3HD1 ILE 60 HD13 ILE 60 19.395 1.424 1.749 445 H VAL 61 H VAL 61 20.066 3.587 -3.710 446 HA VAL 61 HA VAL 61 21.439 1.572 -5.411 447 HB VAL 61 HB VAL 61 20.131 4.090 -6.498 448 1HG1 VAL 61 HG11 VAL 61 21.640 1.808 -7.844 449 2HG1 VAL 61 HG12 VAL 61 20.706 3.029 -8.727 450 3HG1 VAL 61 HG13 VAL 61 22.110 3.520 -7.786 451 1HG2 VAL 61 HG21 VAL 61 18.609 2.553 -7.752 452 2HG2 VAL 61 HG22 VAL 61 19.233 1.201 -6.789 453 3HG2 VAL 61 HG23 VAL 61 18.339 2.520 -6.011 454 H ASP 62 H ASP 62 23.528 1.985 -5.805 455 HA ASP 62 HA ASP 62 24.823 4.558 -5.706 456 1HB ASP 62 HB2 ASP 62 24.619 4.080 -3.284 457 2HB ASP 62 HB3 ASP 62 25.479 2.555 -3.501 458 H ALA 63 H ALA 63 27.312 4.042 -5.985 459 HA ALA 63 HA ALA 63 27.696 1.864 -7.928 460 1HB ALA 63 HB1 ALA 63 30.010 2.719 -8.014 461 2HB ALA 63 HB2 ALA 63 28.845 4.031 -8.261 462 3HB ALA 63 HB3 ALA 63 29.660 3.846 -6.686 463 H THR 64 H THR 64 29.272 0.130 -7.510 464 HA THR 64 HA THR 64 30.230 -0.316 -4.772 465 HB THR 64 HB THR 64 28.459 -2.407 -6.124 466 HG1 THR 64 HG1 THR 64 27.749 -0.290 -4.464 467 1HG2 THR 64 HG21 THR 64 29.433 -2.084 -3.255 468 2HG2 THR 64 HG22 THR 64 28.388 -3.384 -3.856 469 3HG2 THR 64 HG23 THR 64 30.051 -3.255 -4.442 470 H ASP 65 H ASP 65 32.321 -1.161 -5.082 471 HA ASP 65 HA ASP 65 33.070 -2.121 -7.754 472 1HB ASP 65 HB2 ASP 65 34.756 -0.922 -6.458 473 2HB ASP 65 HB3 ASP 65 34.653 -2.134 -5.168 474 H MET 66 H MET 66 32.673 -4.097 -8.426 475 HA MET 66 HA MET 66 32.157 -6.288 -6.479 476 1HB MET 66 HB2 MET 66 30.816 -5.515 -9.116 477 2HB MET 66 HB3 MET 66 30.535 -7.042 -8.284 478 1HG MET 66 HG2 MET 66 29.773 -5.875 -6.269 479 2HG MET 66 HG3 MET 66 30.080 -4.314 -7.002 480 1HE MET 66 HE1 MET 66 27.326 -3.878 -9.648 481 2HE MET 66 HE2 MET 66 28.547 -3.070 -8.633 482 3HE MET 66 HE3 MET 66 29.050 -4.293 -9.811 483 H GLY 67 H GLY 67 34.461 -5.221 -8.631 484 1HA GLY 67 HA2 GLY 67 36.110 -6.229 -9.834 485 2HA GLY 67 HA3 GLY 67 35.706 -7.769 -9.052 486 H LEU 68 H LEU 68 33.278 -5.947 -10.851 487 HA LEU 68 HA LEU 68 33.093 -8.110 -12.897 488 1HB LEU 68 HB2 LEU 68 31.108 -5.972 -12.012 489 2HB LEU 68 HB3 LEU 68 30.810 -7.156 -13.283 490 HG LEU 68 HG LEU 68 31.313 -7.893 -10.397 491 1HD1 LEU 68 HD11 LEU 68 29.210 -6.651 -10.636 492 2HD1 LEU 68 HD12 LEU 68 28.727 -7.692 -11.983 493 3HD1 LEU 68 HD13 LEU 68 28.884 -8.367 -10.343 494 1HD2 LEU 68 HD21 LEU 68 31.918 -9.729 -11.903 495 2HD2 LEU 68 HD22 LEU 68 30.402 -10.104 -11.084 496 3HD2 LEU 68 HD23 LEU 68 30.377 -9.558 -12.773 497 H ASN 69 H ASN 69 31.849 -6.802 -14.866 498 HA ASN 69 HA ASN 69 33.968 -5.172 -16.113 499 1HB ASN 69 HB2 ASN 69 32.637 -6.859 -17.413 500 2HB ASN 69 HB3 ASN 69 31.188 -5.893 -17.153 501 1HD2 ASN 69 HD22 ASN 69 31.153 -3.601 -18.163 502 2HD2 ASN 69 HD21 ASN 69 32.125 -3.390 -19.588 503 HA PRO 70 HA PRO 70 32.292 -1.206 -14.672 504 1HB PRO 70 HB2 PRO 70 32.794 -0.499 -17.576 505 2HB PRO 70 HB3 PRO 70 33.049 0.510 -16.118 506 1HG PRO 70 HG2 PRO 70 35.148 -0.796 -17.208 507 2HG PRO 70 HG3 PRO 70 34.914 -0.868 -15.429 508 1HD PRO 70 HD2 PRO 70 34.219 -2.951 -17.494 509 2HD PRO 70 HD3 PRO 70 34.937 -3.160 -15.868 510 H GLY 71 H GLY 71 30.241 -0.400 -14.507 511 1HA GLY 71 HA2 GLY 71 28.102 0.162 -15.067 512 2HA GLY 71 HA3 GLY 71 28.417 -0.287 -16.748 513 H GLU 72 H GLU 72 29.204 -2.983 -14.773 514 HA GLU 72 HA GLU 72 26.744 -4.403 -15.400 515 1HB GLU 72 HB2 GLU 72 29.197 -5.009 -13.702 516 2HB GLU 72 HB3 GLU 72 27.777 -6.039 -13.632 517 1HG GLU 72 HG2 GLU 72 29.190 -5.380 -16.241 518 2HG GLU 72 HG3 GLU 72 29.570 -6.794 -15.255 519 H ILE 73 H ILE 73 25.203 -5.077 -13.869 520 HA ILE 73 HA ILE 73 24.843 -3.268 -11.535 521 HB ILE 73 HB ILE 73 22.780 -4.219 -13.580 522 1HG1 ILE 73 HG12 ILE 73 23.811 -1.383 -13.161 523 2HG1 ILE 73 HG13 ILE 73 24.350 -2.436 -14.460 524 1HG2 ILE 73 HG21 ILE 73 21.762 -3.995 -11.389 525 2HG2 ILE 73 HG22 ILE 73 22.604 -2.456 -11.116 526 3HG2 ILE 73 HG23 ILE 73 21.290 -2.581 -12.311 527 1HD1 ILE 73 HD11 ILE 73 22.067 -2.578 -15.363 528 2HD1 ILE 73 HD12 ILE 73 21.515 -1.409 -14.136 529 3HD1 ILE 73 HD13 ILE 73 22.716 -0.936 -15.338 530 H ARG 74 H ARG 74 24.073 -4.348 -9.647 531 HA ARG 74 HA ARG 74 23.144 -7.142 -9.963 532 1HB ARG 74 HB2 ARG 74 25.456 -6.278 -8.178 533 2HB ARG 74 HB3 ARG 74 24.643 -7.829 -8.054 534 1HG ARG 74 HG2 ARG 74 26.178 -6.906 -10.507 535 2HG ARG 74 HG3 ARG 74 26.810 -7.950 -9.230 536 1HD ARG 74 HD2 ARG 74 25.070 -9.633 -9.691 537 2HD ARG 74 HD3 ARG 74 24.409 -8.621 -10.976 538 HE ARG 74 HE ARG 74 26.844 -10.260 -11.013 539 1HH1 ARG 74 HH21 ARG 74 25.082 -7.609 -12.734 540 2HH1 ARG 74 HH22 ARG 74 26.029 -7.899 -14.197 541 1HH2 ARG 74 HH11 ARG 74 27.830 -10.586 -12.986 542 2HH2 ARG 74 HH12 ARG 74 27.550 -9.464 -14.348 543 H ILE 75 H ILE 75 21.845 -7.889 -8.303 544 HA ILE 75 HA ILE 75 20.840 -5.954 -6.292 545 HB ILE 75 HB ILE 75 20.329 -8.947 -6.678 546 1HG1 ILE 75 HG12 ILE 75 19.450 -7.779 -8.594 547 2HG1 ILE 75 HG13 ILE 75 18.142 -8.384 -7.593 548 1HG2 ILE 75 HG21 ILE 75 18.322 -8.567 -5.218 549 2HG2 ILE 75 HG22 ILE 75 19.862 -8.397 -4.379 550 3HG2 ILE 75 HG23 ILE 75 18.953 -6.946 -4.845 551 1HD1 ILE 75 HD11 ILE 75 17.739 -6.133 -6.677 552 2HD1 ILE 75 HD12 ILE 75 19.106 -5.496 -7.638 553 3HD1 ILE 75 HD13 ILE 75 17.662 -6.133 -8.446 554 H ILE 76 H ILE 76 21.469 -6.053 -4.065 555 HA ILE 76 HA ILE 76 23.370 -8.167 -3.273 556 HB ILE 76 HB ILE 76 23.971 -5.389 -2.329 557 1HG1 ILE 76 HG12 ILE 76 25.026 -6.486 -4.972 558 2HG1 ILE 76 HG13 ILE 76 24.020 -5.052 -4.753 559 1HG2 ILE 76 HG21 ILE 76 26.242 -6.352 -2.025 560 2HG2 ILE 76 HG22 ILE 76 25.069 -7.397 -1.277 561 3HG2 ILE 76 HG23 ILE 76 25.729 -7.834 -2.860 562 1HD1 ILE 76 HD11 ILE 76 26.216 -4.255 -5.099 563 2HD1 ILE 76 HD12 ILE 76 25.905 -4.054 -3.354 564 3HD1 ILE 76 HD13 ILE 76 26.917 -5.381 -3.934 565 H ASP 77 H ASP 77 23.527 -8.254 -0.843 566 HA ASP 77 HA ASP 77 20.921 -7.638 0.458 567 1HB ASP 77 HB2 ASP 77 21.010 -9.981 -0.240 568 2HB ASP 77 HB3 ASP 77 22.611 -10.173 0.474 569 HA PRO 78 HA PRO 78 23.320 -5.606 3.578 570 1HB PRO 78 HB2 PRO 78 21.666 -7.326 5.453 571 2HB PRO 78 HB3 PRO 78 22.172 -5.621 5.679 572 1HG PRO 78 HG2 PRO 78 19.736 -6.100 4.670 573 2HG PRO 78 HG3 PRO 78 20.802 -4.896 3.862 574 1HD PRO 78 HD2 PRO 78 20.219 -7.727 3.035 575 2HD PRO 78 HD3 PRO 78 20.374 -6.257 2.028 576 H ASP 79 H ASP 79 23.131 -9.154 3.945 577 HA ASP 79 HA ASP 79 25.253 -9.396 5.864 578 1HB ASP 79 HB2 ASP 79 23.560 -11.141 5.455 579 2HB ASP 79 HB3 ASP 79 24.192 -11.383 3.822 580 H ASP 80 H ASP 80 25.271 -8.837 2.435 581 HA ASP 80 HA ASP 80 28.149 -9.603 2.179 582 1HB ASP 80 HB2 ASP 80 26.497 -10.861 0.817 583 2HB ASP 80 HB3 ASP 80 25.972 -9.348 0.079 584 H ILE 81 H ILE 81 25.759 -7.058 1.628 585 HA ILE 81 HA ILE 81 27.255 -5.007 0.427 586 HB ILE 81 HB ILE 81 25.084 -5.136 2.520 587 1HG1 ILE 81 HG12 ILE 81 25.143 -4.162 -0.369 588 2HG1 ILE 81 HG13 ILE 81 24.567 -5.722 0.188 589 1HG2 ILE 81 HG21 ILE 81 24.660 -2.767 2.525 590 2HG2 ILE 81 HG22 ILE 81 26.306 -3.034 3.073 591 3HG2 ILE 81 HG23 ILE 81 26.012 -2.471 1.435 592 1HD1 ILE 81 HD11 ILE 81 23.291 -3.027 0.598 593 2HD1 ILE 81 HD12 ILE 81 22.618 -4.516 -0.112 594 3HD1 ILE 81 HD13 ILE 81 22.869 -4.418 1.631 595 H ALA 82 H ALA 82 27.242 -6.123 3.782 596 HA ALA 82 HA ALA 82 28.657 -4.111 5.029 597 1HB ALA 82 HB1 ALA 82 27.503 -6.017 6.149 598 2HB ALA 82 HB2 ALA 82 28.775 -7.114 5.554 599 3HB ALA 82 HB3 ALA 82 29.173 -5.842 6.729 600 H GLU 83 H GLU 83 29.988 -6.471 2.796 601 HA GLU 83 HA GLU 83 32.727 -5.430 3.420 602 1HB GLU 83 HB2 GLU 83 31.914 -8.144 2.316 603 2HB GLU 83 HB3 GLU 83 33.570 -7.522 2.363 604 1HG GLU 83 HG2 GLU 83 33.402 -7.301 4.847 605 2HG GLU 83 HG3 GLU 83 31.792 -8.021 4.791 606 H MET 84 H MET 84 30.323 -6.231 0.913 607 HA MET 84 HA MET 84 32.174 -5.657 -1.192 608 1HB MET 84 HB2 MET 84 29.148 -5.970 -1.267 609 2HB MET 84 HB3 MET 84 30.155 -5.733 -2.696 610 1HG MET 84 HG2 MET 84 30.266 -8.047 -0.746 611 2HG MET 84 HG3 MET 84 29.769 -8.090 -2.426 612 1HE MET 84 HE1 MET 84 31.579 -7.779 -4.518 613 2HE MET 84 HE2 MET 84 32.186 -6.282 -3.767 614 3HE MET 84 HE3 MET 84 33.315 -7.569 -4.236 615 H PHE 85 H PHE 85 30.039 -3.448 0.591 616 HA PHE 85 HA PHE 85 30.361 -1.307 -1.347 617 1HB PHE 85 HB2 PHE 85 29.547 -1.471 1.541 618 2HB PHE 85 HB3 PHE 85 30.167 0.055 0.923 619 HD1 PHE 85 HD1 PHE 85 27.824 -2.601 -0.436 620 HD2 PHE 85 HD2 PHE 85 28.517 1.590 0.377 621 HE1 PHE 85 HE1 PHE 85 25.538 -2.047 -1.208 622 HE2 PHE 85 HE2 PHE 85 26.243 2.116 -0.423 623 HZ PHE 85 HZ PHE 85 24.719 0.289 -1.086 624 H MET 86 H MET 86 32.213 -2.203 1.613 625 HA MET 86 HA MET 86 34.195 -0.188 0.982 626 1HB MET 86 HB2 MET 86 35.376 -0.846 2.933 627 2HB MET 86 HB3 MET 86 33.669 -0.672 3.298 628 1HG MET 86 HG2 MET 86 33.365 -3.112 3.284 629 2HG MET 86 HG3 MET 86 35.057 -3.340 2.816 630 1HE MET 86 HE1 MET 86 33.763 -4.866 5.354 631 2HE MET 86 HE2 MET 86 35.425 -5.042 4.742 632 3HE MET 86 HE3 MET 86 35.136 -4.709 6.463 633 H MET 87 H MET 87 33.681 -2.947 -0.696 634 HA MET 87 HA MET 87 36.345 -3.918 -1.098 635 1HB MET 87 HB2 MET 87 34.184 -4.980 -1.900 636 2HB MET 87 HB3 MET 87 34.082 -3.706 -3.119 637 1HG MET 87 HG2 MET 87 34.993 -5.752 -4.072 638 2HG MET 87 HG3 MET 87 36.170 -4.452 -4.128 639 1HE MET 87 HE1 MET 87 36.419 -8.126 -1.283 640 2HE MET 87 HE2 MET 87 35.203 -6.858 -1.045 641 3HE MET 87 HE3 MET 87 35.151 -7.881 -2.501 642 H THR 88 H THR 88 34.635 -1.003 -2.050 643 HA THR 88 HA THR 88 36.423 0.087 -3.996 644 HB THR 88 HB THR 88 35.362 2.228 -3.213 645 HG1 THR 88 HG1 THR 88 33.729 0.747 -1.467 646 1HG2 THR 88 HG21 THR 88 33.031 1.716 -3.763 647 2HG2 THR 88 HG22 THR 88 34.135 0.898 -4.879 648 3HG2 THR 88 HG23 THR 88 33.336 -0.026 -3.588 649 H THR 89 H THR 89 37.065 -0.748 -0.777 650 HA THR 89 HA THR 89 38.571 -0.336 0.734 651 HB THR 89 HB THR 89 40.096 1.477 -1.162 652 HG1 THR 89 HG1 THR 89 39.530 -0.501 -2.177 653 1HG2 THR 89 HG21 THR 89 41.150 1.372 1.035 654 2HG2 THR 89 HG22 THR 89 40.984 -0.395 1.081 655 3HG2 THR 89 HG23 THR 89 42.084 0.382 -0.081 656 H HIS 90 H HIS 90 36.260 1.875 -0.102 657 HA HIS 90 HA HIS 90 36.871 3.424 2.311 658 1HB HIS 90 HB2 HIS 90 36.938 5.577 1.290 659 2HB HIS 90 HB3 HIS 90 38.198 4.575 0.588 660 HD1 HIS 90 HD1 HIS 90 37.483 3.549 -2.014 661 HD2 HIS 90 HD2 HIS 90 35.329 6.785 -0.374 662 HE1 HIS 90 HE1 HIS 90 36.272 4.661 -3.945 663 H ASN 91 H ASN 91 34.429 2.642 -0.210 664 HA ASN 91 HA ASN 91 32.475 4.483 0.777 665 1HB ASN 91 HB2 ASN 91 32.398 3.047 -1.394 666 2HB ASN 91 HB3 ASN 91 31.758 1.769 -0.340 667 1HD2 ASN 91 HD22 ASN 91 30.121 2.481 -2.356 668 2HD2 ASN 91 HD21 ASN 91 28.821 3.521 -1.828 669 H MET 92 H MET 92 30.881 4.219 2.379 670 HA MET 92 HA MET 92 31.786 2.812 4.678 671 1HB MET 92 HB2 MET 92 29.066 4.092 4.126 672 2HB MET 92 HB3 MET 92 29.662 3.558 5.699 673 1HG MET 92 HG2 MET 92 30.015 5.854 5.713 674 2HG MET 92 HG3 MET 92 31.607 5.168 5.412 675 1HE MET 92 HE1 MET 92 31.765 8.601 3.540 676 2HE MET 92 HE2 MET 92 30.955 8.237 5.079 677 3HE MET 92 HE3 MET 92 32.546 7.524 4.720 678 HA PRO 93 HA PRO 93 29.666 -1.131 3.992 679 1HB PRO 93 HB2 PRO 93 29.725 -2.221 6.483 680 2HB PRO 93 HB3 PRO 93 31.210 -1.929 5.533 681 1HG PRO 93 HG2 PRO 93 30.018 -0.131 7.669 682 2HG PRO 93 HG3 PRO 93 31.702 -0.741 7.551 683 1HD PRO 93 HD2 PRO 93 30.996 1.715 6.607 684 2HD PRO 93 HD3 PRO 93 32.198 0.705 5.749 685 H LEU 94 H LEU 94 27.926 0.545 3.534 686 HA LEU 94 HA LEU 94 26.111 1.573 5.245 687 1HB LEU 94 HB2 LEU 94 26.444 1.225 2.361 688 2HB LEU 94 HB3 LEU 94 24.741 1.315 2.782 689 HG LEU 94 HG LEU 94 26.802 3.322 3.797 690 1HD1 LEU 94 HD11 LEU 94 26.790 3.473 1.379 691 2HD1 LEU 94 HD12 LEU 94 25.010 3.544 1.348 692 3HD1 LEU 94 HD13 LEU 94 25.959 4.872 2.059 693 1HD2 LEU 94 HD21 LEU 94 23.760 3.481 3.623 694 2HD2 LEU 94 HD22 LEU 94 24.703 3.252 5.111 695 3HD2 LEU 94 HD23 LEU 94 24.843 4.762 4.214 696 H ASN 95 H ASN 95 26.156 -1.700 4.910 697 HA ASN 95 HA ASN 95 23.419 -2.435 5.106 698 1HB ASN 95 HB2 ASN 95 24.134 -4.462 5.823 699 2HB ASN 95 HB3 ASN 95 25.637 -3.936 5.103 700 1HD2 ASN 95 HD22 ASN 95 27.118 -2.597 6.928 701 2HD2 ASN 95 HD21 ASN 95 27.185 -3.467 8.431 702 H TYR 96 H TYR 96 25.563 -0.759 7.387 703 HA TYR 96 HA TYR 96 24.066 -1.128 9.739 704 1HB TYR 96 HB2 TYR 96 25.324 0.604 10.663 705 2HB TYR 96 HB3 TYR 96 26.392 -0.114 9.470 706 HD1 TYR 96 HD1 TYR 96 24.256 2.840 10.266 707 HD2 TYR 96 HD2 TYR 96 27.227 1.203 7.603 708 HE1 TYR 96 HE1 TYR 96 24.552 5.069 9.232 709 HE2 TYR 96 HE2 TYR 96 27.514 3.421 6.551 710 HH TYR 96 HH TYR 96 26.861 5.661 6.543 711 H LEU 97 H LEU 97 23.581 1.190 7.045 712 HA LEU 97 HA LEU 97 21.501 2.712 8.367 713 1HB LEU 97 HB2 LEU 97 22.791 3.693 6.603 714 2HB LEU 97 HB3 LEU 97 22.360 2.429 5.456 715 HG LEU 97 HG LEU 97 20.089 3.991 6.662 716 1HD1 LEU 97 HD11 LEU 97 20.354 5.843 5.118 717 2HD1 LEU 97 HD12 LEU 97 21.821 5.710 6.100 718 3HD1 LEU 97 HD13 LEU 97 21.827 5.109 4.432 719 1HD2 LEU 97 HD21 LEU 97 19.187 3.820 4.351 720 2HD2 LEU 97 HD22 LEU 97 20.673 3.008 3.822 721 3HD2 LEU 97 HD23 LEU 97 19.586 2.223 4.979 722 H ILE 98 H ILE 98 21.601 -0.023 6.048 723 HA ILE 98 HA ILE 98 18.802 -0.202 5.650 724 HB ILE 98 HB ILE 98 20.928 -2.380 5.537 725 1HG1 ILE 98 HG12 ILE 98 19.679 -0.695 3.321 726 2HG1 ILE 98 HG13 ILE 98 21.267 -0.385 4.012 727 1HG2 ILE 98 HG21 ILE 98 18.842 -3.515 5.717 728 2HG2 ILE 98 HG22 ILE 98 18.006 -2.328 4.703 729 3HG2 ILE 98 HG23 ILE 98 19.131 -3.470 3.977 730 1HD1 ILE 98 HD11 ILE 98 22.017 -2.655 3.259 731 2HD1 ILE 98 HD12 ILE 98 20.485 -2.805 2.360 732 3HD1 ILE 98 HD13 ILE 98 21.623 -1.513 1.961 733 H ASP 99 H ASP 99 20.911 -1.637 8.199 734 HA ASP 99 HA ASP 99 18.884 -3.184 9.378 735 1HB ASP 99 HB2 ASP 99 21.329 -3.372 9.823 736 2HB ASP 99 HB3 ASP 99 21.255 -1.876 10.762 737 H GLN 100 H GLN 100 19.178 0.278 9.404 738 HA GLN 100 HA GLN 100 17.590 0.618 11.878 739 1HB GLN 100 HB2 GLN 100 18.215 2.768 9.828 740 2HB GLN 100 HB3 GLN 100 17.732 2.964 11.505 741 1HG GLN 100 HG2 GLN 100 20.406 2.130 10.403 742 2HG GLN 100 HG3 GLN 100 20.034 3.517 11.401 743 1HE2 GLN 100 HE22 GLN 100 21.529 0.584 11.489 744 2HE2 GLN 100 HE21 GLN 100 21.348 0.185 13.192 745 H LEU 101 H LEU 101 16.937 -0.203 8.650 746 HA LEU 101 HA LEU 101 14.227 1.070 8.674 747 1HB LEU 101 HB2 LEU 101 16.303 0.713 6.481 748 2HB LEU 101 HB3 LEU 101 14.631 1.094 6.127 749 HG LEU 101 HG LEU 101 16.369 2.847 7.916 750 1HD1 LEU 101 HD11 LEU 101 15.752 3.219 4.962 751 2HD1 LEU 101 HD12 LEU 101 16.685 4.311 6.009 752 3HD1 LEU 101 HD13 LEU 101 17.311 2.701 5.638 753 1HD2 LEU 101 HD21 LEU 101 14.631 4.582 7.329 754 2HD2 LEU 101 HD22 LEU 101 13.696 3.325 6.519 755 3HD2 LEU 101 HD23 LEU 101 13.981 3.232 8.270 756 H LYS 102 H LYS 102 16.098 -1.842 7.845 757 HA LYS 102 HA LYS 102 13.971 -3.218 6.577 758 1HB LYS 102 HB2 LYS 102 15.352 -5.052 6.559 759 2HB LYS 102 HB3 LYS 102 16.519 -3.740 6.704 760 1HG LYS 102 HG2 LYS 102 16.536 -4.197 9.233 761 2HG LYS 102 HG3 LYS 102 15.543 -5.627 8.877 762 1HD LYS 102 HD2 LYS 102 17.469 -6.169 7.141 763 2HD LYS 102 HD3 LYS 102 18.429 -5.085 8.144 764 1HE LYS 102 HE2 LYS 102 16.990 -7.641 8.970 765 2HE LYS 102 HE3 LYS 102 18.737 -7.411 8.823 766 1HZ LYS 102 HZ1 LYS 102 18.133 -7.334 11.096 767 2HZ LYS 102 HZ2 LYS 102 18.533 -5.797 10.720 768 3HZ LYS 102 HZ3 LYS 102 16.942 -6.252 10.872 769 H GLU 103 H GLU 103 14.528 -2.602 9.968 770 HA GLU 103 HA GLU 103 12.657 -4.562 10.953 771 1HB GLU 103 HB2 GLU 103 13.866 -2.072 12.235 772 2HB GLU 103 HB3 GLU 103 12.989 -3.334 13.098 773 1HG GLU 103 HG2 GLU 103 15.660 -3.635 11.676 774 2HG GLU 103 HG3 GLU 103 15.392 -3.571 13.413 775 H ASP 104 H ASP 104 12.174 -1.700 9.202 776 HA ASP 104 HA ASP 104 9.589 -1.038 10.547 777 1HB ASP 104 HB2 ASP 104 11.532 0.467 11.078 778 2HB ASP 104 HB3 ASP 104 11.665 0.843 9.359 779 H ILE 105 H ILE 105 10.943 -2.155 7.686 780 HA ILE 105 HA ILE 105 8.792 -1.052 5.961 781 HB ILE 105 HB ILE 105 11.793 -1.169 5.421 782 1HG1 ILE 105 HG12 ILE 105 9.810 1.143 5.525 783 2HG1 ILE 105 HG13 ILE 105 11.074 0.801 6.701 784 1HG2 ILE 105 HG21 ILE 105 10.680 -1.945 3.411 785 2HG2 ILE 105 HG22 ILE 105 9.558 -0.566 3.443 786 3HG2 ILE 105 HG23 ILE 105 11.291 -0.337 3.134 787 1HD1 ILE 105 HD11 ILE 105 12.797 1.190 4.928 788 2HD1 ILE 105 HD12 ILE 105 11.502 1.769 3.870 789 3HD1 ILE 105 HD13 ILE 105 11.820 2.609 5.386 790 H GLY 106 H GLY 106 8.075 -2.544 4.393 791 1HA GLY 106 HA2 GLY 106 8.087 -5.235 5.316 792 2HA GLY 106 HA3 GLY 106 7.325 -4.611 3.846 793 H GLU 107 H GLU 107 9.708 -3.661 2.462 794 HA GLU 107 HA GLU 107 11.407 -6.067 2.129 795 1HB GLU 107 HB2 GLU 107 9.463 -6.291 0.653 796 2HB GLU 107 HB3 GLU 107 9.671 -4.643 0.052 797 1HG GLU 107 HG2 GLU 107 11.681 -5.221 -1.110 798 2HG GLU 107 HG3 GLU 107 11.796 -6.782 -0.287 799 H VAL 108 H VAL 108 13.534 -5.325 2.067 800 HA VAL 108 HA VAL 108 14.003 -2.571 1.079 801 HB VAL 108 HB VAL 108 15.382 -3.775 3.505 802 1HG1 VAL 108 HG11 VAL 108 16.881 -2.281 2.294 803 2HG1 VAL 108 HG12 VAL 108 15.591 -1.088 2.056 804 3HG1 VAL 108 HG13 VAL 108 16.245 -1.375 3.677 805 1HG2 VAL 108 HG21 VAL 108 13.114 -3.153 4.127 806 2HG2 VAL 108 HG22 VAL 108 14.232 -1.923 4.741 807 3HG2 VAL 108 HG23 VAL 108 13.275 -1.596 3.286 808 H ILE 109 H ILE 109 15.522 -2.474 -0.444 809 HA ILE 109 HA ILE 109 17.140 -4.903 -1.087 810 HB ILE 109 HB ILE 109 15.620 -3.144 -3.034 811 1HG1 ILE 109 HG12 ILE 109 14.532 -5.900 -2.812 812 2HG1 ILE 109 HG13 ILE 109 14.159 -4.895 -1.430 813 1HG2 ILE 109 HG21 ILE 109 16.956 -5.862 -3.404 814 2HG2 ILE 109 HG22 ILE 109 15.941 -5.076 -4.629 815 3HG2 ILE 109 HG23 ILE 109 17.443 -4.315 -4.134 816 1HD1 ILE 109 HD11 ILE 109 13.139 -3.195 -2.759 817 2HD1 ILE 109 HD12 ILE 109 13.713 -3.934 -4.276 818 3HD1 ILE 109 HD13 ILE 109 12.474 -4.750 -3.279 819 H PHE 110 H PHE 110 19.049 -4.364 -2.372 820 HA PHE 110 HA PHE 110 19.570 -1.500 -2.841 821 1HB PHE 110 HB2 PHE 110 20.887 -2.001 -0.844 822 2HB PHE 110 HB3 PHE 110 21.511 -3.465 -1.618 823 HD1 PHE 110 HD1 PHE 110 21.492 0.269 -1.914 824 HD2 PHE 110 HD2 PHE 110 23.419 -3.389 -3.058 825 HE1 PHE 110 HE1 PHE 110 23.211 1.570 -3.100 826 HE2 PHE 110 HE2 PHE 110 25.198 -2.077 -4.188 827 HZ PHE 110 HZ PHE 110 25.076 0.384 -4.266 828 H LEU 111 H LEU 111 20.639 -1.140 -4.742 829 HA LEU 111 HA LEU 111 21.354 -3.456 -6.465 830 1HB LEU 111 HB2 LEU 111 19.218 -2.560 -7.136 831 2HB LEU 111 HB3 LEU 111 19.834 -0.905 -7.113 832 HG LEU 111 HG LEU 111 21.199 -2.906 -8.904 833 1HD1 LEU 111 HD11 LEU 111 18.810 -3.308 -9.332 834 2HD1 LEU 111 HD12 LEU 111 18.533 -1.565 -9.550 835 3HD1 LEU 111 HD13 LEU 111 19.545 -2.469 -10.697 836 1HD2 LEU 111 HD21 LEU 111 22.133 -0.635 -8.883 837 2HD2 LEU 111 HD22 LEU 111 21.310 -0.871 -10.407 838 3HD2 LEU 111 HD23 LEU 111 20.521 0.069 -9.138 839 H GLY 112 H GLY 112 23.450 -3.336 -7.016 840 1HA GLY 112 HA2 GLY 112 24.954 -0.797 -6.548 841 2HA GLY 112 HA3 GLY 112 25.616 -2.426 -6.421 842 H ILE 113 H ILE 113 26.609 -0.279 -8.061 843 HA ILE 113 HA ILE 113 26.357 -1.468 -10.777 844 HB ILE 113 HB ILE 113 26.407 1.470 -9.973 845 1HG1 ILE 113 HG12 ILE 113 24.242 0.123 -11.627 846 2HG1 ILE 113 HG13 ILE 113 24.150 0.141 -9.873 847 1HG2 ILE 113 HG21 ILE 113 26.243 1.943 -12.437 848 2HG2 ILE 113 HG22 ILE 113 27.761 1.186 -11.989 849 3HG2 ILE 113 HG23 ILE 113 26.491 0.210 -12.753 850 1HD1 ILE 113 HD11 ILE 113 24.214 2.550 -9.799 851 2HD1 ILE 113 HD12 ILE 113 24.302 2.641 -11.580 852 3HD1 ILE 113 HD13 ILE 113 22.862 1.975 -10.787 853 H GLN 114 H GLN 114 28.354 -2.052 -11.538 854 HA GLN 114 HA GLN 114 30.720 -1.768 -10.010 855 1HB GLN 114 HB2 GLN 114 30.339 -3.612 -11.558 856 2HB GLN 114 HB3 GLN 114 30.261 -2.501 -12.921 857 1HG GLN 114 HG2 GLN 114 32.409 -3.618 -12.877 858 2HG GLN 114 HG3 GLN 114 32.651 -1.909 -12.603 859 1HE2 GLN 114 HE22 GLN 114 34.125 -1.485 -10.948 860 2HE2 GLN 114 HE21 GLN 114 34.490 -2.623 -9.637 861 HA PRO 115 HA PRO 115 31.853 2.350 -11.742 862 1HB PRO 115 HB2 PRO 115 33.764 3.047 -9.968 863 2HB PRO 115 HB3 PRO 115 32.033 3.058 -9.509 864 1HG PRO 115 HG2 PRO 115 34.068 0.860 -8.997 865 2HG PRO 115 HG3 PRO 115 32.954 1.631 -7.820 866 1HD PRO 115 HD2 PRO 115 32.351 -0.707 -9.102 867 2HD PRO 115 HD3 PRO 115 31.105 0.495 -8.678 868 H ASP 116 H ASP 116 33.925 3.189 -12.551 869 HA ASP 116 HA ASP 116 36.131 1.230 -12.943 870 1HB ASP 116 HB2 ASP 116 34.821 1.424 -15.031 871 2HB ASP 116 HB3 ASP 116 35.025 3.174 -15.006 872 H ILE 117 H ILE 117 35.036 4.643 -12.508 873 HA ILE 117 HA ILE 117 37.745 5.217 -11.459 874 HB ILE 117 HB ILE 117 38.036 7.224 -12.524 875 1HG1 ILE 117 HG12 ILE 117 36.151 8.021 -14.293 876 2HG1 ILE 117 HG13 ILE 117 35.095 7.250 -13.116 877 1HG2 ILE 117 HG21 ILE 117 36.839 5.574 -14.768 878 2HG2 ILE 117 HG22 ILE 117 38.060 6.852 -14.891 879 3HG2 ILE 117 HG23 ILE 117 38.463 5.338 -14.063 880 1HD1 ILE 117 HD11 ILE 117 35.357 9.600 -12.591 881 2HD1 ILE 117 HD12 ILE 117 36.204 8.693 -11.328 882 3HD1 ILE 117 HD13 ILE 117 37.127 9.463 -12.630 883 H VAL 118 H VAL 118 37.730 6.302 -9.530 884 HA VAL 118 HA VAL 118 35.278 7.665 -8.632 885 HB VAL 118 HB VAL 118 36.688 5.474 -7.038 886 1HG1 VAL 118 HG11 VAL 118 34.357 7.297 -6.304 887 2HG1 VAL 118 HG12 VAL 118 34.857 5.886 -5.361 888 3HG1 VAL 118 HG13 VAL 118 35.956 7.258 -5.534 889 1HG2 VAL 118 HG21 VAL 118 35.186 4.443 -8.668 890 2HG2 VAL 118 HG22 VAL 118 34.476 4.315 -7.062 891 3HG2 VAL 118 HG23 VAL 118 33.865 5.537 -8.198 892 H GLY 119 H GLY 119 35.830 9.495 -7.503 893 1HA GLY 119 HA2 GLY 119 37.827 10.138 -5.836 894 2HA GLY 119 HA3 GLY 119 38.648 10.311 -7.398 895 H PHE 120 H PHE 120 38.025 12.474 -5.535 896 HA PHE 120 HA PHE 120 35.648 13.865 -6.284 897 1HB PHE 120 HB2 PHE 120 36.919 14.100 -4.136 898 2HB PHE 120 HB3 PHE 120 38.210 14.910 -5.017 899 HD1 PHE 120 HD1 PHE 120 34.532 15.110 -4.245 900 HD2 PHE 120 HD2 PHE 120 38.103 17.278 -5.341 901 HE1 PHE 120 HE1 PHE 120 33.329 17.260 -3.940 902 HE2 PHE 120 HE2 PHE 120 36.890 19.421 -5.040 903 HZ PHE 120 HZ PHE 120 34.503 19.416 -4.334 904 H TYR 121 H TYR 121 35.433 15.685 -7.465 905 HA TYR 121 HA TYR 121 35.523 17.035 -9.228 906 1HB TYR 121 HB2 TYR 121 37.637 17.781 -7.906 907 2HB TYR 121 HB3 TYR 121 38.551 17.010 -9.184 908 HD1 TYR 121 HD1 TYR 121 36.207 19.751 -8.316 909 HD2 TYR 121 HD2 TYR 121 38.761 18.108 -11.377 910 HE1 TYR 121 HE1 TYR 121 35.987 21.848 -9.615 911 HE2 TYR 121 HE2 TYR 121 38.561 20.199 -12.680 912 HH TYR 121 HH TYR 121 37.624 22.333 -12.782 913 H TYR 122 H TYR 122 35.282 14.195 -9.669 914 HA TYR 122 HA TYR 122 36.277 14.106 -12.484 915 1HB TYR 122 HB2 TYR 122 35.836 11.735 -10.649 916 2HB TYR 122 HB3 TYR 122 36.244 11.681 -12.352 917 HD1 TYR 122 HD1 TYR 122 37.609 10.291 -10.024 918 HD2 TYR 122 HD2 TYR 122 38.509 13.901 -12.209 919 HE1 TYR 122 HE1 TYR 122 40.006 9.924 -9.612 920 HE2 TYR 122 HE2 TYR 122 40.909 13.583 -11.749 921 HH TYR 122 HH TYR 122 42.174 10.769 -9.895 922 HA PRO 123 HA PRO 123 31.884 13.536 -13.242 923 1HB PRO 123 HB2 PRO 123 31.877 12.952 -15.876 924 2HB PRO 123 HB3 PRO 123 32.442 14.549 -15.296 925 1HG PRO 123 HG2 PRO 123 34.117 12.130 -16.032 926 2HG PRO 123 HG3 PRO 123 34.343 13.831 -16.552 927 1HD PRO 123 HD2 PRO 123 35.676 12.660 -14.421 928 2HD PRO 123 HD3 PRO 123 35.315 14.415 -14.511 929 H MET 124 H MET 124 30.380 11.784 -13.958 930 HA MET 124 HA MET 124 31.206 9.084 -13.259 931 1HB MET 124 HB2 MET 124 28.938 10.004 -12.867 932 2HB MET 124 HB3 MET 124 28.704 10.200 -14.612 933 1HG MET 124 HG2 MET 124 28.983 7.734 -14.890 934 2HG MET 124 HG3 MET 124 29.122 7.567 -13.143 935 1HE MET 124 HE1 MET 124 25.591 8.481 -11.852 936 2HE MET 124 HE2 MET 124 27.261 8.015 -11.449 937 3HE MET 124 HE3 MET 124 26.897 9.660 -12.029 938 H THR 125 H THR 125 31.910 7.534 -14.683 939 HA THR 125 HA THR 125 32.650 8.297 -17.371 940 HB THR 125 HB THR 125 32.807 5.438 -16.787 941 HG1 THR 125 HG1 THR 125 33.008 6.167 -14.593 942 1HG2 THR 125 HG21 THR 125 35.178 5.775 -17.270 943 2HG2 THR 125 HG22 THR 125 34.204 6.656 -18.458 944 3HG2 THR 125 HG23 THR 125 34.988 7.536 -17.118 945 H GLN 126 H GLN 126 32.110 6.921 -19.225 946 HA GLN 126 HA GLN 126 29.379 7.234 -19.716 947 1HB GLN 126 HB2 GLN 126 31.295 7.369 -21.325 948 2HB GLN 126 HB3 GLN 126 31.315 5.614 -21.425 949 1HG GLN 126 HG2 GLN 126 28.752 7.165 -21.975 950 2HG GLN 126 HG3 GLN 126 30.030 7.126 -23.176 951 1HE2 GLN 126 HE22 GLN 126 27.686 5.062 -21.431 952 2HE2 GLN 126 HE21 GLN 126 27.739 3.763 -22.606 953 HA PRO 127 HA PRO 127 28.648 2.558 -19.673 954 1HB PRO 127 HB2 PRO 127 30.148 0.912 -18.008 955 2HB PRO 127 HB3 PRO 127 30.417 1.151 -19.758 956 1HG PRO 127 HG2 PRO 127 31.821 2.502 -17.449 957 2HG PRO 127 HG3 PRO 127 32.533 1.830 -18.948 958 1HD PRO 127 HD2 PRO 127 32.079 4.468 -18.647 959 2HD PRO 127 HD3 PRO 127 31.806 3.676 -20.224 960 H ILE 128 H ILE 128 29.664 4.291 -16.721 961 HA ILE 128 HA ILE 128 27.656 2.884 -15.116 962 HB ILE 128 HB ILE 128 29.555 5.155 -14.492 963 1HG1 ILE 128 HG12 ILE 128 30.413 3.493 -12.830 964 2HG1 ILE 128 HG13 ILE 128 29.281 2.295 -13.423 965 1HG2 ILE 128 HG21 ILE 128 28.790 5.069 -12.168 966 2HG2 ILE 128 HG22 ILE 128 27.420 5.464 -13.193 967 3HG2 ILE 128 HG23 ILE 128 27.587 3.828 -12.565 968 1HD1 ILE 128 HD11 ILE 128 31.691 2.066 -14.175 969 2HD1 ILE 128 HD12 ILE 128 30.482 2.023 -15.455 970 3HD1 ILE 128 HD13 ILE 128 31.446 3.511 -15.170 971 H LYS 129 H LYS 129 27.981 5.984 -16.854 972 HA LYS 129 HA LYS 129 25.416 7.053 -16.168 973 1HB LYS 129 HB2 LYS 129 26.960 7.237 -18.795 974 2HB LYS 129 HB3 LYS 129 25.455 8.090 -18.473 975 1HG LYS 129 HG2 LYS 129 26.462 9.335 -16.644 976 2HG LYS 129 HG3 LYS 129 27.992 8.455 -16.836 977 1HD LYS 129 HD2 LYS 129 28.305 9.346 -19.080 978 2HD LYS 129 HD3 LYS 129 26.706 10.122 -19.041 979 1HE LYS 129 HE2 LYS 129 27.407 11.535 -17.143 980 2HE LYS 129 HE3 LYS 129 28.995 10.760 -17.132 981 1HZ LYS 129 HZ1 LYS 129 29.391 11.669 -19.345 982 2HZ LYS 129 HZ2 LYS 129 27.915 12.375 -19.372 983 3HZ LYS 129 HZ3 LYS 129 29.040 12.873 -18.307 984 H ASP 130 H ASP 130 26.359 4.751 -18.753 985 HA ASP 130 HA ASP 130 23.726 4.325 -19.749 986 1HB ASP 130 HB2 ASP 130 25.705 3.665 -21.000 987 2HB ASP 130 HB3 ASP 130 26.151 2.497 -19.755 988 H ALA 131 H ALA 131 25.520 2.698 -17.126 989 HA ALA 131 HA ALA 131 23.542 0.742 -16.564 990 1HB ALA 131 HB1 ALA 131 25.854 0.685 -15.677 991 2HB ALA 131 HB2 ALA 131 25.480 2.066 -14.626 992 3HB ALA 131 HB3 ALA 131 24.637 0.527 -14.393 993 H VAL 132 H VAL 132 24.002 4.061 -15.162 994 HA VAL 132 HA VAL 132 21.721 3.920 -13.463 995 HB VAL 132 HB VAL 132 23.276 6.246 -14.662 996 1HG1 VAL 132 HG11 VAL 132 21.135 7.209 -14.214 997 2HG1 VAL 132 HG12 VAL 132 20.948 6.283 -12.715 998 3HG1 VAL 132 HG13 VAL 132 22.133 7.596 -12.804 999 1HG2 VAL 132 HG21 VAL 132 24.469 4.834 -12.968 1000 2HG2 VAL 132 HG22 VAL 132 24.159 6.471 -12.380 1001 3HG2 VAL 132 HG23 VAL 132 23.148 5.124 -11.819 1002 H GLU 133 H GLU 133 22.037 4.959 -16.908 1003 HA GLU 133 HA GLU 133 19.319 5.733 -17.244 1004 1HB GLU 133 HB2 GLU 133 21.147 6.301 -18.792 1005 2HB GLU 133 HB3 GLU 133 21.362 4.607 -19.201 1006 1HG GLU 133 HG2 GLU 133 20.186 5.756 -20.969 1007 2HG GLU 133 HG3 GLU 133 19.172 4.512 -20.259 1008 H THR 134 H THR 134 20.896 2.534 -17.304 1009 HA THR 134 HA THR 134 18.594 1.098 -18.277 1010 HB THR 134 HB THR 134 20.991 0.088 -16.693 1011 HG1 THR 134 HG1 THR 134 21.628 1.124 -18.594 1012 1HG2 THR 134 HG21 THR 134 19.174 -1.572 -16.774 1013 2HG2 THR 134 HG22 THR 134 19.043 -1.364 -18.534 1014 3HG2 THR 134 HG23 THR 134 20.515 -2.062 -17.817 1015 H VAL 135 H VAL 135 19.868 1.815 -14.942 1016 HA VAL 135 HA VAL 135 17.771 0.389 -13.607 1017 HB VAL 135 HB VAL 135 19.454 2.760 -12.683 1018 1HG1 VAL 135 HG11 VAL 135 17.716 0.828 -11.073 1019 2HG1 VAL 135 HG12 VAL 135 18.877 1.976 -10.375 1020 3HG1 VAL 135 HG13 VAL 135 17.463 2.577 -11.247 1021 1HG2 VAL 135 HG21 VAL 135 20.790 1.072 -11.527 1022 2HG2 VAL 135 HG22 VAL 135 19.753 -0.233 -12.162 1023 3HG2 VAL 135 HG23 VAL 135 20.780 0.716 -13.246 1024 H TYR 136 H TYR 136 18.067 3.834 -14.624 1025 HA TYR 136 HA TYR 136 15.675 4.827 -13.619 1026 1HB TYR 136 HB2 TYR 136 17.194 6.363 -14.532 1027 2HB TYR 136 HB3 TYR 136 17.372 5.461 -16.023 1028 HD1 TYR 136 HD1 TYR 136 14.839 7.500 -14.119 1029 HD2 TYR 136 HD2 TYR 136 16.173 6.003 -17.946 1030 HE1 TYR 136 HE1 TYR 136 13.173 8.941 -15.265 1031 HE2 TYR 136 HE2 TYR 136 14.500 7.409 -19.090 1032 HH TYR 136 HH TYR 136 12.789 8.956 -18.848 1033 H GLN 137 H GLN 137 16.115 3.266 -16.893 1034 HA GLN 137 HA GLN 137 13.268 3.414 -17.325 1035 1HB GLN 137 HB2 GLN 137 13.623 2.164 -19.348 1036 2HB GLN 137 HB3 GLN 137 14.819 3.443 -19.171 1037 1HG GLN 137 HG2 GLN 137 16.375 1.605 -18.226 1038 2HG GLN 137 HG3 GLN 137 15.219 0.443 -18.879 1039 1HE2 GLN 137 HE21 GLN 137 17.475 3.094 -19.630 1040 2HE2 GLN 137 HE22 GLN 137 17.691 2.701 -21.330 1041 H ARG 138 H ARG 138 15.345 0.888 -15.894 1042 HA ARG 138 HA ARG 138 13.337 -1.147 -15.986 1043 1HB ARG 138 HB2 ARG 138 15.865 -1.456 -15.476 1044 2HB ARG 138 HB3 ARG 138 15.485 -0.922 -13.839 1045 1HG ARG 138 HG2 ARG 138 15.390 -3.273 -13.690 1046 2HG ARG 138 HG3 ARG 138 13.709 -2.833 -13.820 1047 1HD ARG 138 HD2 ARG 138 13.839 -4.578 -15.316 1048 2HD ARG 138 HD3 ARG 138 14.065 -3.228 -16.422 1049 HE ARG 138 HE ARG 138 16.086 -5.122 -15.332 1050 1HH1 ARG 138 HH21 ARG 138 15.390 -2.597 -17.743 1051 2HH1 ARG 138 HH22 ARG 138 16.844 -2.852 -18.633 1052 1HH2 ARG 138 HH11 ARG 138 18.038 -5.401 -16.461 1053 2HH2 ARG 138 HH12 ARG 138 18.388 -4.499 -17.887 1054 H LEU 139 H LEU 139 13.875 1.487 -13.662 1055 HA LEU 139 HA LEU 139 12.273 0.538 -11.564 1056 1HB LEU 139 HB2 LEU 139 12.794 3.342 -12.588 1057 2HB LEU 139 HB3 LEU 139 11.821 3.065 -11.157 1058 HG LEU 139 HG LEU 139 14.685 2.071 -11.384 1059 1HD1 LEU 139 HD11 LEU 139 15.254 4.056 -10.006 1060 2HD1 LEU 139 HD12 LEU 139 14.616 4.516 -11.595 1061 3HD1 LEU 139 HD13 LEU 139 13.579 4.636 -10.167 1062 1HD2 LEU 139 HD21 LEU 139 13.327 0.925 -9.642 1063 2HD2 LEU 139 HD22 LEU 139 14.601 1.936 -8.957 1064 3HD2 LEU 139 HD23 LEU 139 12.925 2.510 -8.942 1065 H GLU 140 H GLU 140 11.140 1.478 -14.735 1066 HA GLU 140 HA GLU 140 8.419 2.053 -13.825 1067 1HB GLU 140 HB2 GLU 140 9.685 3.148 -15.712 1068 2HB GLU 140 HB3 GLU 140 9.489 1.656 -16.643 1069 1HG GLU 140 HG2 GLU 140 6.999 1.960 -16.473 1070 2HG GLU 140 HG3 GLU 140 7.270 3.458 -15.573 1071 H GLY 141 H GLY 141 10.207 -0.832 -14.467 1072 1HA GLY 141 HA2 GLY 141 7.707 -2.438 -14.708 1073 2HA GLY 141 HA3 GLY 141 8.975 -2.579 -15.931 1074 H TRP 142 H TRP 142 10.462 -2.024 -12.940 1075 HA TRP 142 HA TRP 142 11.558 -4.559 -12.527 1076 1HB TRP 142 HB2 TRP 142 12.530 -2.561 -11.604 1077 2HB TRP 142 HB3 TRP 142 11.056 -2.159 -10.741 1078 HD1 TRP 142 HD1 TRP 142 14.348 -3.729 -10.256 1079 HE1 TRP 142 HE1 TRP 142 14.589 -4.598 -7.854 1080 HE3 TRP 142 HE3 TRP 142 9.443 -3.472 -8.758 1081 HZ2 TRP 142 HZ2 TRP 142 12.900 -5.330 -5.706 1082 HZ3 TRP 142 HZ3 TRP 142 8.789 -4.299 -6.529 1083 HH2 TRP 142 HH2 TRP 142 10.500 -5.233 -4.975 1084 H GLU 143 H GLU 143 11.042 -6.220 -11.171 1085 HA GLU 143 HA GLU 143 8.757 -6.123 -9.365 1086 1HB GLU 143 HB2 GLU 143 7.715 -6.843 -11.502 1087 2HB GLU 143 HB3 GLU 143 8.853 -8.190 -11.613 1088 1HG GLU 143 HG2 GLU 143 7.958 -9.107 -9.472 1089 2HG GLU 143 HG3 GLU 143 6.862 -7.731 -9.342 1090 H GLY 144 H GLY 144 10.222 -6.398 -7.691 1091 1HA GLY 144 HA2 GLY 144 11.024 -7.773 -6.048 1092 2HA GLY 144 HA3 GLY 144 10.934 -9.146 -7.156 1093 H ASN 145 H ASN 145 12.572 -8.274 -9.194 1094 HA ASN 145 HA ASN 145 15.316 -8.019 -8.032 1095 1HB ASN 145 HB2 ASN 145 14.990 -10.332 -7.968 1096 2HB ASN 145 HB3 ASN 145 13.976 -10.352 -9.412 1097 1HD2 ASN 145 HD22 ASN 145 17.348 -10.356 -8.271 1098 2HD2 ASN 145 HD21 ASN 145 18.020 -10.637 -9.874 1099 H GLY 146 H GLY 146 13.124 -7.386 -10.677 1100 1HA GLY 146 HA2 GLY 146 13.378 -6.060 -12.528 1101 2HA GLY 146 HA3 GLY 146 14.898 -5.485 -11.822 1102 H GLY 147 H GLY 147 14.739 -8.920 -12.341 1103 1HA GLY 147 HA2 GLY 147 15.663 -10.317 -13.886 1104 2HA GLY 147 HA3 GLY 147 15.696 -8.997 -15.065 1105 H PHE 148 H PHE 148 17.306 -8.007 -12.151 1106 HA PHE 148 HA PHE 148 19.903 -8.153 -13.469 1107 1HB PHE 148 HB2 PHE 148 19.017 -7.185 -10.731 1108 2HB PHE 148 HB3 PHE 148 20.653 -7.038 -11.368 1109 HD1 PHE 148 HD1 PHE 148 20.787 -5.950 -13.819 1110 HD2 PHE 148 HD2 PHE 148 17.568 -5.347 -11.021 1111 HE1 PHE 148 HE1 PHE 148 20.151 -3.847 -14.996 1112 HE2 PHE 148 HE2 PHE 148 17.011 -3.193 -12.121 1113 HZ PHE 148 HZ PHE 148 18.279 -2.454 -14.135 1114 H ALA 149 H ALA 149 21.732 -9.070 -12.317 1115 HA ALA 149 HA ALA 149 21.094 -11.757 -11.196 1116 1HB ALA 149 HB1 ALA 149 23.560 -12.111 -11.347 1117 2HB ALA 149 HB2 ALA 149 22.814 -11.765 -12.923 1118 3HB ALA 149 HB3 ALA 149 23.727 -10.502 -12.083 1119 H GLN 150 H GLN 150 21.653 -12.320 -9.133 1120 HA GLN 150 HA GLN 150 22.136 -10.163 -7.214 1121 1HB GLN 150 HB2 GLN 150 20.662 -12.340 -7.040 1122 2HB GLN 150 HB3 GLN 150 22.174 -13.131 -6.574 1123 1HG GLN 150 HG2 GLN 150 21.012 -10.641 -5.231 1124 2HG GLN 150 HG3 GLN 150 20.595 -12.274 -4.747 1125 1HE2 GLN 150 HE22 GLN 150 23.049 -9.775 -4.551 1126 2HE2 GLN 150 HE21 GLN 150 24.171 -10.696 -3.557 1127 H LEU 151 H LEU 151 24.135 -9.623 -6.444 1128 HA LEU 151 HA LEU 151 26.493 -10.240 -7.773 1129 1HB LEU 151 HB2 LEU 151 26.149 -8.238 -6.396 1130 2HB LEU 151 HB3 LEU 151 26.004 -9.231 -4.945 1131 HG LEU 151 HG LEU 151 28.360 -9.897 -5.109 1132 1HD1 LEU 151 HD11 LEU 151 28.481 -8.089 -7.563 1133 2HD1 LEU 151 HD12 LEU 151 29.881 -8.826 -6.747 1134 3HD1 LEU 151 HD13 LEU 151 28.707 -9.836 -7.581 1135 1HD2 LEU 151 HD21 LEU 151 27.800 -7.879 -3.873 1136 2HD2 LEU 151 HD22 LEU 151 29.353 -7.661 -4.685 1137 3HD2 LEU 151 HD23 LEU 151 27.891 -6.904 -5.354 1138 H ALA 152 H ALA 152 28.135 -11.576 -7.407 1139 HA ALA 152 HA ALA 152 29.596 -13.081 -6.676 1140 1HB ALA 152 HB1 ALA 152 29.687 -13.674 -4.342 1141 2HB ALA 152 HB2 ALA 152 29.225 -11.956 -4.506 1142 3HB ALA 152 HB3 ALA 152 27.990 -13.190 -4.107 1143 H VAL 153 H VAL 153 26.351 -13.931 -5.656 1144 HA VAL 153 HA VAL 153 26.534 -16.740 -6.430 1145 HB VAL 153 HB VAL 153 24.362 -14.953 -5.259 1146 1HG1 VAL 153 HG11 VAL 153 23.157 -17.081 -4.676 1147 2HG1 VAL 153 HG12 VAL 153 23.285 -16.908 -6.421 1148 3HG1 VAL 153 HG13 VAL 153 24.379 -18.013 -5.569 1149 1HG2 VAL 153 HG21 VAL 153 26.164 -15.304 -3.659 1150 2HG2 VAL 153 HG22 VAL 153 24.759 -16.239 -3.165 1151 3HG2 VAL 153 HG23 VAL 153 26.129 -17.057 -3.948 1152 H GLU 154 H GLU 154 27.372 -15.487 -8.477 1153 HA GLU 154 HA GLU 154 25.807 -13.805 -10.037 1154 1HB GLU 154 HB2 GLU 154 28.110 -15.677 -10.731 1155 2HB GLU 154 HB3 GLU 154 27.452 -14.526 -11.884 1156 1HG GLU 154 HG2 GLU 154 28.659 -13.743 -9.188 1157 2HG GLU 154 HG3 GLU 154 29.525 -13.738 -10.720 1158 H GLU 155 H GLU 155 24.821 -14.114 -12.135 1159 HA GLU 155 HA GLU 155 23.558 -16.771 -12.552 1160 1HB GLU 155 HB2 GLU 155 22.126 -14.078 -12.432 1161 2HB GLU 155 HB3 GLU 155 21.382 -15.641 -12.785 1162 1HG GLU 155 HG2 GLU 155 21.996 -16.447 -10.513 1163 2HG GLU 155 HG3 GLU 155 22.697 -14.861 -10.159 1164 H GLU 156 H GLU 156 25.747 -15.524 -13.909 1165 HA GLU 156 HA GLU 156 25.013 -14.386 -16.446 1166 1HB GLU 156 HB2 GLU 156 27.273 -14.212 -15.461 1167 2HB GLU 156 HB3 GLU 156 27.489 -15.961 -15.611 1168 1HG GLU 156 HG2 GLU 156 27.301 -15.777 -18.077 1169 2HG GLU 156 HG3 GLU 156 27.008 -14.043 -17.935 Start of MODEL 3 1 1H MET 1 H1 MET 1 2.170 -0.066 0.661 2 2H MET 1 H2 MET 1 0.563 -0.360 0.778 3 3H MET 1 H3 MET 1 1.190 0.201 -0.628 4 HA MET 1 HA MET 1 0.014 1.918 0.537 5 1HB MET 1 HB2 MET 1 0.512 1.004 2.835 6 2HB MET 1 HB3 MET 1 2.141 1.672 2.699 7 1HG MET 1 HG2 MET 1 1.076 3.949 2.309 8 2HG MET 1 HG3 MET 1 -0.489 3.197 2.599 9 1HE MET 1 HE1 MET 1 2.808 4.063 5.734 10 2HE MET 1 HE2 MET 1 3.100 2.940 4.391 11 3HE MET 1 HE3 MET 1 2.773 4.655 4.060 12 H THR 2 H THR 2 3.665 1.799 0.928 13 HA THR 2 HA THR 2 3.916 3.945 -1.091 14 HB THR 2 HB THR 2 4.989 4.156 1.761 15 HG1 THR 2 HG1 THR 2 2.770 5.441 0.563 16 1HG2 THR 2 HG21 THR 2 5.426 6.537 1.161 17 2HG2 THR 2 HG22 THR 2 6.400 5.404 0.223 18 3HG2 THR 2 HG23 THR 2 4.978 6.173 -0.521 19 H ASP 3 H ASP 3 6.116 3.985 -1.959 20 HA ASP 3 HA ASP 3 7.952 1.841 -1.069 21 1HB ASP 3 HB2 ASP 3 6.288 0.981 -2.812 22 2HB ASP 3 HB3 ASP 3 6.990 2.132 -3.949 23 H VAL 4 H VAL 4 10.042 2.706 -1.158 24 HA VAL 4 HA VAL 4 10.310 5.371 -2.420 25 HB VAL 4 HB VAL 4 12.027 5.629 -0.546 26 1HG1 VAL 4 HG11 VAL 4 10.299 6.271 1.156 27 2HG1 VAL 4 HG12 VAL 4 10.032 6.938 -0.451 28 3HG1 VAL 4 HG13 VAL 4 9.059 5.550 0.105 29 1HG2 VAL 4 HG21 VAL 4 11.814 4.365 1.463 30 2HG2 VAL 4 HG22 VAL 4 10.439 3.441 0.809 31 3HG2 VAL 4 HG23 VAL 4 12.046 3.234 0.128 32 H LEU 5 H LEU 5 12.334 5.971 -3.206 33 HA LEU 5 HA LEU 5 14.213 3.748 -3.881 34 1HB LEU 5 HB2 LEU 5 12.928 4.364 -5.862 35 2HB LEU 5 HB3 LEU 5 13.190 6.080 -5.547 36 HG LEU 5 HG LEU 5 15.685 5.704 -5.920 37 1HD1 LEU 5 HD11 LEU 5 16.350 3.657 -7.126 38 2HD1 LEU 5 HD12 LEU 5 15.772 3.264 -5.506 39 3HD1 LEU 5 HD13 LEU 5 14.720 2.988 -6.913 40 1HD2 LEU 5 HD21 LEU 5 13.737 5.062 -8.157 41 2HD2 LEU 5 HD22 LEU 5 14.257 6.674 -7.630 42 3HD2 LEU 5 HD23 LEU 5 15.424 5.585 -8.385 43 H LEU 6 H LEU 6 15.866 4.176 -2.440 44 HA LEU 6 HA LEU 6 16.532 6.970 -1.744 45 1HB LEU 6 HB2 LEU 6 16.260 5.410 0.099 46 2HB LEU 6 HB3 LEU 6 17.430 4.301 -0.636 47 HG LEU 6 HG LEU 6 19.242 5.927 -0.295 48 1HD1 LEU 6 HD11 LEU 6 18.872 7.950 1.094 49 2HD1 LEU 6 HD12 LEU 6 18.042 8.053 -0.461 50 3HD1 LEU 6 HD13 LEU 6 17.121 7.665 1.013 51 1HD2 LEU 6 HD21 LEU 6 18.744 4.282 1.452 52 2HD2 LEU 6 HD22 LEU 6 19.326 5.794 2.158 53 3HD2 LEU 6 HD23 LEU 6 17.592 5.397 2.205 54 H CYS 7 H CYS 7 17.617 7.817 -3.421 55 HA CYS 7 HA CYS 7 19.864 6.446 -4.722 56 1HB CYS 7 HB2 CYS 7 18.789 9.307 -4.697 57 2HB CYS 7 HB3 CYS 7 20.132 8.763 -5.695 58 HG CYS 7 HG CYS 7 17.021 7.634 -5.574 59 H VAL 8 H VAL 8 22.034 6.661 -4.118 60 HA VAL 8 HA VAL 8 22.808 8.595 -2.007 61 HB VAL 8 HB VAL 8 23.566 5.638 -2.092 62 1HG1 VAL 8 HG11 VAL 8 24.531 6.023 0.131 63 2HG1 VAL 8 HG12 VAL 8 25.308 7.045 -1.069 64 3HG1 VAL 8 HG13 VAL 8 24.102 7.747 0.031 65 1HG2 VAL 8 HG21 VAL 8 21.542 7.012 -0.303 66 2HG2 VAL 8 HG22 VAL 8 21.285 5.644 -1.409 67 3HG2 VAL 8 HG23 VAL 8 22.256 5.417 0.042 68 H GLY 9 H GLY 9 24.939 9.401 -2.349 69 1HA GLY 9 HA2 GLY 9 27.145 8.433 -3.454 70 2HA GLY 9 HA3 GLY 9 26.223 8.747 -4.926 71 H ASN 10 H ASN 10 28.592 10.058 -4.649 72 HA ASN 10 HA ASN 10 27.855 12.880 -3.969 73 1HB ASN 10 HB2 ASN 10 29.855 12.037 -2.800 74 2HB ASN 10 HB3 ASN 10 30.580 11.578 -4.332 75 1HD2 ASN 10 HD22 ASN 10 30.715 13.967 -2.021 76 2HD2 ASN 10 HD21 ASN 10 31.204 15.304 -3.028 77 H SER 11 H SER 11 27.205 13.996 -5.682 78 HA SER 11 HA SER 11 27.004 13.049 -8.213 79 1HB SER 11 HB2 SER 11 27.103 16.002 -7.559 80 2HB SER 11 HB3 SER 11 26.018 15.153 -8.675 81 HG SER 11 HG SER 11 25.003 15.737 -6.683 82 H MET 12 H MET 12 29.986 14.364 -7.003 83 HA MET 12 HA MET 12 30.913 14.858 -9.791 84 1HB MET 12 HB2 MET 12 32.132 16.804 -9.087 85 2HB MET 12 HB3 MET 12 30.426 17.010 -8.697 86 1HG MET 12 HG2 MET 12 30.873 16.481 -6.335 87 2HG MET 12 HG3 MET 12 32.570 16.157 -6.706 88 1HE MET 12 HE1 MET 12 33.576 17.722 -4.936 89 2HE MET 12 HE2 MET 12 32.991 19.368 -4.617 90 3HE MET 12 HE3 MET 12 31.921 17.977 -4.335 91 H MET 13 H MET 13 31.192 12.611 -7.577 92 HA MET 13 HA MET 13 34.140 12.650 -7.414 93 1HB MET 13 HB2 MET 13 32.816 12.544 -5.338 94 2HB MET 13 HB3 MET 13 32.216 10.966 -5.828 95 1HG MET 13 HG2 MET 13 34.617 10.168 -5.857 96 2HG MET 13 HG3 MET 13 35.086 11.767 -5.267 97 1HE MET 13 HE1 MET 13 36.352 10.768 -3.324 98 2HE MET 13 HE2 MET 13 35.714 9.569 -2.171 99 3HE MET 13 HE3 MET 13 35.952 9.126 -3.879 100 H GLY 14 H GLY 14 33.090 12.159 -9.980 101 1HA GLY 14 HA2 GLY 14 33.591 10.739 -11.698 102 2HA GLY 14 HA3 GLY 14 34.276 9.585 -10.551 103 H ASP 15 H ASP 15 33.265 7.740 -11.035 104 HA ASP 15 HA ASP 15 30.632 7.230 -11.858 105 1HB ASP 15 HB2 ASP 15 31.868 5.341 -12.035 106 2HB ASP 15 HB3 ASP 15 32.869 5.720 -10.656 107 H ASP 16 H ASP 16 31.812 7.983 -8.612 108 HA ASP 16 HA ASP 16 30.002 6.575 -7.106 109 1HB ASP 16 HB2 ASP 16 32.081 7.682 -6.345 110 2HB ASP 16 HB3 ASP 16 31.226 9.230 -6.411 111 H GLY 17 H GLY 17 29.257 9.443 -8.922 112 1HA GLY 17 HA2 GLY 17 27.009 10.356 -7.351 113 2HA GLY 17 HA3 GLY 17 27.410 10.805 -9.014 114 H ALA 18 H ALA 18 26.886 7.357 -8.033 115 HA ALA 18 HA ALA 18 25.297 6.973 -10.365 116 1HB ALA 18 HB1 ALA 18 25.666 5.252 -7.883 117 2HB ALA 18 HB2 ALA 18 24.896 4.721 -9.391 118 3HB ALA 18 HB3 ALA 18 26.613 5.171 -9.387 119 H GLY 19 H GLY 19 24.391 7.133 -6.874 120 1HA GLY 19 HA2 GLY 19 21.578 6.985 -7.253 121 2HA GLY 19 HA3 GLY 19 22.421 7.702 -5.876 122 HA PRO 20 HA PRO 20 21.687 11.860 -7.098 123 1HB PRO 20 HB2 PRO 20 24.465 12.140 -8.306 124 2HB PRO 20 HB3 PRO 20 23.528 13.347 -7.363 125 1HG PRO 20 HG2 PRO 20 25.399 11.796 -6.147 126 2HG PRO 20 HG3 PRO 20 23.833 12.117 -5.342 127 1HD PRO 20 HD2 PRO 20 24.764 9.615 -6.685 128 2HD PRO 20 HD3 PRO 20 23.637 9.834 -5.325 129 H LEU 21 H LEU 21 23.398 10.219 -9.925 130 HA LEU 21 HA LEU 21 21.990 11.907 -11.785 131 1HB LEU 21 HB2 LEU 21 24.127 10.845 -12.328 132 2HB LEU 21 HB3 LEU 21 23.416 9.249 -12.130 133 HG LEU 21 HG LEU 21 21.877 9.701 -14.060 134 1HD1 LEU 21 HD11 LEU 21 21.670 12.128 -13.979 135 2HD1 LEU 21 HD12 LEU 21 23.421 12.330 -14.203 136 3HD1 LEU 21 HD13 LEU 21 22.413 11.701 -15.522 137 1HD2 LEU 21 HD21 LEU 21 24.019 8.583 -14.426 138 2HD2 LEU 21 HD22 LEU 21 23.583 9.581 -15.821 139 3HD2 LEU 21 HD23 LEU 21 24.816 10.151 -14.672 140 H LEU 22 H LEU 22 21.325 8.696 -10.313 141 HA LEU 22 HA LEU 22 19.060 8.081 -11.943 142 1HB LEU 22 HB2 LEU 22 20.188 6.405 -10.521 143 2HB LEU 22 HB3 LEU 22 19.729 7.287 -9.073 144 HG LEU 22 HG LEU 22 17.361 6.871 -9.485 145 1HD1 LEU 22 HD11 LEU 22 18.313 5.322 -11.948 146 2HD1 LEU 22 HD12 LEU 22 16.674 5.244 -11.262 147 3HD1 LEU 22 HD13 LEU 22 17.261 6.759 -11.937 148 1HD2 LEU 22 HD21 LEU 22 18.667 5.234 -8.189 149 2HD2 LEU 22 HD22 LEU 22 17.397 4.417 -9.117 150 3HD2 LEU 22 HD23 LEU 22 19.076 4.358 -9.682 151 H ALA 23 H ALA 23 19.350 9.747 -8.761 152 HA ALA 23 HA ALA 23 16.614 10.367 -8.416 153 1HB ALA 23 HB1 ALA 23 19.080 11.937 -7.509 154 2HB ALA 23 HB2 ALA 23 17.430 12.152 -6.893 155 3HB ALA 23 HB3 ALA 23 18.286 10.637 -6.600 156 H GLU 24 H GLU 24 19.167 12.154 -10.227 157 HA GLU 24 HA GLU 24 17.588 14.457 -10.774 158 1HB GLU 24 HB2 GLU 24 19.990 14.501 -11.067 159 2HB GLU 24 HB3 GLU 24 19.941 13.152 -12.188 160 1HG GLU 24 HG2 GLU 24 20.341 15.210 -13.386 161 2HG GLU 24 HG3 GLU 24 18.830 14.469 -13.885 162 H LYS 25 H LYS 25 18.132 11.460 -12.641 163 HA LYS 25 HA LYS 25 16.421 12.176 -14.821 164 1HB LYS 25 HB2 LYS 25 17.464 9.540 -13.732 165 2HB LYS 25 HB3 LYS 25 16.429 9.629 -15.178 166 1HG LYS 25 HG2 LYS 25 18.049 11.082 -16.303 167 2HG LYS 25 HG3 LYS 25 19.104 11.048 -14.882 168 1HD LYS 25 HD2 LYS 25 19.295 8.562 -15.116 169 2HD LYS 25 HD3 LYS 25 18.342 8.635 -16.606 170 1HE LYS 25 HE2 LYS 25 20.950 10.151 -16.138 171 2HE LYS 25 HE3 LYS 25 20.884 8.556 -16.890 172 1HZ LYS 25 HZ1 LYS 25 20.967 10.458 -18.465 173 2HZ LYS 25 HZ2 LYS 25 19.742 9.437 -18.753 174 3HZ LYS 25 HZ3 LYS 25 19.459 10.894 -18.024 175 H CYS 26 H CYS 26 15.726 10.255 -11.831 176 HA CYS 26 HA CYS 26 12.978 9.795 -12.499 177 1HB CYS 26 HB2 CYS 26 14.279 9.969 -9.745 178 2HB CYS 26 HB3 CYS 26 12.673 9.310 -10.124 179 HG CYS 26 HG CYS 26 15.656 8.287 -11.066 180 H ALA 27 H ALA 27 14.552 12.519 -10.693 181 HA ALA 27 HA ALA 27 12.126 13.795 -10.009 182 1HB ALA 27 HB1 ALA 27 13.521 15.813 -9.699 183 2HB ALA 27 HB2 ALA 27 14.276 14.381 -8.978 184 3HB ALA 27 HB3 ALA 27 14.871 15.016 -10.530 185 H ALA 28 H ALA 28 14.154 14.031 -12.975 186 HA ALA 28 HA ALA 28 12.679 16.160 -14.154 187 1HB ALA 28 HB1 ALA 28 13.889 15.524 -16.207 188 2HB ALA 28 HB2 ALA 28 14.986 15.564 -14.813 189 3HB ALA 28 HB3 ALA 28 14.409 14.006 -15.449 190 H ALA 29 H ALA 29 12.345 12.628 -14.249 191 HA ALA 29 HA ALA 29 9.690 12.763 -15.517 192 1HB ALA 29 HB1 ALA 29 12.170 11.626 -16.838 193 2HB ALA 29 HB2 ALA 29 10.513 11.143 -17.296 194 3HB ALA 29 HB3 ALA 29 11.041 12.829 -17.477 195 HA PRO 30 HA PRO 30 10.059 9.801 -12.039 196 1HB PRO 30 HB2 PRO 30 7.084 9.804 -12.582 197 2HB PRO 30 HB3 PRO 30 7.939 9.760 -11.004 198 1HG PRO 30 HG2 PRO 30 6.946 12.097 -11.922 199 2HG PRO 30 HG3 PRO 30 8.597 12.051 -11.217 200 1HD PRO 30 HD2 PRO 30 7.796 12.078 -14.131 201 2HD PRO 30 HD3 PRO 30 9.109 12.968 -13.302 202 H LYS 31 H LYS 31 9.149 7.588 -11.542 203 HA LYS 31 HA LYS 31 8.632 5.897 -13.909 204 1HB LYS 31 HB2 LYS 31 10.894 5.544 -11.858 205 2HB LYS 31 HB3 LYS 31 10.344 4.239 -12.898 206 1HG LYS 31 HG2 LYS 31 11.344 6.902 -14.018 207 2HG LYS 31 HG3 LYS 31 12.416 5.559 -13.675 208 1HD LYS 31 HD2 LYS 31 11.552 4.203 -15.341 209 2HD LYS 31 HD3 LYS 31 9.967 4.964 -15.328 210 1HE LYS 31 HE2 LYS 31 12.369 6.513 -16.274 211 2HE LYS 31 HE3 LYS 31 11.566 5.362 -17.349 212 1HZ LYS 31 HZ1 LYS 31 10.670 7.628 -17.548 213 2HZ LYS 31 HZ2 LYS 31 9.532 6.505 -17.139 214 3HZ LYS 31 HZ3 LYS 31 10.096 7.555 -16.006 215 H GLY 32 H GLY 32 7.735 3.860 -13.330 216 1HA GLY 32 HA2 GLY 32 6.062 2.670 -12.270 217 2HA GLY 32 HA3 GLY 32 7.266 2.614 -10.983 218 H ASN 33 H ASN 33 6.555 3.287 -9.047 219 HA ASN 33 HA ASN 33 4.956 5.749 -8.844 220 1HB ASN 33 HB2 ASN 33 3.343 3.805 -8.778 221 2HB ASN 33 HB3 ASN 33 4.193 3.195 -7.355 222 1HD2 ASN 33 HD22 ASN 33 2.781 6.367 -8.503 223 2HD2 ASN 33 HD21 ASN 33 1.995 6.722 -6.990 224 H TRP 34 H TRP 34 7.816 4.908 -8.420 225 HA TRP 34 HA TRP 34 8.257 4.477 -5.612 226 1HB TRP 34 HB2 TRP 34 10.324 5.522 -7.568 227 2HB TRP 34 HB3 TRP 34 10.562 4.542 -6.130 228 HD1 TRP 34 HD1 TRP 34 9.700 4.373 -9.789 229 HE1 TRP 34 HE1 TRP 34 9.619 1.956 -10.639 230 HE3 TRP 34 HE3 TRP 34 10.362 1.929 -5.333 231 HZ2 TRP 34 HZ2 TRP 34 9.866 -0.650 -9.564 232 HZ3 TRP 34 HZ3 TRP 34 10.501 -0.538 -5.292 233 HH2 TRP 34 HH2 TRP 34 10.242 -1.861 -7.374 234 H VAL 35 H VAL 35 8.388 5.969 -4.034 235 HA VAL 35 HA VAL 35 8.358 8.850 -4.614 236 HB VAL 35 HB VAL 35 8.531 7.269 -2.016 237 1HG1 VAL 35 HG11 VAL 35 9.556 9.494 -1.712 238 2HG1 VAL 35 HG12 VAL 35 8.150 10.267 -2.479 239 3HG1 VAL 35 HG13 VAL 35 7.979 9.444 -0.917 240 1HG2 VAL 35 HG21 VAL 35 6.191 8.031 -1.695 241 2HG2 VAL 35 HG22 VAL 35 6.206 8.739 -3.323 242 3HG2 VAL 35 HG23 VAL 35 6.359 6.982 -3.104 243 H VAL 36 H VAL 36 10.241 9.604 -5.468 244 HA VAL 36 HA VAL 36 12.793 8.362 -5.112 245 HB VAL 36 HB VAL 36 12.222 11.248 -5.916 246 1HG1 VAL 36 HG11 VAL 36 14.618 10.740 -5.538 247 2HG1 VAL 36 HG12 VAL 36 14.512 9.355 -6.645 248 3HG1 VAL 36 HG13 VAL 36 14.298 11.014 -7.251 249 1HG2 VAL 36 HG21 VAL 36 12.253 8.795 -7.729 250 2HG2 VAL 36 HG22 VAL 36 10.832 9.797 -7.359 251 3HG2 VAL 36 HG23 VAL 36 12.167 10.499 -8.253 252 H ILE 37 H ILE 37 14.353 8.721 -3.562 253 HA ILE 37 HA ILE 37 14.185 11.054 -1.759 254 HB ILE 37 HB ILE 37 14.897 8.209 -0.921 255 1HG1 ILE 37 HG12 ILE 37 12.437 8.501 -1.145 256 2HG1 ILE 37 HG13 ILE 37 13.010 8.055 0.446 257 1HG2 ILE 37 HG21 ILE 37 14.845 10.782 0.715 258 2HG2 ILE 37 HG22 ILE 37 15.028 9.153 1.394 259 3HG2 ILE 37 HG23 ILE 37 16.262 9.799 0.314 260 1HD1 ILE 37 HD11 ILE 37 12.588 10.279 1.327 261 2HD1 ILE 37 HD12 ILE 37 12.205 10.895 -0.303 262 3HD1 ILE 37 HD13 ILE 37 11.150 9.704 0.484 263 H ASP 38 H ASP 38 16.322 11.761 -1.286 264 HA ASP 38 HA ASP 38 18.552 10.490 -2.800 265 1HB ASP 38 HB2 ASP 38 17.829 12.159 -4.343 266 2HB ASP 38 HB3 ASP 38 17.732 13.387 -3.072 267 H GLY 39 H GLY 39 19.669 9.844 -1.088 268 1HA GLY 39 HA2 GLY 39 19.923 11.374 1.383 269 2HA GLY 39 HA3 GLY 39 20.705 9.845 0.944 270 H GLY 40 H GLY 40 21.409 11.626 -1.724 271 1HA GLY 40 HA2 GLY 40 23.420 12.391 -2.487 272 2HA GLY 40 HA3 GLY 40 23.483 13.394 -1.022 273 H SER 41 H SER 41 25.652 13.070 -0.472 274 HA SER 41 HA SER 41 26.698 10.351 -0.202 275 1HB SER 41 HB2 SER 41 28.803 11.715 0.294 276 2HB SER 41 HB3 SER 41 28.076 11.870 -1.316 277 HG SER 41 HG SER 41 28.674 13.906 -0.304 278 H ALA 42 H ALA 42 24.538 11.701 1.687 279 HA ALA 42 HA ALA 42 25.785 10.882 4.238 280 1HB ALA 42 HB1 ALA 42 24.447 13.584 3.767 281 2HB ALA 42 HB2 ALA 42 24.982 12.945 5.334 282 3HB ALA 42 HB3 ALA 42 26.179 13.314 4.078 283 HA PRO 43 HA PRO 43 21.372 9.738 3.050 284 1HB PRO 43 HB2 PRO 43 21.454 7.016 3.052 285 2HB PRO 43 HB3 PRO 43 22.096 7.990 1.696 286 1HG PRO 43 HG2 PRO 43 23.665 6.860 4.048 287 2HG PRO 43 HG3 PRO 43 24.009 6.653 2.306 288 1HD PRO 43 HD2 PRO 43 25.227 8.604 3.748 289 2HD PRO 43 HD3 PRO 43 24.679 8.917 2.072 290 H GLU 44 H GLU 44 23.343 8.907 5.851 291 HA GLU 44 HA GLU 44 21.356 7.524 7.336 292 1HB GLU 44 HB2 GLU 44 22.757 7.742 9.172 293 2HB GLU 44 HB3 GLU 44 23.814 7.574 7.780 294 1HG GLU 44 HG2 GLU 44 23.208 10.115 9.322 295 2HG GLU 44 HG3 GLU 44 24.680 9.160 9.415 296 H ASN 45 H ASN 45 21.947 10.942 6.792 297 HA ASN 45 HA ASN 45 20.240 11.986 8.797 298 1HB ASN 45 HB2 ASN 45 20.734 13.992 7.908 299 2HB ASN 45 HB3 ASN 45 21.904 13.117 6.930 300 1HD2 ASN 45 HD22 ASN 45 21.288 12.600 4.648 301 2HD2 ASN 45 HD21 ASN 45 19.830 13.282 3.930 302 H ASP 46 H ASP 46 19.515 10.454 5.722 303 HA ASP 46 HA ASP 46 16.843 11.688 5.549 304 1HB ASP 46 HB2 ASP 46 18.703 10.370 3.648 305 2HB ASP 46 HB3 ASP 46 17.015 9.944 3.416 306 H ILE 47 H ILE 47 18.173 8.905 6.981 307 HA ILE 47 HA ILE 47 16.082 7.009 6.749 308 HB ILE 47 HB ILE 47 17.842 7.733 9.136 309 1HG1 ILE 47 HG12 ILE 47 18.141 5.519 7.057 310 2HG1 ILE 47 HG13 ILE 47 19.052 7.023 7.036 311 1HG2 ILE 47 HG21 ILE 47 17.315 5.509 10.047 312 2HG2 ILE 47 HG22 ILE 47 15.845 6.443 9.854 313 3HG2 ILE 47 HG23 ILE 47 16.241 5.181 8.669 314 1HD1 ILE 47 HD11 ILE 47 19.260 4.836 9.132 315 2HD1 ILE 47 HD12 ILE 47 20.489 5.384 7.984 316 3HD1 ILE 47 HD13 ILE 47 19.989 6.457 9.301 317 H VAL 48 H VAL 48 16.380 9.947 8.792 318 HA VAL 48 HA VAL 48 14.035 9.610 10.320 319 HB VAL 48 HB VAL 48 15.345 12.189 9.348 320 1HG1 VAL 48 HG11 VAL 48 13.129 12.620 10.333 321 2HG1 VAL 48 HG12 VAL 48 13.560 11.667 11.770 322 3HG1 VAL 48 HG13 VAL 48 14.403 13.192 11.413 323 1HG2 VAL 48 HG21 VAL 48 15.904 10.513 11.840 324 2HG2 VAL 48 HG22 VAL 48 17.024 10.804 10.490 325 3HG2 VAL 48 HG23 VAL 48 16.554 12.138 11.536 326 H ALA 49 H ALA 49 14.484 10.907 7.002 327 HA ALA 49 HA ALA 49 11.815 11.962 6.817 328 1HB ALA 49 HB1 ALA 49 12.315 12.226 4.427 329 2HB ALA 49 HB2 ALA 49 13.669 12.825 5.404 330 3HB ALA 49 HB3 ALA 49 13.776 11.244 4.589 331 H ILE 50 H ILE 50 13.452 8.974 5.735 332 HA ILE 50 HA ILE 50 11.171 7.855 4.441 333 HB ILE 50 HB ILE 50 13.541 6.400 5.697 334 1HG1 ILE 50 HG12 ILE 50 13.199 7.209 2.766 335 2HG1 ILE 50 HG13 ILE 50 14.098 8.198 3.896 336 1HG2 ILE 50 HG21 ILE 50 11.663 4.889 5.180 337 2HG2 ILE 50 HG22 ILE 50 11.501 5.618 3.567 338 3HG2 ILE 50 HG23 ILE 50 12.919 4.637 3.969 339 1HD1 ILE 50 HD11 ILE 50 15.669 6.868 2.702 340 2HD1 ILE 50 HD12 ILE 50 15.633 6.278 4.370 341 3HD1 ILE 50 HD13 ILE 50 14.820 5.365 3.075 342 H ARG 51 H ARG 51 12.267 7.743 7.852 343 HA ARG 51 HA ARG 51 10.289 5.891 8.759 344 1HB ARG 51 HB2 ARG 51 11.917 8.047 10.156 345 2HB ARG 51 HB3 ARG 51 10.742 7.054 11.019 346 1HG ARG 51 HG2 ARG 51 11.914 5.001 10.434 347 2HG ARG 51 HG3 ARG 51 13.084 5.899 9.450 348 1HD ARG 51 HD2 ARG 51 13.833 7.149 11.433 349 2HD ARG 51 HD3 ARG 51 12.638 6.302 12.437 350 HE ARG 51 HE ARG 51 14.174 4.302 11.242 351 1HH1 ARG 51 HH21 ARG 51 14.739 7.000 13.484 352 2HH1 ARG 51 HH22 ARG 51 16.062 6.244 14.286 353 1HH2 ARG 51 HH11 ARG 51 15.938 3.284 12.311 354 2HH2 ARG 51 HH12 ARG 51 16.742 4.084 13.621 355 H GLU 52 H GLU 52 9.875 9.268 7.781 356 HA GLU 52 HA GLU 52 7.378 9.566 9.259 357 1HB GLU 52 HB2 GLU 52 8.247 10.981 6.696 358 2HB GLU 52 HB3 GLU 52 6.898 11.410 7.744 359 1HG GLU 52 HG2 GLU 52 8.581 11.770 9.615 360 2HG GLU 52 HG3 GLU 52 9.852 11.568 8.404 361 H LEU 53 H LEU 53 8.391 8.569 5.972 362 HA LEU 53 HA LEU 53 5.766 8.246 4.938 363 1HB LEU 53 HB2 LEU 53 8.381 7.034 3.956 364 2HB LEU 53 HB3 LEU 53 6.900 7.216 3.024 365 HG LEU 53 HG LEU 53 8.673 9.466 4.068 366 1HD1 LEU 53 HD11 LEU 53 9.637 8.304 2.179 367 2HD1 LEU 53 HD12 LEU 53 8.117 8.437 1.263 368 3HD1 LEU 53 HD13 LEU 53 9.060 9.893 1.662 369 1HD2 LEU 53 HD21 LEU 53 6.387 10.281 4.131 370 2HD2 LEU 53 HD22 LEU 53 7.216 10.992 2.751 371 3HD2 LEU 53 HD23 LEU 53 6.074 9.653 2.491 372 H ARG 54 H ARG 54 7.765 6.120 6.809 373 HA ARG 54 HA ARG 54 7.679 3.920 7.393 374 1HB ARG 54 HB2 ARG 54 4.710 4.574 7.486 375 2HB ARG 54 HB3 ARG 54 5.468 3.177 8.263 376 1HG ARG 54 HG2 ARG 54 6.776 4.598 9.733 377 2HG ARG 54 HG3 ARG 54 6.233 6.058 8.888 378 1HD ARG 54 HD2 ARG 54 3.916 5.669 9.572 379 2HD ARG 54 HD3 ARG 54 4.389 4.163 10.367 380 HE ARG 54 HE ARG 54 5.181 5.312 12.156 381 1HH1 ARG 54 HH21 ARG 54 4.943 7.724 9.514 382 2HH1 ARG 54 HH22 ARG 54 4.899 9.063 10.597 383 1HH2 ARG 54 HH11 ARG 54 5.304 7.126 13.534 384 2HH2 ARG 54 HH12 ARG 54 5.237 8.726 12.902 385 HA PRO 55 HA PRO 55 6.392 2.991 2.957 386 1HB PRO 55 HB2 PRO 55 9.125 1.777 2.753 387 2HB PRO 55 HB3 PRO 55 8.252 2.814 1.582 388 1HG PRO 55 HG2 PRO 55 10.274 3.752 3.152 389 2HG PRO 55 HG3 PRO 55 8.846 4.770 2.759 390 1HD PRO 55 HD2 PRO 55 9.466 3.263 5.295 391 2HD PRO 55 HD3 PRO 55 8.762 4.865 5.054 392 H THR 56 H THR 56 5.834 1.074 1.914 393 HA THR 56 HA THR 56 5.710 -1.393 3.413 394 HB THR 56 HB THR 56 5.176 -0.922 0.454 395 HG1 THR 56 HG1 THR 56 3.578 -0.239 2.689 396 1HG2 THR 56 HG21 THR 56 3.401 -2.593 0.771 397 2HG2 THR 56 HG22 THR 56 4.975 -3.258 1.239 398 3HG2 THR 56 HG23 THR 56 3.825 -2.742 2.492 399 H ARG 57 H ARG 57 7.710 0.011 0.793 400 HA ARG 57 HA ARG 57 9.717 -2.110 1.221 401 1HB ARG 57 HB2 ARG 57 8.680 -1.390 -1.535 402 2HB ARG 57 HB3 ARG 57 10.055 -2.439 -1.197 403 1HG ARG 57 HG2 ARG 57 8.432 -3.991 0.004 404 2HG ARG 57 HG3 ARG 57 7.120 -3.009 -0.667 405 1HD ARG 57 HD2 ARG 57 9.249 -4.531 -2.240 406 2HD ARG 57 HD3 ARG 57 7.535 -4.956 -2.088 407 HE ARG 57 HE ARG 57 8.027 -2.284 -3.204 408 1HH1 ARG 57 HH21 ARG 57 7.662 -5.723 -4.104 409 2HH1 ARG 57 HH22 ARG 57 7.313 -5.349 -5.770 410 1HH2 ARG 57 HH11 ARG 57 7.621 -1.835 -5.239 411 2HH2 ARG 57 HH12 ARG 57 7.274 -3.067 -6.451 412 H LEU 58 H LEU 58 11.787 -1.559 0.193 413 HA LEU 58 HA LEU 58 12.210 1.243 -0.648 414 1HB LEU 58 HB2 LEU 58 12.568 1.441 1.715 415 2HB LEU 58 HB3 LEU 58 13.376 -0.122 1.796 416 HG LEU 58 HG LEU 58 15.343 0.765 0.677 417 1HD1 LEU 58 HD11 LEU 58 14.240 2.692 -0.604 418 2HD1 LEU 58 HD12 LEU 58 14.170 3.564 0.941 419 3HD1 LEU 58 HD13 LEU 58 15.723 3.078 0.257 420 1HD2 LEU 58 HD21 LEU 58 15.142 0.825 3.161 421 2HD2 LEU 58 HD22 LEU 58 16.149 2.142 2.543 422 3HD2 LEU 58 HD23 LEU 58 14.480 2.463 3.057 423 H LEU 59 H LEU 59 13.858 1.428 -2.068 424 HA LEU 59 HA LEU 59 15.671 -0.866 -2.592 425 1HB LEU 59 HB2 LEU 59 14.016 -0.891 -4.379 426 2HB LEU 59 HB3 LEU 59 14.128 0.862 -4.563 427 HG LEU 59 HG LEU 59 16.443 0.666 -5.403 428 1HD1 LEU 59 HD11 LEU 59 17.361 -1.548 -6.034 429 2HD1 LEU 59 HD12 LEU 59 17.194 -1.412 -4.287 430 3HD1 LEU 59 HD13 LEU 59 16.004 -2.350 -5.215 431 1HD2 LEU 59 HD21 LEU 59 15.864 -0.297 -7.577 432 2HD2 LEU 59 HD22 LEU 59 14.464 -1.127 -6.864 433 3HD2 LEU 59 HD23 LEU 59 14.505 0.639 -6.939 434 H ILE 60 H ILE 60 17.777 -0.144 -2.590 435 HA ILE 60 HA ILE 60 18.249 2.789 -2.448 436 HB ILE 60 HB ILE 60 19.808 0.537 -1.165 437 1HG1 ILE 60 HG12 ILE 60 17.966 2.356 0.418 438 2HG1 ILE 60 HG13 ILE 60 17.414 0.808 -0.205 439 1HG2 ILE 60 HG21 ILE 60 19.852 3.563 -0.720 440 2HG2 ILE 60 HG22 ILE 60 20.799 2.404 0.222 441 3HG2 ILE 60 HG23 ILE 60 21.122 2.603 -1.496 442 1HD1 ILE 60 HD11 ILE 60 19.759 1.107 1.683 443 2HD1 ILE 60 HD12 ILE 60 18.117 0.581 2.089 444 3HD1 ILE 60 HD13 ILE 60 19.111 -0.403 0.998 445 H VAL 61 H VAL 61 20.080 3.576 -3.659 446 HA VAL 61 HA VAL 61 21.476 1.593 -5.378 447 HB VAL 61 HB VAL 61 20.101 4.095 -6.429 448 1HG1 VAL 61 HG11 VAL 61 22.084 3.595 -7.729 449 2HG1 VAL 61 HG12 VAL 61 21.675 1.869 -7.789 450 3HG1 VAL 61 HG13 VAL 61 20.693 3.059 -8.669 451 1HG2 VAL 61 HG21 VAL 61 18.344 2.499 -5.950 452 2HG2 VAL 61 HG22 VAL 61 18.618 2.513 -7.692 453 3HG2 VAL 61 HG23 VAL 61 19.265 1.184 -6.710 454 H ASP 62 H ASP 62 23.554 2.010 -5.657 455 HA ASP 62 HA ASP 62 24.725 4.613 -5.810 456 1HB ASP 62 HB2 ASP 62 24.672 4.261 -3.322 457 2HB ASP 62 HB3 ASP 62 25.673 2.824 -3.535 458 H ALA 63 H ALA 63 27.272 4.072 -6.114 459 HA ALA 63 HA ALA 63 27.593 1.872 -8.013 460 1HB ALA 63 HB1 ALA 63 29.581 3.752 -6.672 461 2HB ALA 63 HB2 ALA 63 29.889 2.695 -8.069 462 3HB ALA 63 HB3 ALA 63 28.752 4.061 -8.216 463 H THR 64 H THR 64 29.336 0.188 -7.639 464 HA THR 64 HA THR 64 30.235 -0.295 -4.910 465 HB THR 64 HB THR 64 28.578 -2.477 -6.256 466 HG1 THR 64 HG1 THR 64 27.732 -0.363 -4.685 467 1HG2 THR 64 HG21 THR 64 30.187 -3.224 -4.562 468 2HG2 THR 64 HG22 THR 64 29.542 -2.049 -3.393 469 3HG2 THR 64 HG23 THR 64 28.540 -3.402 -3.954 470 H ASP 65 H ASP 65 32.318 -1.209 -5.155 471 HA ASP 65 HA ASP 65 33.128 -2.091 -7.841 472 1HB ASP 65 HB2 ASP 65 34.814 -0.954 -6.497 473 2HB ASP 65 HB3 ASP 65 34.676 -2.207 -5.247 474 H MET 66 H MET 66 32.574 -3.989 -8.563 475 HA MET 66 HA MET 66 32.049 -6.243 -6.694 476 1HB MET 66 HB2 MET 66 30.852 -5.473 -9.405 477 2HB MET 66 HB3 MET 66 30.520 -6.989 -8.559 478 1HG MET 66 HG2 MET 66 29.688 -5.745 -6.606 479 2HG MET 66 HG3 MET 66 29.998 -4.219 -7.401 480 1HE MET 66 HE1 MET 66 27.321 -3.846 -10.071 481 2HE MET 66 HE2 MET 66 28.676 -3.135 -9.153 482 3HE MET 66 HE3 MET 66 28.982 -4.432 -10.324 483 H GLY 67 H GLY 67 34.457 -5.101 -8.690 484 1HA GLY 67 HA2 GLY 67 36.181 -6.048 -9.824 485 2HA GLY 67 HA3 GLY 67 35.749 -7.622 -9.131 486 H LEU 68 H LEU 68 33.219 -6.003 -10.865 487 HA LEU 68 HA LEU 68 33.233 -8.052 -12.992 488 1HB LEU 68 HB2 LEU 68 31.233 -5.978 -11.986 489 2HB LEU 68 HB3 LEU 68 30.948 -6.910 -13.447 490 HG LEU 68 HG LEU 68 31.375 -8.172 -10.731 491 1HD1 LEU 68 HD11 LEU 68 28.949 -8.558 -10.736 492 2HD1 LEU 68 HD12 LEU 68 29.280 -6.824 -10.831 493 3HD1 LEU 68 HD13 LEU 68 28.794 -7.706 -12.289 494 1HD2 LEU 68 HD21 LEU 68 30.528 -9.276 -13.454 495 2HD2 LEU 68 HD22 LEU 68 31.939 -9.755 -12.485 496 3HD2 LEU 68 HD23 LEU 68 30.310 -10.154 -11.938 497 H ASN 69 H ASN 69 32.121 -6.859 -15.053 498 HA ASN 69 HA ASN 69 34.197 -5.159 -16.225 499 1HB ASN 69 HB2 ASN 69 33.004 -6.920 -17.532 500 2HB ASN 69 HB3 ASN 69 31.481 -6.059 -17.292 501 1HD2 ASN 69 HD22 ASN 69 34.814 -5.625 -18.587 502 2HD2 ASN 69 HD21 ASN 69 34.337 -4.546 -19.896 503 HA PRO 70 HA PRO 70 32.464 -1.225 -14.877 504 1HB PRO 70 HB2 PRO 70 33.023 -0.512 -17.769 505 2HB PRO 70 HB3 PRO 70 33.203 0.507 -16.308 506 1HG PRO 70 HG2 PRO 70 35.366 -0.780 -17.296 507 2HG PRO 70 HG3 PRO 70 35.053 -0.852 -15.528 508 1HD PRO 70 HD2 PRO 70 34.468 -2.930 -17.635 509 2HD PRO 70 HD3 PRO 70 35.110 -3.151 -15.980 510 H GLY 71 H GLY 71 30.425 -0.455 -14.666 511 1HA GLY 71 HA2 GLY 71 28.290 0.148 -15.208 512 2HA GLY 71 HA3 GLY 71 28.582 -0.281 -16.898 513 H GLU 72 H GLU 72 29.392 -3.012 -14.971 514 HA GLU 72 HA GLU 72 26.918 -4.406 -15.561 515 1HB GLU 72 HB2 GLU 72 29.379 -5.021 -13.883 516 2HB GLU 72 HB3 GLU 72 27.947 -6.028 -13.768 517 1HG GLU 72 HG2 GLU 72 29.380 -5.460 -16.391 518 2HG GLU 72 HG3 GLU 72 29.652 -6.888 -15.393 519 H ILE 73 H ILE 73 25.421 -5.119 -14.011 520 HA ILE 73 HA ILE 73 24.973 -3.277 -11.709 521 HB ILE 73 HB ILE 73 23.018 -4.354 -13.803 522 1HG1 ILE 73 HG12 ILE 73 23.806 -1.450 -13.313 523 2HG1 ILE 73 HG13 ILE 73 24.509 -2.451 -14.579 524 1HG2 ILE 73 HG21 ILE 73 22.571 -2.612 -11.355 525 2HG2 ILE 73 HG22 ILE 73 21.349 -2.874 -12.620 526 3HG2 ILE 73 HG23 ILE 73 21.894 -4.226 -11.653 527 1HD1 ILE 73 HD11 ILE 73 22.275 -2.787 -15.595 528 2HD1 ILE 73 HD12 ILE 73 21.588 -1.643 -14.416 529 3HD1 ILE 73 HD13 ILE 73 22.809 -1.101 -15.569 530 H ARG 74 H ARG 74 24.202 -4.345 -9.821 531 HA ARG 74 HA ARG 74 23.151 -7.089 -10.085 532 1HB ARG 74 HB2 ARG 74 25.515 -6.384 -8.294 533 2HB ARG 74 HB3 ARG 74 24.577 -7.862 -8.170 534 1HG ARG 74 HG2 ARG 74 26.242 -7.103 -10.590 535 2HG ARG 74 HG3 ARG 74 26.733 -8.198 -9.295 536 1HD ARG 74 HD2 ARG 74 24.805 -9.675 -9.786 537 2HD ARG 74 HD3 ARG 74 24.337 -8.640 -11.137 538 HE ARG 74 HE ARG 74 26.618 -10.482 -10.915 539 1HH1 ARG 74 HH21 ARG 74 25.249 -7.801 -12.859 540 2HH1 ARG 74 HH22 ARG 74 26.255 -8.168 -14.249 541 1HH2 ARG 74 HH11 ARG 74 27.785 -10.982 -12.728 542 2HH2 ARG 74 HH12 ARG 74 27.661 -10.036 -14.207 543 H ILE 75 H ILE 75 21.884 -7.716 -8.334 544 HA ILE 75 HA ILE 75 20.987 -5.648 -6.431 545 HB ILE 75 HB ILE 75 20.307 -8.607 -6.791 546 1HG1 ILE 75 HG12 ILE 75 19.591 -7.403 -8.706 547 2HG1 ILE 75 HG13 ILE 75 18.181 -7.784 -7.752 548 1HG2 ILE 75 HG21 ILE 75 18.305 -8.173 -5.396 549 2HG2 ILE 75 HG22 ILE 75 19.808 -8.029 -4.494 550 3HG2 ILE 75 HG23 ILE 75 18.945 -6.562 -4.995 551 1HD1 ILE 75 HD11 ILE 75 19.541 -5.064 -7.920 552 2HD1 ILE 75 HD12 ILE 75 17.985 -5.516 -8.612 553 3HD1 ILE 75 HD13 ILE 75 18.170 -5.439 -6.849 554 H ILE 76 H ILE 76 21.409 -5.734 -4.188 555 HA ILE 76 HA ILE 76 23.332 -7.750 -3.224 556 HB ILE 76 HB ILE 76 23.832 -4.914 -2.379 557 1HG1 ILE 76 HG12 ILE 76 24.973 -6.096 -4.955 558 2HG1 ILE 76 HG13 ILE 76 23.896 -4.698 -4.840 559 1HG2 ILE 76 HG21 ILE 76 24.962 -6.947 -1.298 560 2HG2 ILE 76 HG22 ILE 76 25.695 -7.298 -2.853 561 3HG2 ILE 76 HG23 ILE 76 26.104 -5.813 -1.970 562 1HD1 ILE 76 HD11 ILE 76 26.737 -4.792 -3.777 563 2HD1 ILE 76 HD12 ILE 76 26.166 -3.982 -5.226 564 3HD1 ILE 76 HD13 ILE 76 25.598 -3.429 -3.636 565 H ASP 77 H ASP 77 23.432 -7.587 -0.750 566 HA ASP 77 HA ASP 77 20.762 -7.090 0.447 567 1HB ASP 77 HB2 ASP 77 20.803 -9.390 -0.423 568 2HB ASP 77 HB3 ASP 77 22.388 -9.676 0.289 569 HA PRO 78 HA PRO 78 23.337 -5.368 3.582 570 1HB PRO 78 HB2 PRO 78 22.129 -6.222 5.975 571 2HB PRO 78 HB3 PRO 78 21.646 -4.823 4.975 572 1HG PRO 78 HG2 PRO 78 20.551 -7.649 4.898 573 2HG PRO 78 HG3 PRO 78 19.630 -6.116 4.929 574 1HD PRO 78 HD2 PRO 78 19.990 -7.348 2.597 575 2HD PRO 78 HD3 PRO 78 20.304 -5.601 2.660 576 H ASP 79 H ASP 79 22.862 -8.883 3.779 577 HA ASP 79 HA ASP 79 24.945 -9.384 5.712 578 1HB ASP 79 HB2 ASP 79 23.154 -10.998 5.171 579 2HB ASP 79 HB3 ASP 79 23.790 -11.157 3.528 580 H ASP 80 H ASP 80 25.010 -8.540 2.336 581 HA ASP 80 HA ASP 80 27.837 -9.470 2.032 582 1HB ASP 80 HB2 ASP 80 26.187 -10.653 0.627 583 2HB ASP 80 HB3 ASP 80 25.662 -9.114 -0.055 584 H ILE 81 H ILE 81 25.603 -6.759 1.591 585 HA ILE 81 HA ILE 81 27.248 -4.845 0.345 586 HB ILE 81 HB ILE 81 25.175 -4.648 2.554 587 1HG1 ILE 81 HG12 ILE 81 25.058 -3.758 -0.368 588 2HG1 ILE 81 HG13 ILE 81 24.540 -5.338 0.198 589 1HG2 ILE 81 HG21 ILE 81 26.399 -2.257 1.123 590 2HG2 ILE 81 HG22 ILE 81 25.034 -2.218 2.256 591 3HG2 ILE 81 HG23 ILE 81 26.642 -2.655 2.827 592 1HD1 ILE 81 HD11 ILE 81 22.568 -4.117 0.067 593 2HD1 ILE 81 HD12 ILE 81 22.936 -4.155 1.786 594 3HD1 ILE 81 HD13 ILE 81 23.271 -2.682 0.849 595 H ALA 82 H ALA 82 27.224 -5.957 3.709 596 HA ALA 82 HA ALA 82 28.873 -4.046 4.858 597 1HB ALA 82 HB1 ALA 82 28.725 -7.037 5.445 598 2HB ALA 82 HB2 ALA 82 29.314 -5.797 6.575 599 3HB ALA 82 HB3 ALA 82 27.603 -5.808 6.089 600 H GLU 83 H GLU 83 29.844 -6.674 2.724 601 HA GLU 83 HA GLU 83 32.724 -6.076 3.263 602 1HB GLU 83 HB2 GLU 83 31.390 -8.389 1.802 603 2HB GLU 83 HB3 GLU 83 33.134 -8.084 1.834 604 1HG GLU 83 HG2 GLU 83 33.100 -8.228 4.328 605 2HG GLU 83 HG3 GLU 83 31.383 -8.628 4.272 606 H MET 84 H MET 84 30.216 -6.221 0.724 607 HA MET 84 HA MET 84 32.141 -5.550 -1.301 608 1HB MET 84 HB2 MET 84 29.101 -5.566 -1.466 609 2HB MET 84 HB3 MET 84 30.203 -5.376 -2.836 610 1HG MET 84 HG2 MET 84 29.986 -7.766 -0.977 611 2HG MET 84 HG3 MET 84 29.534 -7.708 -2.663 612 1HE MET 84 HE1 MET 84 31.312 -7.840 -4.712 613 2HE MET 84 HE2 MET 84 31.999 -6.313 -4.104 614 3HE MET 84 HE3 MET 84 33.060 -7.693 -4.464 615 H PHE 85 H PHE 85 30.195 -3.447 0.746 616 HA PHE 85 HA PHE 85 30.901 -1.093 -0.848 617 1HB PHE 85 HB2 PHE 85 29.306 -1.566 1.659 618 2HB PHE 85 HB3 PHE 85 30.042 -0.003 1.391 619 HD1 PHE 85 HD1 PHE 85 28.118 -2.545 -0.641 620 HD2 PHE 85 HD2 PHE 85 28.816 1.625 0.254 621 HE1 PHE 85 HE1 PHE 85 26.640 -1.867 -2.514 622 HE2 PHE 85 HE2 PHE 85 27.341 2.272 -1.618 623 HZ PHE 85 HZ PHE 85 26.340 0.535 -3.058 624 H MET 86 H MET 86 32.772 -3.049 1.087 625 HA MET 86 HA MET 86 34.692 -0.789 1.265 626 1HB MET 86 HB2 MET 86 35.739 -1.733 3.171 627 2HB MET 86 HB3 MET 86 34.016 -1.509 3.497 628 1HG MET 86 HG2 MET 86 33.589 -3.868 3.294 629 2HG MET 86 HG3 MET 86 35.230 -4.181 2.704 630 1HE MET 86 HE1 MET 86 35.274 -5.973 6.183 631 2HE MET 86 HE2 MET 86 33.815 -5.810 5.189 632 3HE MET 86 HE3 MET 86 35.383 -6.154 4.419 633 H MET 87 H MET 87 33.952 -3.583 -0.450 634 HA MET 87 HA MET 87 36.562 -4.519 -1.133 635 1HB MET 87 HB2 MET 87 34.407 -5.645 -1.700 636 2HB MET 87 HB3 MET 87 34.020 -4.326 -2.813 637 1HG MET 87 HG2 MET 87 34.827 -6.216 -4.053 638 2HG MET 87 HG3 MET 87 35.982 -4.901 -4.193 639 1HE MET 87 HE1 MET 87 36.552 -7.906 -5.058 640 2HE MET 87 HE2 MET 87 37.733 -6.585 -5.215 641 3HE MET 87 HE3 MET 87 38.208 -8.116 -4.447 642 H THR 88 H THR 88 34.700 -1.670 -1.962 643 HA THR 88 HA THR 88 36.053 -0.486 -4.122 644 HB THR 88 HB THR 88 35.118 1.590 -2.833 645 HG1 THR 88 HG1 THR 88 33.733 0.962 -1.084 646 1HG2 THR 88 HG21 THR 88 33.787 0.432 -4.585 647 2HG2 THR 88 HG22 THR 88 33.179 -0.718 -3.363 648 3HG2 THR 88 HG23 THR 88 32.769 1.008 -3.258 649 H THR 89 H THR 89 36.912 -0.901 -0.807 650 HA THR 89 HA THR 89 39.116 -0.697 0.093 651 HB THR 89 HB THR 89 39.080 2.132 -1.054 652 HG1 THR 89 HG1 THR 89 39.652 0.677 -2.575 653 1HG2 THR 89 HG21 THR 89 41.371 2.281 -0.099 654 2HG2 THR 89 HG22 THR 89 40.146 2.084 1.160 655 3HG2 THR 89 HG23 THR 89 41.145 0.697 0.679 656 H HIS 90 H HIS 90 36.703 1.947 -0.271 657 HA HIS 90 HA HIS 90 35.249 1.215 2.019 658 1HB HIS 90 HB2 HIS 90 37.145 2.417 3.206 659 2HB HIS 90 HB3 HIS 90 36.779 3.855 2.258 660 HD1 HIS 90 HD1 HIS 90 34.983 5.436 3.379 661 HD2 HIS 90 HD2 HIS 90 34.976 1.470 4.802 662 HE1 HIS 90 HE1 HIS 90 33.297 5.359 5.279 663 H ASN 91 H ASN 91 33.272 2.442 2.032 664 HA ASN 91 HA ASN 91 32.950 4.747 0.230 665 1HB ASN 91 HB2 ASN 91 32.172 2.863 -1.174 666 2HB ASN 91 HB3 ASN 91 31.087 2.311 0.101 667 1HD2 ASN 91 HD22 ASN 91 29.805 2.708 -2.179 668 2HD2 ASN 91 HD21 ASN 91 28.878 4.192 -2.154 669 H MET 92 H MET 92 30.681 2.646 1.915 670 HA MET 92 HA MET 92 30.808 3.800 4.526 671 1HB MET 92 HB2 MET 92 28.421 4.371 2.686 672 2HB MET 92 HB3 MET 92 28.214 4.161 4.424 673 1HG MET 92 HG2 MET 92 29.806 6.043 4.814 674 2HG MET 92 HG3 MET 92 29.822 6.335 3.066 675 1HE MET 92 HE1 MET 92 27.702 9.297 4.635 676 2HE MET 92 HE2 MET 92 29.060 8.446 5.402 677 3HE MET 92 HE3 MET 92 29.146 8.888 3.680 678 HA PRO 93 HA PRO 93 29.446 -0.565 4.319 679 1HB PRO 93 HB2 PRO 93 29.360 -1.237 6.970 680 2HB PRO 93 HB3 PRO 93 30.884 -0.932 6.095 681 1HG PRO 93 HG2 PRO 93 29.327 1.029 7.812 682 2HG PRO 93 HG3 PRO 93 31.070 0.624 7.902 683 1HD PRO 93 HD2 PRO 93 30.179 2.800 6.524 684 2HD PRO 93 HD3 PRO 93 31.550 1.810 5.925 685 H LEU 94 H LEU 94 27.535 0.828 3.474 686 HA LEU 94 HA LEU 94 25.437 1.848 4.813 687 1HB LEU 94 HB2 LEU 94 25.689 0.584 2.070 688 2HB LEU 94 HB3 LEU 94 24.150 1.284 2.588 689 HG LEU 94 HG LEU 94 26.795 2.731 2.266 690 1HD1 LEU 94 HD11 LEU 94 25.719 3.870 0.436 691 2HD1 LEU 94 HD12 LEU 94 25.503 2.132 0.201 692 3HD1 LEU 94 HD13 LEU 94 24.153 3.114 0.805 693 1HD2 LEU 94 HD21 LEU 94 25.664 3.835 4.136 694 2HD2 LEU 94 HD22 LEU 94 25.516 4.832 2.699 695 3HD2 LEU 94 HD23 LEU 94 24.129 3.855 3.237 696 H ASN 95 H ASN 95 25.897 -1.516 4.859 697 HA ASN 95 HA ASN 95 23.234 -2.422 5.205 698 1HB ASN 95 HB2 ASN 95 24.103 -4.339 6.012 699 2HB ASN 95 HB3 ASN 95 25.554 -3.745 5.228 700 1HD2 ASN 95 HD22 ASN 95 26.870 -2.111 7.002 701 2HD2 ASN 95 HD21 ASN 95 27.071 -2.925 8.526 702 H TYR 96 H TYR 96 25.227 -0.351 7.330 703 HA TYR 96 HA TYR 96 23.708 -0.765 9.700 704 1HB TYR 96 HB2 TYR 96 24.712 1.190 10.567 705 2HB TYR 96 HB3 TYR 96 25.928 0.386 9.600 706 HD1 TYR 96 HD1 TYR 96 23.515 3.273 9.660 707 HD2 TYR 96 HD2 TYR 96 27.043 1.591 7.842 708 HE1 TYR 96 HE1 TYR 96 23.829 5.342 8.371 709 HE2 TYR 96 HE2 TYR 96 27.382 3.673 6.559 710 HH TYR 96 HH TYR 96 26.547 5.814 6.077 711 H LEU 97 H LEU 97 23.055 1.248 6.830 712 HA LEU 97 HA LEU 97 20.941 2.805 8.070 713 1HB LEU 97 HB2 LEU 97 22.123 3.632 6.134 714 2HB LEU 97 HB3 LEU 97 21.682 2.241 5.156 715 HG LEU 97 HG LEU 97 19.402 3.805 6.328 716 1HD1 LEU 97 HD11 LEU 97 19.519 5.520 4.577 717 2HD1 LEU 97 HD12 LEU 97 20.971 5.588 5.577 718 3HD1 LEU 97 HD13 LEU 97 21.047 4.828 3.975 719 1HD2 LEU 97 HD21 LEU 97 18.389 3.395 4.117 720 2HD2 LEU 97 HD22 LEU 97 19.889 2.625 3.561 721 3HD2 LEU 97 HD23 LEU 97 18.916 1.883 4.846 722 H ILE 98 H ILE 98 21.139 -0.106 6.022 723 HA ILE 98 HA ILE 98 18.359 -0.567 5.785 724 HB ILE 98 HB ILE 98 20.722 -2.505 5.701 725 1HG1 ILE 98 HG12 ILE 98 19.190 -1.166 3.434 726 2HG1 ILE 98 HG13 ILE 98 20.748 -0.609 4.035 727 1HG2 ILE 98 HG21 ILE 98 17.800 -2.911 4.951 728 2HG2 ILE 98 HG22 ILE 98 19.093 -3.959 4.356 729 3HG2 ILE 98 HG23 ILE 98 18.776 -3.853 6.084 730 1HD1 ILE 98 HD11 ILE 98 20.214 -3.223 2.600 731 2HD1 ILE 98 HD12 ILE 98 21.199 -1.853 2.086 732 3HD1 ILE 98 HD13 ILE 98 21.737 -2.844 3.450 733 H ASP 99 H ASP 99 20.756 -1.879 8.160 734 HA ASP 99 HA ASP 99 18.874 -3.531 9.426 735 1HB ASP 99 HB2 ASP 99 21.353 -3.767 9.524 736 2HB ASP 99 HB3 ASP 99 21.440 -2.338 10.565 737 H GLN 100 H GLN 100 19.127 -0.126 9.704 738 HA GLN 100 HA GLN 100 17.679 -0.091 12.313 739 1HB GLN 100 HB2 GLN 100 19.278 2.029 10.823 740 2HB GLN 100 HB3 GLN 100 18.337 2.346 12.285 741 1HG GLN 100 HG2 GLN 100 19.661 0.736 13.572 742 2HG GLN 100 HG3 GLN 100 20.607 0.318 12.141 743 1HE2 GLN 100 HE22 GLN 100 21.936 1.999 11.145 744 2HE2 GLN 100 HE21 GLN 100 22.585 3.303 12.142 745 H LEU 101 H LEU 101 16.816 -0.359 9.167 746 HA LEU 101 HA LEU 101 14.432 1.387 9.493 747 1HB LEU 101 HB2 LEU 101 16.299 2.432 8.187 748 2HB LEU 101 HB3 LEU 101 16.221 1.089 7.048 749 HG LEU 101 HG LEU 101 13.992 1.741 6.376 750 1HD1 LEU 101 HD11 LEU 101 13.007 3.939 7.132 751 2HD1 LEU 101 HD12 LEU 101 12.999 2.693 8.379 752 3HD1 LEU 101 HD13 LEU 101 14.222 3.986 8.423 753 1HD2 LEU 101 HD21 LEU 101 15.968 2.760 5.279 754 2HD2 LEU 101 HD22 LEU 101 14.591 3.868 5.268 755 3HD2 LEU 101 HD23 LEU 101 15.911 4.115 6.425 756 H LYS 102 H LYS 102 15.868 -1.559 8.154 757 HA LYS 102 HA LYS 102 13.561 -2.713 6.979 758 1HB LYS 102 HB2 LYS 102 14.763 -4.702 6.991 759 2HB LYS 102 HB3 LYS 102 16.069 -3.517 7.026 760 1HG LYS 102 HG2 LYS 102 16.217 -3.838 9.531 761 2HG LYS 102 HG3 LYS 102 14.984 -5.103 9.387 762 1HD LYS 102 HD2 LYS 102 16.592 -6.158 7.610 763 2HD LYS 102 HD3 LYS 102 17.831 -5.158 8.361 764 1HE LYS 102 HE2 LYS 102 16.044 -7.239 9.703 765 2HE LYS 102 HE3 LYS 102 17.755 -7.442 9.309 766 1HZ LYS 102 HZ1 LYS 102 18.268 -5.717 10.959 767 2HZ LYS 102 HZ2 LYS 102 16.648 -5.547 11.314 768 3HZ LYS 102 HZ3 LYS 102 17.428 -6.939 11.627 769 H GLU 103 H GLU 103 14.279 -1.989 10.273 770 HA GLU 103 HA GLU 103 12.743 -3.916 11.642 771 1HB GLU 103 HB2 GLU 103 13.389 -1.033 12.377 772 2HB GLU 103 HB3 GLU 103 12.883 -2.298 13.506 773 1HG GLU 103 HG2 GLU 103 15.477 -2.225 11.914 774 2HG GLU 103 HG3 GLU 103 15.298 -1.857 13.621 775 H ASP 104 H ASP 104 11.731 -1.243 9.660 776 HA ASP 104 HA ASP 104 8.908 -1.543 10.624 777 1HB ASP 104 HB2 ASP 104 9.730 0.637 11.297 778 2HB ASP 104 HB3 ASP 104 10.365 0.947 9.678 779 H ILE 105 H ILE 105 11.091 -0.895 7.812 780 HA ILE 105 HA ILE 105 8.946 -0.950 5.920 781 HB ILE 105 HB ILE 105 11.962 -1.188 5.582 782 1HG1 ILE 105 HG12 ILE 105 10.013 1.151 5.424 783 2HG1 ILE 105 HG13 ILE 105 11.308 0.934 6.599 784 1HG2 ILE 105 HG21 ILE 105 10.796 -2.122 3.626 785 2HG2 ILE 105 HG22 ILE 105 9.810 -0.645 3.481 786 3HG2 ILE 105 HG23 ILE 105 11.567 -0.625 3.202 787 1HD1 ILE 105 HD11 ILE 105 11.552 1.653 3.681 788 2HD1 ILE 105 HD12 ILE 105 12.149 2.517 5.103 789 3HD1 ILE 105 HD13 ILE 105 12.934 1.001 4.608 790 H GLY 106 H GLY 106 8.223 -2.574 4.638 791 1HA GLY 106 HA2 GLY 106 8.227 -5.218 5.691 792 2HA GLY 106 HA3 GLY 106 7.522 -4.685 4.158 793 H GLU 107 H GLU 107 9.929 -3.783 2.810 794 HA GLU 107 HA GLU 107 11.830 -6.027 2.918 795 1HB GLU 107 HB2 GLU 107 9.972 -6.575 1.231 796 2HB GLU 107 HB3 GLU 107 10.456 -5.123 0.344 797 1HG GLU 107 HG2 GLU 107 11.463 -7.035 -0.708 798 2HG GLU 107 HG3 GLU 107 12.735 -6.086 0.046 799 H VAL 108 H VAL 108 13.913 -5.280 2.484 800 HA VAL 108 HA VAL 108 14.201 -2.551 1.346 801 HB VAL 108 HB VAL 108 15.749 -3.691 3.710 802 1HG1 VAL 108 HG11 VAL 108 15.958 -1.091 2.123 803 2HG1 VAL 108 HG12 VAL 108 16.682 -1.297 3.728 804 3HG1 VAL 108 HG13 VAL 108 17.220 -2.305 2.374 805 1HG2 VAL 108 HG21 VAL 108 13.732 -1.425 3.614 806 2HG2 VAL 108 HG22 VAL 108 13.528 -2.991 4.428 807 3HG2 VAL 108 HG23 VAL 108 14.750 -1.848 5.003 808 H ILE 109 H ILE 109 15.453 -2.562 -0.382 809 HA ILE 109 HA ILE 109 17.106 -4.953 -1.037 810 HB ILE 109 HB ILE 109 15.404 -3.254 -2.906 811 1HG1 ILE 109 HG12 ILE 109 14.492 -6.013 -2.022 812 2HG1 ILE 109 HG13 ILE 109 13.985 -4.584 -1.134 813 1HG2 ILE 109 HG21 ILE 109 16.715 -5.996 -3.215 814 2HG2 ILE 109 HG22 ILE 109 15.626 -5.275 -4.417 815 3HG2 ILE 109 HG23 ILE 109 17.161 -4.501 -4.064 816 1HD1 ILE 109 HD11 ILE 109 12.273 -5.113 -2.672 817 2HD1 ILE 109 HD12 ILE 109 13.020 -3.567 -3.103 818 3HD1 ILE 109 HD13 ILE 109 13.393 -5.031 -4.053 819 H PHE 110 H PHE 110 18.912 -4.442 -2.543 820 HA PHE 110 HA PHE 110 19.613 -1.573 -2.761 821 1HB PHE 110 HB2 PHE 110 20.702 -2.846 -0.757 822 2HB PHE 110 HB3 PHE 110 21.638 -3.685 -1.989 823 HD1 PHE 110 HD1 PHE 110 21.416 -0.777 0.093 824 HD2 PHE 110 HD2 PHE 110 23.048 -2.197 -3.635 825 HE1 PHE 110 HE1 PHE 110 22.903 1.196 -0.013 826 HE2 PHE 110 HE2 PHE 110 24.404 -0.153 -3.820 827 HZ PHE 110 HZ PHE 110 24.342 1.562 -2.004 828 H LEU 111 H LEU 111 20.777 -1.123 -4.685 829 HA LEU 111 HA LEU 111 21.561 -3.406 -6.415 830 1HB LEU 111 HB2 LEU 111 19.505 -2.536 -7.277 831 2HB LEU 111 HB3 LEU 111 20.057 -0.868 -7.161 832 HG LEU 111 HG LEU 111 21.632 -2.801 -8.860 833 1HD1 LEU 111 HD11 LEU 111 19.319 -3.200 -9.543 834 2HD1 LEU 111 HD12 LEU 111 19.026 -1.443 -9.655 835 3HD1 LEU 111 HD13 LEU 111 20.122 -2.254 -10.785 836 1HD2 LEU 111 HD21 LEU 111 22.488 -0.442 -8.625 837 2HD2 LEU 111 HD22 LEU 111 22.002 -0.791 -10.264 838 3HD2 LEU 111 HD23 LEU 111 20.929 0.156 -9.219 839 H GLY 112 H GLY 112 23.577 -3.199 -7.229 840 1HA GLY 112 HA2 GLY 112 25.125 -0.705 -6.680 841 2HA GLY 112 HA3 GLY 112 25.786 -2.326 -6.546 842 H ILE 113 H ILE 113 26.817 -0.275 -8.206 843 HA ILE 113 HA ILE 113 26.529 -1.449 -10.923 844 HB ILE 113 HB ILE 113 26.593 1.495 -10.148 845 1HG1 ILE 113 HG12 ILE 113 24.420 -0.031 -11.656 846 2HG1 ILE 113 HG13 ILE 113 24.358 0.323 -9.928 847 1HG2 ILE 113 HG21 ILE 113 26.645 0.227 -12.923 848 2HG2 ILE 113 HG22 ILE 113 26.472 1.971 -12.589 849 3HG2 ILE 113 HG23 ILE 113 27.957 1.155 -12.165 850 1HD1 ILE 113 HD11 ILE 113 23.053 1.979 -10.980 851 2HD1 ILE 113 HD12 ILE 113 24.554 2.740 -10.417 852 3HD1 ILE 113 HD13 ILE 113 24.328 2.368 -12.148 853 H GLN 114 H GLN 114 28.504 -1.949 -11.776 854 HA GLN 114 HA GLN 114 30.841 -1.774 -10.234 855 1HB GLN 114 HB2 GLN 114 30.435 -3.543 -11.835 856 2HB GLN 114 HB3 GLN 114 30.410 -2.395 -13.170 857 1HG GLN 114 HG2 GLN 114 32.522 -3.603 -13.087 858 2HG GLN 114 HG3 GLN 114 32.800 -1.895 -12.836 859 1HE2 GLN 114 HE22 GLN 114 34.270 -1.479 -11.202 860 2HE2 GLN 114 HE21 GLN 114 34.558 -2.557 -9.821 861 HA PRO 115 HA PRO 115 32.120 2.444 -11.594 862 1HB PRO 115 HB2 PRO 115 34.423 2.611 -10.044 863 2HB PRO 115 HB3 PRO 115 32.797 2.799 -9.355 864 1HG PRO 115 HG2 PRO 115 34.448 0.283 -9.407 865 2HG PRO 115 HG3 PRO 115 33.633 1.060 -8.005 866 1HD PRO 115 HD2 PRO 115 32.424 -0.925 -9.330 867 2HD PRO 115 HD3 PRO 115 31.480 0.500 -8.828 868 H ASP 116 H ASP 116 34.110 3.393 -12.469 869 HA ASP 116 HA ASP 116 36.203 1.529 -13.394 870 1HB ASP 116 HB2 ASP 116 34.683 1.751 -15.300 871 2HB ASP 116 HB3 ASP 116 34.821 3.506 -15.234 872 H ILE 117 H ILE 117 35.167 4.977 -12.852 873 HA ILE 117 HA ILE 117 37.882 5.457 -11.817 874 HB ILE 117 HB ILE 117 38.265 7.466 -12.875 875 1HG1 ILE 117 HG12 ILE 117 36.516 8.378 -14.656 876 2HG1 ILE 117 HG13 ILE 117 35.346 7.569 -13.612 877 1HG2 ILE 117 HG21 ILE 117 38.680 5.579 -14.405 878 2HG2 ILE 117 HG22 ILE 117 37.069 5.811 -15.126 879 3HG2 ILE 117 HG23 ILE 117 38.294 7.078 -15.263 880 1HD1 ILE 117 HD11 ILE 117 37.336 9.764 -12.914 881 2HD1 ILE 117 HD12 ILE 117 35.562 9.882 -12.977 882 3HD1 ILE 117 HD13 ILE 117 36.347 8.957 -11.688 883 H VAL 118 H VAL 118 37.839 6.610 -9.894 884 HA VAL 118 HA VAL 118 35.363 8.005 -9.096 885 HB VAL 118 HB VAL 118 36.725 5.820 -7.451 886 1HG1 VAL 118 HG11 VAL 118 36.107 7.693 -5.967 887 2HG1 VAL 118 HG12 VAL 118 34.460 7.699 -6.640 888 3HG1 VAL 118 HG13 VAL 118 35.042 6.314 -5.700 889 1HG2 VAL 118 HG21 VAL 118 35.098 4.893 -9.061 890 2HG2 VAL 118 HG22 VAL 118 34.478 4.764 -7.418 891 3HG2 VAL 118 HG23 VAL 118 33.864 6.039 -8.487 892 H GLY 119 H GLY 119 35.888 9.884 -8.076 893 1HA GLY 119 HA2 GLY 119 37.875 10.550 -6.350 894 2HA GLY 119 HA3 GLY 119 38.667 10.755 -7.925 895 H PHE 120 H PHE 120 37.964 12.908 -6.040 896 HA PHE 120 HA PHE 120 35.486 14.114 -6.720 897 1HB PHE 120 HB2 PHE 120 37.999 15.297 -5.486 898 2HB PHE 120 HB3 PHE 120 36.446 16.112 -5.584 899 HD1 PHE 120 HD1 PHE 120 38.464 13.940 -3.567 900 HD2 PHE 120 HD2 PHE 120 34.370 14.926 -4.530 901 HE1 PHE 120 HE1 PHE 120 37.710 12.912 -1.439 902 HE2 PHE 120 HE2 PHE 120 33.627 13.891 -2.403 903 HZ PHE 120 HZ PHE 120 35.291 12.886 -0.853 904 H TYR 121 H TYR 121 35.010 15.829 -7.907 905 HA TYR 121 HA TYR 121 34.851 17.149 -9.671 906 1HB TYR 121 HB2 TYR 121 37.836 17.641 -9.434 907 2HB TYR 121 HB3 TYR 121 36.653 18.664 -10.233 908 HD1 TYR 121 HD1 TYR 121 34.810 19.775 -8.830 909 HD2 TYR 121 HD2 TYR 121 38.271 17.875 -7.084 910 HE1 TYR 121 HE1 TYR 121 34.407 20.993 -6.712 911 HE2 TYR 121 HE2 TYR 121 37.871 19.078 -4.961 912 HH TYR 121 HH TYR 121 36.513 20.596 -3.823 913 H TYR 122 H TYR 122 34.995 14.416 -10.206 914 HA TYR 122 HA TYR 122 36.101 14.469 -12.978 915 1HB TYR 122 HB2 TYR 122 35.822 12.054 -11.159 916 2HB TYR 122 HB3 TYR 122 36.279 12.026 -12.849 917 HD1 TYR 122 HD1 TYR 122 38.310 14.486 -12.614 918 HD2 TYR 122 HD2 TYR 122 37.720 10.757 -10.526 919 HE1 TYR 122 HE1 TYR 122 40.715 14.400 -12.091 920 HE2 TYR 122 HE2 TYR 122 40.130 10.623 -10.054 921 HH TYR 122 HH TYR 122 42.208 11.685 -10.259 922 HA PRO 123 HA PRO 123 31.824 13.663 -13.930 923 1HB PRO 123 HB2 PRO 123 31.940 12.818 -16.500 924 2HB PRO 123 HB3 PRO 123 32.426 14.481 -16.042 925 1HG PRO 123 HG2 PRO 123 34.210 12.071 -16.487 926 2HG PRO 123 HG3 PRO 123 34.405 13.728 -17.143 927 1HD PRO 123 HD2 PRO 123 35.694 12.813 -14.885 928 2HD PRO 123 HD3 PRO 123 35.233 14.532 -15.106 929 H MET 124 H MET 124 30.318 11.898 -14.329 930 HA MET 124 HA MET 124 31.116 9.268 -13.442 931 1HB MET 124 HB2 MET 124 28.850 10.228 -13.122 932 2HB MET 124 HB3 MET 124 28.602 10.242 -14.876 933 1HG MET 124 HG2 MET 124 28.899 7.764 -14.910 934 2HG MET 124 HG3 MET 124 29.091 7.777 -13.159 935 1HE MET 124 HE1 MET 124 26.870 9.823 -12.100 936 2HE MET 124 HE2 MET 124 25.592 8.631 -11.818 937 3HE MET 124 HE3 MET 124 27.281 8.217 -11.448 938 H THR 125 H THR 125 31.862 7.597 -14.700 939 HA THR 125 HA THR 125 32.715 8.062 -17.369 940 HB THR 125 HB THR 125 32.843 5.353 -17.045 941 HG1 THR 125 HG1 THR 125 33.156 4.882 -14.896 942 1HG2 THR 125 HG21 THR 125 34.676 7.458 -15.853 943 2HG2 THR 125 HG22 THR 125 35.108 5.748 -16.124 944 3HG2 THR 125 HG23 THR 125 34.740 6.796 -17.499 945 H GLN 126 H GLN 126 32.084 6.993 -19.288 946 HA GLN 126 HA GLN 126 29.359 7.286 -19.798 947 1HB GLN 126 HB2 GLN 126 31.269 7.518 -21.386 948 2HB GLN 126 HB3 GLN 126 31.346 5.768 -21.543 949 1HG GLN 126 HG2 GLN 126 28.744 7.263 -22.066 950 2HG GLN 126 HG3 GLN 126 30.028 7.282 -23.260 951 1HE2 GLN 126 HE22 GLN 126 27.696 5.135 -21.601 952 2HE2 GLN 126 HE21 GLN 126 27.799 3.862 -22.799 953 HA PRO 127 HA PRO 127 28.644 2.617 -19.863 954 1HB PRO 127 HB2 PRO 127 30.195 0.913 -18.325 955 2HB PRO 127 HB3 PRO 127 30.421 1.228 -20.070 956 1HG PRO 127 HG2 PRO 127 31.895 2.452 -17.742 957 2HG PRO 127 HG3 PRO 127 32.555 1.871 -19.296 958 1HD PRO 127 HD2 PRO 127 32.102 4.494 -18.802 959 2HD PRO 127 HD3 PRO 127 31.850 3.804 -20.425 960 H ILE 128 H ILE 128 29.795 4.288 -16.951 961 HA ILE 128 HA ILE 128 27.926 2.888 -15.196 962 HB ILE 128 HB ILE 128 29.787 5.247 -14.807 963 1HG1 ILE 128 HG12 ILE 128 30.909 3.774 -13.219 964 2HG1 ILE 128 HG13 ILE 128 29.703 2.517 -13.439 965 1HG2 ILE 128 HG21 ILE 128 27.996 3.970 -12.688 966 2HG2 ILE 128 HG22 ILE 128 29.158 5.291 -12.460 967 3HG2 ILE 128 HG23 ILE 128 27.705 5.556 -13.405 968 1HD1 ILE 128 HD11 ILE 128 30.588 1.946 -15.593 969 2HD1 ILE 128 HD12 ILE 128 31.613 3.409 -15.623 970 3HD1 ILE 128 HD13 ILE 128 31.946 2.098 -14.476 971 H LYS 129 H LYS 129 28.058 5.996 -16.986 972 HA LYS 129 HA LYS 129 25.512 7.000 -16.161 973 1HB LYS 129 HB2 LYS 129 26.957 7.246 -18.839 974 2HB LYS 129 HB3 LYS 129 25.440 8.057 -18.472 975 1HG LYS 129 HG2 LYS 129 26.457 9.331 -16.678 976 2HG LYS 129 HG3 LYS 129 28.003 8.484 -16.894 977 1HD LYS 129 HD2 LYS 129 28.270 9.372 -19.136 978 2HD LYS 129 HD3 LYS 129 26.643 10.087 -19.100 979 1HE LYS 129 HE2 LYS 129 27.309 11.559 -17.227 980 2HE LYS 129 HE3 LYS 129 28.931 10.857 -17.240 981 1HZ LYS 129 HZ1 LYS 129 29.234 11.743 -19.476 982 2HZ LYS 129 HZ2 LYS 129 27.727 12.379 -19.481 983 3HZ LYS 129 HZ3 LYS 129 28.851 12.949 -18.452 984 H ASP 130 H ASP 130 26.381 4.779 -18.839 985 HA ASP 130 HA ASP 130 23.728 4.364 -19.758 986 1HB ASP 130 HB2 ASP 130 25.681 3.728 -21.074 987 2HB ASP 130 HB3 ASP 130 26.148 2.529 -19.866 988 H ALA 131 H ALA 131 25.600 2.663 -17.240 989 HA ALA 131 HA ALA 131 23.647 0.687 -16.668 990 1HB ALA 131 HB1 ALA 131 24.835 0.404 -14.552 991 2HB ALA 131 HB2 ALA 131 25.994 0.611 -15.883 992 3HB ALA 131 HB3 ALA 131 25.667 1.953 -14.772 993 H VAL 132 H VAL 132 24.195 3.930 -15.104 994 HA VAL 132 HA VAL 132 21.993 3.739 -13.330 995 HB VAL 132 HB VAL 132 23.405 6.142 -14.565 996 1HG1 VAL 132 HG11 VAL 132 21.291 6.016 -12.386 997 2HG1 VAL 132 HG12 VAL 132 22.390 7.388 -12.564 998 3HG1 VAL 132 HG13 VAL 132 21.259 6.992 -13.868 999 1HG2 VAL 132 HG21 VAL 132 24.779 4.689 -13.026 1000 2HG2 VAL 132 HG22 VAL 132 24.512 6.318 -12.404 1001 3HG2 VAL 132 HG23 VAL 132 23.572 4.959 -11.753 1002 H GLU 133 H GLU 133 22.151 4.913 -16.751 1003 HA GLU 133 HA GLU 133 19.409 5.693 -16.797 1004 1HB GLU 133 HB2 GLU 133 21.133 6.527 -18.325 1005 2HB GLU 133 HB3 GLU 133 21.229 4.944 -19.117 1006 1HG GLU 133 HG2 GLU 133 19.032 5.139 -20.006 1007 2HG GLU 133 HG3 GLU 133 18.574 6.399 -18.858 1008 H THR 134 H THR 134 20.976 2.539 -17.256 1009 HA THR 134 HA THR 134 18.640 1.214 -18.320 1010 HB THR 134 HB THR 134 21.012 0.041 -16.810 1011 HG1 THR 134 HG1 THR 134 21.649 1.177 -18.664 1012 1HG2 THR 134 HG21 THR 134 18.985 -1.233 -18.704 1013 2HG2 THR 134 HG22 THR 134 20.436 -2.032 -18.053 1014 3HG2 THR 134 HG23 THR 134 19.129 -1.551 -16.965 1015 H VAL 135 H VAL 135 20.011 1.595 -14.969 1016 HA VAL 135 HA VAL 135 17.913 0.167 -13.664 1017 HB VAL 135 HB VAL 135 19.668 2.473 -12.687 1018 1HG1 VAL 135 HG11 VAL 135 17.968 0.516 -11.076 1019 2HG1 VAL 135 HG12 VAL 135 19.165 1.641 -10.394 1020 3HG1 VAL 135 HG13 VAL 135 17.724 2.271 -11.196 1021 1HG2 VAL 135 HG21 VAL 135 21.023 0.723 -11.653 1022 2HG2 VAL 135 HG22 VAL 135 19.946 -0.540 -12.304 1023 3HG2 VAL 135 HG23 VAL 135 20.943 0.440 -13.383 1024 H TYR 136 H TYR 136 18.273 3.643 -14.477 1025 HA TYR 136 HA TYR 136 15.910 4.637 -13.423 1026 1HB TYR 136 HB2 TYR 136 17.558 6.127 -14.310 1027 2HB TYR 136 HB3 TYR 136 17.511 5.351 -15.882 1028 HD1 TYR 136 HD1 TYR 136 16.290 6.314 -17.623 1029 HD2 TYR 136 HD2 TYR 136 15.180 7.107 -13.523 1030 HE1 TYR 136 HE1 TYR 136 14.507 7.861 -18.398 1031 HE2 TYR 136 HE2 TYR 136 13.386 8.618 -14.295 1032 HH TYR 136 HH TYR 136 12.314 9.527 -16.076 1033 H GLN 137 H GLN 137 16.299 3.427 -16.857 1034 HA GLN 137 HA GLN 137 13.473 3.706 -17.234 1035 1HB GLN 137 HB2 GLN 137 13.771 2.737 -19.401 1036 2HB GLN 137 HB3 GLN 137 15.073 3.868 -19.055 1037 1HG GLN 137 HG2 GLN 137 16.430 1.747 -18.347 1038 2HG GLN 137 HG3 GLN 137 15.184 0.834 -19.193 1039 1HE2 GLN 137 HE22 GLN 137 17.567 3.489 -19.531 1040 2HE2 GLN 137 HE21 GLN 137 17.842 3.285 -21.256 1041 H ARG 138 H ARG 138 15.402 0.988 -16.006 1042 HA ARG 138 HA ARG 138 13.423 -1.012 -16.406 1043 1HB ARG 138 HB2 ARG 138 15.850 -1.386 -15.717 1044 2HB ARG 138 HB3 ARG 138 15.414 -0.859 -14.093 1045 1HG ARG 138 HG2 ARG 138 15.479 -3.271 -14.194 1046 2HG ARG 138 HG3 ARG 138 13.806 -2.800 -13.929 1047 1HD ARG 138 HD2 ARG 138 13.225 -3.280 -16.211 1048 2HD ARG 138 HD3 ARG 138 14.929 -3.337 -16.717 1049 HE ARG 138 HE ARG 138 14.823 -5.321 -14.859 1050 1HH1 ARG 138 HH21 ARG 138 12.997 -4.698 -17.854 1051 2HH1 ARG 138 HH22 ARG 138 12.629 -6.360 -18.125 1052 1HH2 ARG 138 HH11 ARG 138 14.269 -7.437 -15.151 1053 2HH2 ARG 138 HH12 ARG 138 13.412 -7.997 -16.561 1054 H LEU 139 H LEU 139 13.742 1.469 -13.895 1055 HA LEU 139 HA LEU 139 12.011 0.387 -11.977 1056 1HB LEU 139 HB2 LEU 139 12.632 3.247 -12.742 1057 2HB LEU 139 HB3 LEU 139 11.608 2.871 -11.381 1058 HG LEU 139 HG LEU 139 14.431 1.785 -11.574 1059 1HD1 LEU 139 HD11 LEU 139 13.424 4.352 -10.278 1060 2HD1 LEU 139 HD12 LEU 139 15.058 3.670 -10.078 1061 3HD1 LEU 139 HD13 LEU 139 14.511 4.234 -11.666 1062 1HD2 LEU 139 HD21 LEU 139 14.244 1.520 -9.165 1063 2HD2 LEU 139 HD22 LEU 139 12.605 2.198 -9.175 1064 3HD2 LEU 139 HD23 LEU 139 12.936 0.632 -9.950 1065 H GLU 140 H GLU 140 11.035 1.540 -15.143 1066 HA GLU 140 HA GLU 140 8.313 2.146 -14.281 1067 1HB GLU 140 HB2 GLU 140 9.743 3.041 -16.315 1068 2HB GLU 140 HB3 GLU 140 9.078 1.654 -17.161 1069 1HG GLU 140 HG2 GLU 140 6.799 2.485 -16.750 1070 2HG GLU 140 HG3 GLU 140 7.413 3.740 -15.669 1071 H GLY 141 H GLY 141 10.021 -0.768 -14.995 1072 1HA GLY 141 HA2 GLY 141 7.449 -2.296 -15.155 1073 2HA GLY 141 HA3 GLY 141 8.809 -2.622 -16.237 1074 H TRP 142 H TRP 142 10.401 -1.834 -13.525 1075 HA TRP 142 HA TRP 142 11.209 -4.330 -12.647 1076 1HB TRP 142 HB2 TRP 142 12.371 -2.211 -12.228 1077 2HB TRP 142 HB3 TRP 142 11.054 -1.637 -11.227 1078 HD1 TRP 142 HD1 TRP 142 10.742 -3.792 -9.082 1079 HE1 TRP 142 HE1 TRP 142 12.551 -4.431 -7.429 1080 HE3 TRP 142 HE3 TRP 142 14.739 -1.819 -11.568 1081 HZ2 TRP 142 HZ2 TRP 142 15.414 -4.022 -7.149 1082 HZ3 TRP 142 HZ3 TRP 142 16.981 -1.869 -10.532 1083 HH2 TRP 142 HH2 TRP 142 17.334 -2.982 -8.332 1084 H GLU 143 H GLU 143 10.428 -5.788 -11.247 1085 HA GLU 143 HA GLU 143 8.548 -5.065 -9.168 1086 1HB GLU 143 HB2 GLU 143 7.045 -5.830 -11.002 1087 2HB GLU 143 HB3 GLU 143 7.956 -7.336 -11.128 1088 1HG GLU 143 HG2 GLU 143 5.852 -7.628 -9.884 1089 2HG GLU 143 HG3 GLU 143 7.244 -8.009 -8.885 1090 H GLY 144 H GLY 144 8.776 -6.615 -7.414 1091 1HA GLY 144 HA2 GLY 144 10.132 -7.758 -5.953 1092 2HA GLY 144 HA3 GLY 144 10.571 -8.802 -7.312 1093 H ASN 145 H ASN 145 12.614 -8.648 -8.122 1094 HA ASN 145 HA ASN 145 14.407 -6.529 -7.049 1095 1HB ASN 145 HB2 ASN 145 16.099 -8.043 -6.909 1096 2HB ASN 145 HB3 ASN 145 14.740 -9.049 -6.442 1097 1HD2 ASN 145 HD22 ASN 145 17.398 -9.809 -7.616 1098 2HD2 ASN 145 HD21 ASN 145 17.127 -10.492 -9.189 1099 H GLY 146 H GLY 146 12.687 -6.833 -9.748 1100 1HA GLY 146 HA2 GLY 146 12.916 -5.817 -11.783 1101 2HA GLY 146 HA3 GLY 146 14.529 -5.263 -11.307 1102 H GLY 147 H GLY 147 14.409 -8.656 -10.948 1103 1HA GLY 147 HA2 GLY 147 15.053 -10.421 -12.223 1104 2HA GLY 147 HA3 GLY 147 14.788 -9.467 -13.690 1105 H PHE 148 H PHE 148 16.919 -7.772 -11.562 1106 HA PHE 148 HA PHE 148 19.262 -8.311 -13.165 1107 1HB PHE 148 HB2 PHE 148 18.721 -6.809 -10.595 1108 2HB PHE 148 HB3 PHE 148 20.340 -6.976 -11.269 1109 HD1 PHE 148 HD1 PHE 148 20.633 -6.216 -13.786 1110 HD2 PHE 148 HD2 PHE 148 17.382 -4.970 -11.229 1111 HE1 PHE 148 HE1 PHE 148 20.270 -4.222 -15.215 1112 HE2 PHE 148 HE2 PHE 148 17.085 -2.940 -12.620 1113 HZ PHE 148 HZ PHE 148 18.507 -2.566 -14.622 1114 H ALA 149 H ALA 149 21.130 -9.349 -12.377 1115 HA ALA 149 HA ALA 149 20.699 -11.766 -10.808 1116 1HB ALA 149 HB1 ALA 149 23.134 -12.117 -11.242 1117 2HB ALA 149 HB2 ALA 149 22.225 -11.807 -12.731 1118 3HB ALA 149 HB3 ALA 149 23.218 -10.521 -12.015 1119 H GLN 150 H GLN 150 21.888 -12.225 -8.875 1120 HA GLN 150 HA GLN 150 22.156 -9.880 -7.095 1121 1HB GLN 150 HB2 GLN 150 20.497 -11.860 -6.786 1122 2HB GLN 150 HB3 GLN 150 21.899 -12.786 -6.244 1123 1HG GLN 150 HG2 GLN 150 20.966 -10.143 -5.017 1124 2HG GLN 150 HG3 GLN 150 20.436 -11.723 -4.458 1125 1HE2 GLN 150 HE22 GLN 150 23.044 -9.394 -4.396 1126 2HE2 GLN 150 HE21 GLN 150 24.196 -10.400 -3.534 1127 H LEU 151 H LEU 151 24.117 -9.289 -6.423 1128 HA LEU 151 HA LEU 151 26.544 -10.292 -7.376 1129 1HB LEU 151 HB2 LEU 151 26.157 -7.986 -6.551 1130 2HB LEU 151 HB3 LEU 151 25.884 -8.600 -4.926 1131 HG LEU 151 HG LEU 151 28.250 -9.339 -4.792 1132 1HD1 LEU 151 HD11 LEU 151 28.742 -9.808 -7.166 1133 2HD1 LEU 151 HD12 LEU 151 28.502 -8.102 -7.569 1134 3HD1 LEU 151 HD13 LEU 151 29.864 -8.599 -6.543 1135 1HD2 LEU 151 HD21 LEU 151 27.734 -6.449 -5.609 1136 2HD2 LEU 151 HD22 LEU 151 27.667 -7.145 -3.983 1137 3HD2 LEU 151 HD23 LEU 151 29.217 -7.014 -4.811 1138 H ALA 152 H ALA 152 27.789 -11.934 -6.753 1139 HA ALA 152 HA ALA 152 27.780 -12.881 -3.945 1140 1HB ALA 152 HB1 ALA 152 27.341 -14.704 -6.347 1141 2HB ALA 152 HB2 ALA 152 27.554 -15.213 -4.654 1142 3HB ALA 152 HB3 ALA 152 26.124 -14.268 -5.121 1143 H VAL 153 H VAL 153 29.692 -11.318 -4.584 1144 HA VAL 153 HA VAL 153 31.892 -10.968 -4.922 1145 HB VAL 153 HB VAL 153 32.138 -13.773 -3.794 1146 1HG1 VAL 153 HG11 VAL 153 34.132 -12.837 -2.638 1147 2HG1 VAL 153 HG12 VAL 153 34.319 -12.670 -4.383 1148 3HG1 VAL 153 HG13 VAL 153 33.857 -11.261 -3.411 1149 1HG2 VAL 153 HG21 VAL 153 31.535 -11.167 -2.331 1150 2HG2 VAL 153 HG22 VAL 153 30.504 -12.614 -2.404 1151 3HG2 VAL 153 HG23 VAL 153 32.035 -12.680 -1.545 1152 H GLU 154 H GLU 154 30.952 -11.234 -7.263 1153 HA GLU 154 HA GLU 154 32.016 -13.410 -8.884 1154 1HB GLU 154 HB2 GLU 154 30.630 -10.769 -9.524 1155 2HB GLU 154 HB3 GLU 154 31.071 -11.985 -10.737 1156 1HG GLU 154 HG2 GLU 154 29.609 -13.632 -9.763 1157 2HG GLU 154 HG3 GLU 154 29.245 -12.581 -8.384 1158 H GLU 155 H GLU 155 33.148 -12.581 -11.023 1159 HA GLU 155 HA GLU 155 34.948 -10.319 -10.738 1160 1HB GLU 155 HB2 GLU 155 35.972 -13.153 -11.265 1161 2HB GLU 155 HB3 GLU 155 36.881 -11.676 -11.592 1162 1HG GLU 155 HG2 GLU 155 36.763 -11.089 -9.164 1163 2HG GLU 155 HG3 GLU 155 35.982 -12.647 -8.853 1164 H GLU 156 H GLU 156 35.546 -9.603 -12.863 1165 HA GLU 156 HA GLU 156 33.885 -10.073 -15.087 1166 1HB GLU 156 HB2 GLU 156 35.338 -8.103 -14.801 1167 2HB GLU 156 HB3 GLU 156 36.778 -9.115 -14.941 1168 1HG GLU 156 HG2 GLU 156 36.118 -9.702 -17.278 1169 2HG GLU 156 HG3 GLU 156 34.680 -8.694 -17.114 Start of MODEL 4 1 1H MET 1 H1 MET 1 0.123 -0.633 -0.502 2 2H MET 1 H2 MET 1 0.684 0.670 0.317 3 3H MET 1 H3 MET 1 -0.026 0.871 -1.142 4 HA MET 1 HA MET 1 2.516 -0.504 -0.629 5 1HB MET 1 HB2 MET 1 1.352 -1.573 -2.490 6 2HB MET 1 HB3 MET 1 1.085 -0.015 -3.273 7 1HG MET 1 HG2 MET 1 2.935 -1.228 -4.316 8 2HG MET 1 HG3 MET 1 3.474 0.288 -3.621 9 1HE MET 1 HE1 MET 1 2.927 -3.435 -2.170 10 2HE MET 1 HE2 MET 1 3.815 -3.561 -3.708 11 3HE MET 1 HE3 MET 1 4.625 -3.959 -2.178 12 H THR 2 H THR 2 4.103 0.870 -0.227 13 HA THR 2 HA THR 2 4.299 3.418 -1.739 14 HB THR 2 HB THR 2 4.942 3.009 1.213 15 HG1 THR 2 HG1 THR 2 2.755 3.264 0.921 16 1HG2 THR 2 HG21 THR 2 5.173 5.514 -0.521 17 2HG2 THR 2 HG22 THR 2 5.418 5.441 1.242 18 3HG2 THR 2 HG23 THR 2 6.525 4.589 0.159 19 H ASP 3 H ASP 3 6.171 3.429 -2.812 20 HA ASP 3 HA ASP 3 8.303 1.420 -2.207 21 1HB ASP 3 HB2 ASP 3 7.007 2.357 -4.806 22 2HB ASP 3 HB3 ASP 3 8.674 1.804 -4.783 23 H VAL 4 H VAL 4 9.817 2.777 -1.134 24 HA VAL 4 HA VAL 4 10.277 5.465 -2.267 25 HB VAL 4 HB VAL 4 11.892 5.586 -0.337 26 1HG1 VAL 4 HG11 VAL 4 10.113 6.074 1.329 27 2HG1 VAL 4 HG12 VAL 4 9.781 6.772 -0.257 28 3HG1 VAL 4 HG13 VAL 4 8.921 5.303 0.258 29 1HG2 VAL 4 HG21 VAL 4 11.655 4.133 1.552 30 2HG2 VAL 4 HG22 VAL 4 10.355 3.222 0.760 31 3HG2 VAL 4 HG23 VAL 4 11.994 3.153 0.135 32 H LEU 5 H LEU 5 12.155 6.015 -3.225 33 HA LEU 5 HA LEU 5 14.138 3.852 -3.855 34 1HB LEU 5 HB2 LEU 5 12.975 4.766 -5.874 35 2HB LEU 5 HB3 LEU 5 13.359 6.400 -5.349 36 HG LEU 5 HG LEU 5 15.843 5.769 -5.533 37 1HD1 LEU 5 HD11 LEU 5 16.365 3.863 -7.029 38 2HD1 LEU 5 HD12 LEU 5 15.610 3.307 -5.533 39 3HD1 LEU 5 HD13 LEU 5 14.654 3.384 -7.028 40 1HD2 LEU 5 HD21 LEU 5 15.828 6.056 -7.996 41 2HD2 LEU 5 HD22 LEU 5 14.079 5.736 -8.014 42 3HD2 LEU 5 HD23 LEU 5 14.723 7.165 -7.185 43 H LEU 6 H LEU 6 16.101 4.257 -2.797 44 HA LEU 6 HA LEU 6 16.561 7.038 -1.811 45 1HB LEU 6 HB2 LEU 6 16.205 5.503 0.062 46 2HB LEU 6 HB3 LEU 6 17.499 4.452 -0.545 47 HG LEU 6 HG LEU 6 19.100 6.424 -0.292 48 1HD1 LEU 6 HD11 LEU 6 17.536 8.296 -0.327 49 2HD1 LEU 6 HD12 LEU 6 16.727 7.679 1.136 50 3HD1 LEU 6 HD13 LEU 6 18.399 8.275 1.206 51 1HD2 LEU 6 HD21 LEU 6 17.655 5.276 2.110 52 2HD2 LEU 6 HD22 LEU 6 19.189 4.764 1.380 53 3HD2 LEU 6 HD23 LEU 6 19.105 6.293 2.246 54 H CYS 7 H CYS 7 17.676 7.830 -3.458 55 HA CYS 7 HA CYS 7 19.941 6.442 -4.682 56 1HB CYS 7 HB2 CYS 7 18.887 9.311 -4.668 57 2HB CYS 7 HB3 CYS 7 20.273 8.783 -5.621 58 HG CYS 7 HG CYS 7 19.048 6.915 -6.961 59 H VAL 8 H VAL 8 22.061 6.594 -4.049 60 HA VAL 8 HA VAL 8 22.856 8.440 -1.874 61 HB VAL 8 HB VAL 8 23.367 5.428 -2.061 62 1HG1 VAL 8 HG11 VAL 8 25.345 6.516 -1.160 63 2HG1 VAL 8 HG12 VAL 8 24.352 7.442 -0.007 64 3HG1 VAL 8 HG13 VAL 8 24.493 5.679 0.137 65 1HG2 VAL 8 HG21 VAL 8 21.145 5.768 -1.235 66 2HG2 VAL 8 HG22 VAL 8 22.165 5.313 0.124 67 3HG2 VAL 8 HG23 VAL 8 21.691 7.017 -0.094 68 H GLY 9 H GLY 9 24.998 9.227 -2.218 69 1HA GLY 9 HA2 GLY 9 27.173 8.265 -3.409 70 2HA GLY 9 HA3 GLY 9 26.207 8.604 -4.844 71 H ASN 10 H ASN 10 28.300 9.973 -5.064 72 HA ASN 10 HA ASN 10 27.650 12.773 -4.275 73 1HB ASN 10 HB2 ASN 10 29.302 12.168 -2.683 74 2HB ASN 10 HB3 ASN 10 30.292 11.342 -3.865 75 1HD2 ASN 10 HD22 ASN 10 31.263 13.330 -2.062 76 2HD2 ASN 10 HD21 ASN 10 31.768 14.708 -3.006 77 H SER 11 H SER 11 27.354 13.821 -6.081 78 HA SER 11 HA SER 11 27.545 12.828 -8.597 79 1HB SER 11 HB2 SER 11 27.566 15.780 -7.927 80 2HB SER 11 HB3 SER 11 26.702 14.953 -9.234 81 HG SER 11 HG SER 11 25.337 15.522 -7.467 82 H MET 12 H MET 12 30.343 14.040 -6.932 83 HA MET 12 HA MET 12 31.713 14.383 -9.547 84 1HB MET 12 HB2 MET 12 32.858 16.340 -8.871 85 2HB MET 12 HB3 MET 12 31.135 16.628 -8.651 86 1HG MET 12 HG2 MET 12 31.396 16.208 -6.204 87 2HG MET 12 HG3 MET 12 33.118 15.896 -6.447 88 1HE MET 12 HE1 MET 12 30.701 18.782 -7.927 89 2HE MET 12 HE2 MET 12 30.262 18.524 -6.221 90 3HE MET 12 HE3 MET 12 31.047 20.037 -6.722 91 H MET 13 H MET 13 31.485 12.343 -7.158 92 HA MET 13 HA MET 13 34.375 12.080 -6.579 93 1HB MET 13 HB2 MET 13 31.831 11.146 -5.383 94 2HB MET 13 HB3 MET 13 33.162 9.994 -5.293 95 1HG MET 13 HG2 MET 13 33.284 12.860 -4.338 96 2HG MET 13 HG3 MET 13 32.998 11.455 -3.314 97 1HE MET 13 HE1 MET 13 36.496 9.586 -3.511 98 2HE MET 13 HE2 MET 13 34.775 9.435 -3.088 99 3HE MET 13 HE3 MET 13 35.288 9.366 -4.791 100 H GLY 14 H GLY 14 33.169 11.776 -9.350 101 1HA GLY 14 HA2 GLY 14 33.826 10.458 -11.113 102 2HA GLY 14 HA3 GLY 14 34.403 9.213 -9.996 103 H ASP 15 H ASP 15 33.329 7.453 -10.707 104 HA ASP 15 HA ASP 15 30.620 7.333 -11.614 105 1HB ASP 15 HB2 ASP 15 32.523 5.228 -10.548 106 2HB ASP 15 HB3 ASP 15 30.945 4.858 -11.224 107 H ASP 16 H ASP 16 31.910 7.625 -8.452 108 HA ASP 16 HA ASP 16 29.968 6.327 -6.852 109 1HB ASP 16 HB2 ASP 16 32.228 7.278 -6.207 110 2HB ASP 16 HB3 ASP 16 31.476 8.877 -6.259 111 H GLY 17 H GLY 17 29.454 8.940 -8.995 112 1HA GLY 17 HA2 GLY 17 27.343 10.273 -7.457 113 2HA GLY 17 HA3 GLY 17 27.827 10.579 -9.129 114 H ALA 18 H ALA 18 27.137 7.210 -8.287 115 HA ALA 18 HA ALA 18 25.414 7.015 -10.506 116 1HB ALA 18 HB1 ALA 18 26.707 5.131 -9.639 117 2HB ALA 18 HB2 ALA 18 25.735 5.136 -8.147 118 3HB ALA 18 HB3 ALA 18 24.980 4.735 -9.703 119 H GLY 19 H GLY 19 24.571 7.008 -6.991 120 1HA GLY 19 HA2 GLY 19 21.760 6.855 -7.347 121 2HA GLY 19 HA3 GLY 19 22.593 7.510 -5.938 122 HA PRO 20 HA PRO 20 21.793 11.726 -6.996 123 1HB PRO 20 HB2 PRO 20 24.553 12.114 -8.192 124 2HB PRO 20 HB3 PRO 20 23.605 13.240 -7.165 125 1HG PRO 20 HG2 PRO 20 25.525 11.661 -6.065 126 2HG PRO 20 HG3 PRO 20 23.963 11.892 -5.223 127 1HD PRO 20 HD2 PRO 20 24.923 9.516 -6.767 128 2HD PRO 20 HD3 PRO 20 23.845 9.600 -5.352 129 H LEU 21 H LEU 21 23.492 10.138 -9.850 130 HA LEU 21 HA LEU 21 22.143 11.896 -11.703 131 1HB LEU 21 HB2 LEU 21 24.256 10.796 -12.261 132 2HB LEU 21 HB3 LEU 21 23.519 9.210 -12.061 133 HG LEU 21 HG LEU 21 21.989 9.680 -13.989 134 1HD1 LEU 21 HD11 LEU 21 22.530 11.657 -15.462 135 2HD1 LEU 21 HD12 LEU 21 21.817 12.113 -13.913 136 3HD1 LEU 21 HD13 LEU 21 23.567 12.285 -14.166 137 1HD2 LEU 21 HD21 LEU 21 23.682 9.520 -15.750 138 2HD2 LEU 21 HD22 LEU 21 24.928 10.105 -14.623 139 3HD2 LEU 21 HD23 LEU 21 24.133 8.540 -14.348 140 H LEU 22 H LEU 22 21.440 8.651 -10.316 141 HA LEU 22 HA LEU 22 19.161 8.118 -11.946 142 1HB LEU 22 HB2 LEU 22 20.262 6.382 -10.563 143 2HB LEU 22 HB3 LEU 22 19.812 7.238 -9.099 144 HG LEU 22 HG LEU 22 17.438 6.887 -9.543 145 1HD1 LEU 22 HD11 LEU 22 16.739 5.297 -11.363 146 2HD1 LEU 22 HD12 LEU 22 17.349 6.822 -11.991 147 3HD1 LEU 22 HD13 LEU 22 18.383 5.374 -12.030 148 1HD2 LEU 22 HD21 LEU 22 18.706 5.191 -8.272 149 2HD2 LEU 22 HD22 LEU 22 17.394 4.445 -9.193 150 3HD2 LEU 22 HD23 LEU 22 19.062 4.323 -9.784 151 H ALA 23 H ALA 23 19.483 9.707 -8.734 152 HA ALA 23 HA ALA 23 16.772 10.322 -8.317 153 1HB ALA 23 HB1 ALA 23 18.477 10.642 -6.546 154 2HB ALA 23 HB2 ALA 23 19.234 11.941 -7.490 155 3HB ALA 23 HB3 ALA 23 17.597 12.141 -6.839 156 H GLU 24 H GLU 24 19.225 12.137 -10.239 157 HA GLU 24 HA GLU 24 17.567 14.415 -10.703 158 1HB GLU 24 HB2 GLU 24 19.924 14.574 -11.077 159 2HB GLU 24 HB3 GLU 24 19.927 13.222 -12.213 160 1HG GLU 24 HG2 GLU 24 18.688 14.469 -13.862 161 2HG GLU 24 HG3 GLU 24 18.407 15.801 -12.731 162 H LYS 25 H LYS 25 18.117 11.439 -12.595 163 HA LYS 25 HA LYS 25 16.317 12.119 -14.718 164 1HB LYS 25 HB2 LYS 25 17.416 9.490 -13.663 165 2HB LYS 25 HB3 LYS 25 16.372 9.588 -15.103 166 1HG LYS 25 HG2 LYS 25 17.991 11.090 -16.199 167 2HG LYS 25 HG3 LYS 25 19.043 11.018 -14.778 168 1HD LYS 25 HD2 LYS 25 19.215 8.526 -15.089 169 2HD LYS 25 HD3 LYS 25 18.308 8.674 -16.601 170 1HE LYS 25 HE2 LYS 25 20.921 10.128 -15.972 171 2HE LYS 25 HE3 LYS 25 20.847 8.590 -16.834 172 1HZ LYS 25 HZ1 LYS 25 19.514 11.044 -17.832 173 2HZ LYS 25 HZ2 LYS 25 21.006 10.571 -18.287 174 3HZ LYS 25 HZ3 LYS 25 19.739 9.627 -18.651 175 H CYS 26 H CYS 26 15.784 10.225 -11.694 176 HA CYS 26 HA CYS 26 13.029 9.682 -12.254 177 1HB CYS 26 HB2 CYS 26 14.436 9.890 -9.553 178 2HB CYS 26 HB3 CYS 26 12.837 9.181 -9.866 179 HG CYS 26 HG CYS 26 15.800 8.258 -10.958 180 H ALA 27 H ALA 27 14.607 12.453 -10.525 181 HA ALA 27 HA ALA 27 12.177 13.665 -9.737 182 1HB ALA 27 HB1 ALA 27 14.354 14.305 -8.795 183 2HB ALA 27 HB2 ALA 27 14.867 14.954 -10.373 184 3HB ALA 27 HB3 ALA 27 13.533 15.716 -9.485 185 H ALA 28 H ALA 28 14.042 13.888 -12.807 186 HA ALA 28 HA ALA 28 12.502 16.009 -13.917 187 1HB ALA 28 HB1 ALA 28 14.155 13.845 -15.295 188 2HB ALA 28 HB2 ALA 28 13.588 15.356 -16.031 189 3HB ALA 28 HB3 ALA 28 14.767 15.409 -14.706 190 H ALA 29 H ALA 29 12.220 12.468 -14.018 191 HA ALA 29 HA ALA 29 9.450 12.591 -15.037 192 1HB ALA 29 HB1 ALA 29 11.811 11.424 -16.544 193 2HB ALA 29 HB2 ALA 29 10.110 11.007 -16.894 194 3HB ALA 29 HB3 ALA 29 10.685 12.676 -17.090 195 HA PRO 30 HA PRO 30 10.168 9.474 -11.710 196 1HB PRO 30 HB2 PRO 30 7.158 9.745 -11.695 197 2HB PRO 30 HB3 PRO 30 8.280 9.588 -10.307 198 1HG PRO 30 HG2 PRO 30 7.278 12.014 -10.988 199 2HG PRO 30 HG3 PRO 30 9.009 11.850 -10.548 200 1HD PRO 30 HD2 PRO 30 7.777 12.036 -13.306 201 2HD PRO 30 HD3 PRO 30 9.251 12.822 -12.663 202 H LYS 31 H LYS 31 9.432 7.253 -11.376 203 HA LYS 31 HA LYS 31 8.235 5.928 -13.771 204 1HB LYS 31 HB2 LYS 31 10.439 4.869 -11.910 205 2HB LYS 31 HB3 LYS 31 9.606 3.931 -13.108 206 1HG LYS 31 HG2 LYS 31 11.669 6.062 -13.544 207 2HG LYS 31 HG3 LYS 31 11.568 4.400 -14.128 208 1HD LYS 31 HD2 LYS 31 9.524 5.267 -15.539 209 2HD LYS 31 HD3 LYS 31 10.234 6.864 -15.213 210 1HE LYS 31 HE2 LYS 31 12.455 5.868 -16.056 211 2HE LYS 31 HE3 LYS 31 11.515 4.478 -16.605 212 1HZ LYS 31 HZ1 LYS 31 11.205 7.287 -17.508 213 2HZ LYS 31 HZ2 LYS 31 11.748 6.039 -18.405 214 3HZ LYS 31 HZ3 LYS 31 10.181 6.080 -17.956 215 H GLY 32 H GLY 32 7.250 3.847 -13.223 216 1HA GLY 32 HA2 GLY 32 5.504 2.765 -12.186 217 2HA GLY 32 HA3 GLY 32 6.672 2.644 -10.867 218 H ASN 33 H ASN 33 6.048 3.446 -8.966 219 HA ASN 33 HA ASN 33 4.533 5.959 -8.815 220 1HB ASN 33 HB2 ASN 33 2.825 4.123 -8.595 221 2HB ASN 33 HB3 ASN 33 3.735 3.488 -7.221 222 1HD2 ASN 33 HD22 ASN 33 2.184 3.889 -5.570 223 2HD2 ASN 33 HD21 ASN 33 1.620 5.485 -5.161 224 H TRP 34 H TRP 34 7.318 5.478 -8.604 225 HA TRP 34 HA TRP 34 8.123 4.819 -5.933 226 1HB TRP 34 HB2 TRP 34 9.573 6.194 -8.229 227 2HB TRP 34 HB3 TRP 34 10.326 5.779 -6.695 228 HD1 TRP 34 HD1 TRP 34 9.222 4.234 -9.942 229 HE1 TRP 34 HE1 TRP 34 9.943 1.805 -10.097 230 HE3 TRP 34 HE3 TRP 34 10.865 3.626 -5.140 231 HZ2 TRP 34 HZ2 TRP 34 11.263 -0.087 -8.418 232 HZ3 TRP 34 HZ3 TRP 34 11.856 1.462 -4.433 233 HH2 TRP 34 HH2 TRP 34 12.051 -0.415 -6.041 234 H VAL 35 H VAL 35 8.706 6.098 -4.283 235 HA VAL 35 HA VAL 35 8.273 9.043 -4.482 236 HB VAL 35 HB VAL 35 8.476 7.248 -2.027 237 1HG1 VAL 35 HG11 VAL 35 9.303 9.517 -1.554 238 2HG1 VAL 35 HG12 VAL 35 7.866 10.231 -2.322 239 3HG1 VAL 35 HG13 VAL 35 7.710 9.306 -0.818 240 1HG2 VAL 35 HG21 VAL 35 6.073 7.783 -1.709 241 2HG2 VAL 35 HG22 VAL 35 6.053 8.603 -3.285 242 3HG2 VAL 35 HG23 VAL 35 6.351 6.853 -3.184 243 H VAL 36 H VAL 36 10.145 9.882 -5.249 244 HA VAL 36 HA VAL 36 12.683 8.547 -4.963 245 HB VAL 36 HB VAL 36 12.097 11.387 -5.905 246 1HG1 VAL 36 HG11 VAL 36 14.502 10.967 -5.522 247 2HG1 VAL 36 HG12 VAL 36 14.424 9.498 -6.517 248 3HG1 VAL 36 HG13 VAL 36 14.169 11.099 -7.248 249 1HG2 VAL 36 HG21 VAL 36 12.041 10.485 -8.193 250 2HG2 VAL 36 HG22 VAL 36 12.161 8.822 -7.556 251 3HG2 VAL 36 HG23 VAL 36 10.725 9.821 -7.243 252 H ILE 37 H ILE 37 14.271 8.888 -3.469 253 HA ILE 37 HA ILE 37 14.275 11.296 -1.769 254 HB ILE 37 HB ILE 37 14.733 8.433 -0.782 255 1HG1 ILE 37 HG12 ILE 37 12.393 10.298 -0.157 256 2HG1 ILE 37 HG13 ILE 37 12.304 8.828 -1.135 257 1HG2 ILE 37 HG21 ILE 37 14.625 11.051 0.777 258 2HG2 ILE 37 HG22 ILE 37 14.978 9.441 1.438 259 3HG2 ILE 37 HG23 ILE 37 16.117 10.194 0.349 260 1HD1 ILE 37 HD11 ILE 37 12.795 8.995 1.843 261 2HD1 ILE 37 HD12 ILE 37 11.415 8.309 0.988 262 3HD1 ILE 37 HD13 ILE 37 12.993 7.501 0.881 263 H ASP 38 H ASP 38 16.441 11.990 -1.460 264 HA ASP 38 HA ASP 38 18.631 10.413 -2.727 265 1HB ASP 38 HB2 ASP 38 18.158 12.030 -4.392 266 2HB ASP 38 HB3 ASP 38 17.961 13.321 -3.200 267 H GLY 39 H GLY 39 19.866 9.916 -1.021 268 1HA GLY 39 HA2 GLY 39 19.877 11.606 1.408 269 2HA GLY 39 HA3 GLY 39 20.547 9.983 1.211 270 H GLY 40 H GLY 40 21.634 11.691 -1.482 271 1HA GLY 40 HA2 GLY 40 23.739 12.402 -2.051 272 2HA GLY 40 HA3 GLY 40 23.835 13.192 -0.464 273 H SER 41 H SER 41 25.973 12.537 0.024 274 HA SER 41 HA SER 41 26.671 9.705 -0.175 275 1HB SER 41 HB2 SER 41 28.959 10.708 0.432 276 2HB SER 41 HB3 SER 41 28.220 11.119 -1.122 277 HG SER 41 HG SER 41 29.097 12.948 0.056 278 H ALA 42 H ALA 42 25.066 11.380 2.175 279 HA ALA 42 HA ALA 42 26.095 9.627 4.327 280 1HB ALA 42 HB1 ALA 42 27.246 11.779 4.671 281 2HB ALA 42 HB2 ALA 42 25.674 12.621 4.675 282 3HB ALA 42 HB3 ALA 42 26.063 11.442 5.952 283 HA PRO 43 HA PRO 43 21.500 9.940 3.491 284 1HB PRO 43 HB2 PRO 43 20.877 7.313 3.254 285 2HB PRO 43 HB3 PRO 43 21.607 8.245 1.923 286 1HG PRO 43 HG2 PRO 43 23.070 6.489 3.920 287 2HG PRO 43 HG3 PRO 43 23.167 6.440 2.130 288 1HD PRO 43 HD2 PRO 43 24.988 7.826 3.567 289 2HD PRO 43 HD3 PRO 43 24.333 8.515 2.051 290 H GLU 44 H GLU 44 23.406 8.370 5.941 291 HA GLU 44 HA GLU 44 21.721 7.544 7.939 292 1HB GLU 44 HB2 GLU 44 24.183 7.640 8.067 293 2HB GLU 44 HB3 GLU 44 24.147 9.385 8.001 294 1HG GLU 44 HG2 GLU 44 24.636 8.595 10.240 295 2HG GLU 44 HG3 GLU 44 23.174 9.562 10.189 296 H ASN 45 H ASN 45 22.360 10.911 6.927 297 HA ASN 45 HA ASN 45 21.008 12.165 9.108 298 1HB ASN 45 HB2 ASN 45 21.715 13.201 6.318 299 2HB ASN 45 HB3 ASN 45 21.120 14.205 7.630 300 1HD2 ASN 45 HD22 ASN 45 23.927 12.519 6.368 301 2HD2 ASN 45 HD21 ASN 45 25.051 13.120 7.574 302 H ASP 46 H ASP 46 19.758 10.622 6.260 303 HA ASP 46 HA ASP 46 17.272 12.257 6.357 304 1HB ASP 46 HB2 ASP 46 18.930 12.262 4.335 305 2HB ASP 46 HB3 ASP 46 18.223 10.686 3.967 306 H ILE 47 H ILE 47 18.321 9.265 7.298 307 HA ILE 47 HA ILE 47 16.367 7.394 6.577 308 HB ILE 47 HB ILE 47 17.878 7.929 9.152 309 1HG1 ILE 47 HG12 ILE 47 18.153 5.809 6.968 310 2HG1 ILE 47 HG13 ILE 47 19.114 7.274 7.076 311 1HG2 ILE 47 HG21 ILE 47 15.882 6.753 9.878 312 2HG2 ILE 47 HG22 ILE 47 16.053 5.556 8.585 313 3HG2 ILE 47 HG23 ILE 47 17.233 5.636 9.915 314 1HD1 ILE 47 HD11 ILE 47 19.169 4.952 9.006 315 2HD1 ILE 47 HD12 ILE 47 20.454 5.530 7.937 316 3HD1 ILE 47 HD13 ILE 47 19.951 6.525 9.318 317 H VAL 48 H VAL 48 16.073 10.097 8.908 318 HA VAL 48 HA VAL 48 13.600 9.447 10.043 319 HB VAL 48 HB VAL 48 14.645 12.230 9.355 320 1HG1 VAL 48 HG11 VAL 48 12.316 12.245 10.164 321 2HG1 VAL 48 HG12 VAL 48 12.786 11.282 11.583 322 3HG1 VAL 48 HG13 VAL 48 13.400 12.939 11.374 323 1HG2 VAL 48 HG21 VAL 48 15.290 10.466 11.759 324 2HG2 VAL 48 HG22 VAL 48 16.438 11.073 10.540 325 3HG2 VAL 48 HG23 VAL 48 15.663 12.199 11.645 326 H ALA 49 H ALA 49 14.306 11.027 6.890 327 HA ALA 49 HA ALA 49 11.623 11.887 6.415 328 1HB ALA 49 HB1 ALA 49 12.426 12.289 4.124 329 2HB ALA 49 HB2 ALA 49 13.627 12.871 5.301 330 3HB ALA 49 HB3 ALA 49 13.885 11.333 4.444 331 H ILE 50 H ILE 50 13.519 9.024 5.507 332 HA ILE 50 HA ILE 50 11.547 7.697 3.949 333 HB ILE 50 HB ILE 50 13.580 6.301 5.734 334 1HG1 ILE 50 HG12 ILE 50 14.201 7.519 3.011 335 2HG1 ILE 50 HG13 ILE 50 14.817 8.097 4.555 336 1HG2 ILE 50 HG21 ILE 50 12.505 5.636 2.969 337 2HG2 ILE 50 HG22 ILE 50 13.519 4.590 3.992 338 3HG2 ILE 50 HG23 ILE 50 11.868 4.957 4.482 339 1HD1 ILE 50 HD11 ILE 50 15.905 5.858 4.910 340 2HD1 ILE 50 HD12 ILE 50 15.496 5.475 3.218 341 3HD1 ILE 50 HD13 ILE 50 16.552 6.852 3.595 342 H ARG 51 H ARG 51 12.322 7.595 7.462 343 HA ARG 51 HA ARG 51 10.484 5.547 8.141 344 1HB ARG 51 HB2 ARG 51 11.766 7.768 9.783 345 2HB ARG 51 HB3 ARG 51 10.651 6.598 10.492 346 1HG ARG 51 HG2 ARG 51 12.082 4.729 9.814 347 2HG ARG 51 HG3 ARG 51 13.237 5.850 9.066 348 1HD ARG 51 HD2 ARG 51 13.714 6.891 11.208 349 2HD ARG 51 HD3 ARG 51 12.425 5.959 11.996 350 HE ARG 51 HE ARG 51 14.211 4.105 10.841 351 1HH1 ARG 51 HH21 ARG 51 14.250 6.526 13.451 352 2HH1 ARG 51 HH22 ARG 51 15.334 5.628 14.444 353 1HH2 ARG 51 HH11 ARG 51 15.579 2.920 12.144 354 2HH2 ARG 51 HH12 ARG 51 16.120 3.510 13.692 355 H GLU 52 H GLU 52 9.954 9.097 7.975 356 HA GLU 52 HA GLU 52 7.451 9.184 9.212 357 1HB GLU 52 HB2 GLU 52 8.588 10.752 6.865 358 2HB GLU 52 HB3 GLU 52 7.007 11.118 7.536 359 1HG GLU 52 HG2 GLU 52 9.565 11.153 9.176 360 2HG GLU 52 HG3 GLU 52 8.869 12.556 8.374 361 H LEU 53 H LEU 53 8.227 7.890 6.002 362 HA LEU 53 HA LEU 53 5.457 7.932 5.128 363 1HB LEU 53 HB2 LEU 53 7.936 6.741 3.842 364 2HB LEU 53 HB3 LEU 53 6.384 7.005 3.053 365 HG LEU 53 HG LEU 53 8.274 9.168 4.080 366 1HD1 LEU 53 HD11 LEU 53 9.136 8.059 2.114 367 2HD1 LEU 53 HD12 LEU 53 7.585 8.246 1.268 368 3HD1 LEU 53 HD13 LEU 53 8.573 9.673 1.672 369 1HD2 LEU 53 HD21 LEU 53 6.786 10.767 2.909 370 2HD2 LEU 53 HD22 LEU 53 5.618 9.456 2.620 371 3HD2 LEU 53 HD23 LEU 53 5.993 9.993 4.277 372 H ARG 54 H ARG 54 7.260 5.847 7.078 373 HA ARG 54 HA ARG 54 7.550 3.586 7.277 374 1HB ARG 54 HB2 ARG 54 4.547 3.882 7.623 375 2HB ARG 54 HB3 ARG 54 5.511 2.489 8.136 376 1HG ARG 54 HG2 ARG 54 6.906 4.048 9.570 377 2HG ARG 54 HG3 ARG 54 5.784 5.351 9.147 378 1HD ARG 54 HD2 ARG 54 5.138 4.477 11.287 379 2HD ARG 54 HD3 ARG 54 3.908 4.010 10.098 380 HE ARG 54 HE ARG 54 5.989 1.996 10.450 381 1HH1 ARG 54 HH21 ARG 54 2.936 3.211 11.833 382 2HH1 ARG 54 HH22 ARG 54 2.524 1.721 12.597 383 1HH2 ARG 54 HH11 ARG 54 5.474 0.043 11.500 384 2HH2 ARG 54 HH12 ARG 54 3.992 -0.133 12.392 385 HA PRO 55 HA PRO 55 6.332 2.904 2.833 386 1HB PRO 55 HB2 PRO 55 9.135 1.839 2.639 387 2HB PRO 55 HB3 PRO 55 8.225 2.867 1.490 388 1HG PRO 55 HG2 PRO 55 10.111 3.944 3.150 389 2HG PRO 55 HG3 PRO 55 8.574 4.801 2.813 390 1HD PRO 55 HD2 PRO 55 9.336 3.152 5.224 391 2HD PRO 55 HD3 PRO 55 8.526 4.720 5.137 392 H THR 56 H THR 56 5.941 0.960 1.573 393 HA THR 56 HA THR 56 5.798 -1.516 3.076 394 HB THR 56 HB THR 56 5.464 -1.179 0.089 395 HG1 THR 56 HG1 THR 56 3.609 -0.452 2.108 396 1HG2 THR 56 HG21 THR 56 3.674 -2.865 0.389 397 2HG2 THR 56 HG22 THR 56 5.241 -3.470 0.950 398 3HG2 THR 56 HG23 THR 56 4.026 -2.930 2.129 399 H ARG 57 H ARG 57 7.832 -0.123 0.467 400 HA ARG 57 HA ARG 57 9.897 -2.158 1.069 401 1HB ARG 57 HB2 ARG 57 8.982 -1.496 -1.743 402 2HB ARG 57 HB3 ARG 57 10.334 -2.536 -1.320 403 1HG ARG 57 HG2 ARG 57 8.771 -4.139 -0.250 404 2HG ARG 57 HG3 ARG 57 7.398 -3.146 -0.762 405 1HD ARG 57 HD2 ARG 57 9.460 -4.286 -2.702 406 2HD ARG 57 HD3 ARG 57 7.936 -5.098 -2.274 407 HE ARG 57 HE ARG 57 7.769 -2.309 -3.272 408 1HH1 ARG 57 HH21 ARG 57 7.521 -5.771 -4.210 409 2HH1 ARG 57 HH22 ARG 57 6.665 -5.342 -5.686 410 1HH2 ARG 57 HH11 ARG 57 6.599 -1.908 -5.169 411 2HH2 ARG 57 HH12 ARG 57 6.182 -3.284 -6.214 412 H LEU 58 H LEU 58 11.985 -1.565 0.232 413 HA LEU 58 HA LEU 58 12.359 1.255 -0.611 414 1HB LEU 58 HB2 LEU 58 12.571 1.376 1.791 415 2HB LEU 58 HB3 LEU 58 13.490 -0.124 1.839 416 HG LEU 58 HG LEU 58 15.432 0.948 0.847 417 1HD1 LEU 58 HD11 LEU 58 14.316 2.817 -0.450 418 2HD1 LEU 58 HD12 LEU 58 13.990 3.622 1.104 419 3HD1 LEU 58 HD13 LEU 58 15.643 3.338 0.583 420 1HD2 LEU 58 HD21 LEU 58 16.023 2.339 2.809 421 2HD2 LEU 58 HD22 LEU 58 14.310 2.477 3.234 422 3HD2 LEU 58 HD23 LEU 58 15.119 0.906 3.319 423 H LEU 59 H LEU 59 13.991 1.515 -2.021 424 HA LEU 59 HA LEU 59 15.821 -0.771 -2.569 425 1HB LEU 59 HB2 LEU 59 14.109 -0.705 -4.319 426 2HB LEU 59 HB3 LEU 59 14.358 1.030 -4.535 427 HG LEU 59 HG LEU 59 16.676 0.617 -5.334 428 1HD1 LEU 59 HD11 LEU 59 15.926 -2.330 -5.066 429 2HD1 LEU 59 HD12 LEU 59 17.338 -1.711 -5.945 430 3HD1 LEU 59 HD13 LEU 59 17.233 -1.481 -4.204 431 1HD2 LEU 59 HD21 LEU 59 16.056 -0.323 -7.510 432 2HD2 LEU 59 HD22 LEU 59 14.552 -0.977 -6.822 433 3HD2 LEU 59 HD23 LEU 59 14.800 0.775 -6.921 434 H ILE 60 H ILE 60 17.816 -0.063 -1.993 435 HA ILE 60 HA ILE 60 18.472 2.817 -2.135 436 HB ILE 60 HB ILE 60 20.504 0.731 -1.513 437 1HG1 ILE 60 HG12 ILE 60 18.791 -0.106 -0.046 438 2HG1 ILE 60 HG13 ILE 60 20.078 0.638 0.866 439 1HG2 ILE 60 HG21 ILE 60 21.271 3.012 -1.613 440 2HG2 ILE 60 HG22 ILE 60 19.986 3.559 -0.521 441 3HG2 ILE 60 HG23 ILE 60 21.297 2.531 0.086 442 1HD1 ILE 60 HD11 ILE 60 17.832 1.144 1.762 443 2HD1 ILE 60 HD12 ILE 60 18.716 2.607 1.310 444 3HD1 ILE 60 HD13 ILE 60 17.433 1.995 0.252 445 H VAL 61 H VAL 61 20.116 3.598 -3.646 446 HA VAL 61 HA VAL 61 21.360 1.593 -5.416 447 HB VAL 61 HB VAL 61 20.027 4.088 -6.536 448 1HG1 VAL 61 HG11 VAL 61 21.472 1.734 -7.830 449 2HG1 VAL 61 HG12 VAL 61 20.539 2.936 -8.739 450 3HG1 VAL 61 HG13 VAL 61 21.971 3.438 -7.844 451 1HG2 VAL 61 HG21 VAL 61 19.075 1.207 -6.710 452 2HG2 VAL 61 HG22 VAL 61 18.225 2.568 -5.956 453 3HG2 VAL 61 HG23 VAL 61 18.455 2.534 -7.705 454 H ASP 62 H ASP 62 23.447 2.011 -5.785 455 HA ASP 62 HA ASP 62 24.598 4.609 -6.046 456 1HB ASP 62 HB2 ASP 62 24.585 4.406 -3.552 457 2HB ASP 62 HB3 ASP 62 25.603 2.975 -3.705 458 H ALA 63 H ALA 63 27.152 4.108 -6.374 459 HA ALA 63 HA ALA 63 27.486 1.761 -8.081 460 1HB ALA 63 HB1 ALA 63 29.806 2.602 -8.297 461 2HB ALA 63 HB2 ALA 63 28.631 3.882 -8.632 462 3HB ALA 63 HB3 ALA 63 29.479 3.840 -7.066 463 H THR 64 H THR 64 29.140 0.101 -7.600 464 HA THR 64 HA THR 64 30.023 -0.234 -4.808 465 HB THR 64 HB THR 64 28.422 -2.416 -6.217 466 HG1 THR 64 HG1 THR 64 27.484 -0.437 -4.464 467 1HG2 THR 64 HG21 THR 64 29.900 -3.194 -4.431 468 2HG2 THR 64 HG22 THR 64 29.241 -1.981 -3.313 469 3HG2 THR 64 HG23 THR 64 28.217 -3.308 -3.899 470 H ASP 65 H ASP 65 32.140 -1.067 -4.961 471 HA ASP 65 HA ASP 65 33.088 -1.955 -7.585 472 1HB ASP 65 HB2 ASP 65 34.571 -0.572 -6.275 473 2HB ASP 65 HB3 ASP 65 34.583 -1.766 -4.962 474 H MET 66 H MET 66 31.753 -3.704 -7.903 475 HA MET 66 HA MET 66 31.652 -5.998 -6.124 476 1HB MET 66 HB2 MET 66 30.624 -5.458 -8.963 477 2HB MET 66 HB3 MET 66 30.277 -6.921 -8.023 478 1HG MET 66 HG2 MET 66 29.296 -5.533 -6.219 479 2HG MET 66 HG3 MET 66 29.564 -4.086 -7.171 480 1HE MET 66 HE1 MET 66 28.032 -3.137 -8.886 481 2HE MET 66 HE2 MET 66 28.649 -4.371 -10.008 482 3HE MET 66 HE3 MET 66 26.899 -4.084 -9.881 483 H GLY 67 H GLY 67 34.006 -4.917 -8.328 484 1HA GLY 67 HA2 GLY 67 35.880 -5.921 -9.190 485 2HA GLY 67 HA3 GLY 67 35.441 -7.450 -8.406 486 H LEU 68 H LEU 68 33.095 -5.784 -10.423 487 HA LEU 68 HA LEU 68 33.147 -8.003 -12.413 488 1HB LEU 68 HB2 LEU 68 31.080 -5.872 -11.720 489 2HB LEU 68 HB3 LEU 68 30.888 -7.027 -13.031 490 HG LEU 68 HG LEU 68 31.173 -7.810 -10.120 491 1HD1 LEU 68 HD11 LEU 68 28.714 -7.688 -11.910 492 2HD1 LEU 68 HD12 LEU 68 28.762 -8.321 -10.249 493 3HD1 LEU 68 HD13 LEU 68 29.066 -6.606 -10.553 494 1HD2 LEU 68 HD21 LEU 68 30.488 -9.466 -12.590 495 2HD2 LEU 68 HD22 LEU 68 31.931 -9.632 -11.562 496 3HD2 LEU 68 HD23 LEU 68 30.345 -10.029 -10.908 497 H ASN 69 H ASN 69 32.050 -6.817 -14.541 498 HA ASN 69 HA ASN 69 34.175 -5.124 -15.692 499 1HB ASN 69 HB2 ASN 69 32.987 -6.904 -17.022 500 2HB ASN 69 HB3 ASN 69 31.488 -5.990 -16.865 501 1HD2 ASN 69 HD22 ASN 69 31.414 -3.734 -17.945 502 2HD2 ASN 69 HD21 ASN 69 32.464 -3.512 -19.313 503 HA PRO 70 HA PRO 70 32.219 -1.204 -14.466 504 1HB PRO 70 HB2 PRO 70 32.875 -0.563 -17.353 505 2HB PRO 70 HB3 PRO 70 32.966 0.506 -15.919 506 1HG PRO 70 HG2 PRO 70 35.209 -0.704 -16.799 507 2HG PRO 70 HG3 PRO 70 34.843 -0.741 -15.043 508 1HD PRO 70 HD2 PRO 70 34.422 -2.922 -17.088 509 2HD PRO 70 HD3 PRO 70 35.026 -3.045 -15.408 510 H GLY 71 H GLY 71 30.148 -0.475 -14.456 511 1HA GLY 71 HA2 GLY 71 28.039 0.017 -15.179 512 2HA GLY 71 HA3 GLY 71 28.465 -0.512 -16.811 513 H GLU 72 H GLU 72 29.217 -3.132 -14.745 514 HA GLU 72 HA GLU 72 26.798 -4.605 -15.369 515 1HB GLU 72 HB2 GLU 72 29.198 -5.083 -13.556 516 2HB GLU 72 HB3 GLU 72 27.802 -6.148 -13.518 517 1HG GLU 72 HG2 GLU 72 29.338 -5.551 -16.076 518 2HG GLU 72 HG3 GLU 72 29.695 -6.914 -15.015 519 H ILE 73 H ILE 73 25.150 -5.122 -13.936 520 HA ILE 73 HA ILE 73 24.774 -3.317 -11.599 521 HB ILE 73 HB ILE 73 22.776 -4.288 -13.698 522 1HG1 ILE 73 HG12 ILE 73 23.561 -1.392 -13.224 523 2HG1 ILE 73 HG13 ILE 73 24.417 -2.387 -14.388 524 1HG2 ILE 73 HG21 ILE 73 21.648 -4.094 -11.569 525 2HG2 ILE 73 HG22 ILE 73 22.478 -2.569 -11.215 526 3HG2 ILE 73 HG23 ILE 73 21.226 -2.651 -12.477 527 1HD1 ILE 73 HD11 ILE 73 22.712 -1.070 -15.508 528 2HD1 ILE 73 HD12 ILE 73 22.374 -2.801 -15.655 529 3HD1 ILE 73 HD13 ILE 73 21.442 -1.802 -14.521 530 H ARG 74 H ARG 74 23.918 -4.365 -9.727 531 HA ARG 74 HA ARG 74 22.918 -7.136 -10.026 532 1HB ARG 74 HB2 ARG 74 25.168 -6.361 -8.135 533 2HB ARG 74 HB3 ARG 74 24.300 -7.885 -8.092 534 1HG ARG 74 HG2 ARG 74 25.980 -6.976 -10.450 535 2HG ARG 74 HG3 ARG 74 26.537 -8.031 -9.150 536 1HD ARG 74 HD2 ARG 74 24.771 -9.672 -9.689 537 2HD ARG 74 HD3 ARG 74 24.224 -8.660 -11.030 538 HE ARG 74 HE ARG 74 26.699 -10.253 -10.797 539 1HH1 ARG 74 HH21 ARG 74 24.986 -7.762 -12.762 540 2HH1 ARG 74 HH22 ARG 74 26.036 -8.066 -14.149 541 1HH2 ARG 74 HH11 ARG 74 27.952 -10.562 -12.754 542 2HH2 ARG 74 HH12 ARG 74 27.634 -9.515 -14.130 543 H ILE 75 H ILE 75 21.665 -7.839 -8.275 544 HA ILE 75 HA ILE 75 20.652 -5.811 -6.363 545 HB ILE 75 HB ILE 75 20.037 -8.776 -6.802 546 1HG1 ILE 75 HG12 ILE 75 19.240 -7.535 -8.685 547 2HG1 ILE 75 HG13 ILE 75 17.888 -8.067 -7.711 548 1HG2 ILE 75 HG21 ILE 75 18.658 -6.800 -4.958 549 2HG2 ILE 75 HG22 ILE 75 18.023 -8.407 -5.397 550 3HG2 ILE 75 HG23 ILE 75 19.533 -8.270 -4.492 551 1HD1 ILE 75 HD11 ILE 75 19.003 -5.237 -7.749 552 2HD1 ILE 75 HD12 ILE 75 17.524 -5.800 -8.546 553 3HD1 ILE 75 HD13 ILE 75 17.610 -5.785 -6.775 554 H ILE 76 H ILE 76 21.232 -5.896 -4.142 555 HA ILE 76 HA ILE 76 23.123 -7.990 -3.262 556 HB ILE 76 HB ILE 76 23.702 -5.198 -2.362 557 1HG1 ILE 76 HG12 ILE 76 24.742 -6.223 -5.036 558 2HG1 ILE 76 HG13 ILE 76 23.643 -4.856 -4.802 559 1HG2 ILE 76 HG21 ILE 76 25.992 -6.127 -2.108 560 2HG2 ILE 76 HG22 ILE 76 24.863 -7.269 -1.421 561 3HG2 ILE 76 HG23 ILE 76 25.518 -7.572 -3.026 562 1HD1 ILE 76 HD11 ILE 76 26.532 -4.962 -3.876 563 2HD1 ILE 76 HD12 ILE 76 25.861 -4.030 -5.203 564 3HD1 ILE 76 HD13 ILE 76 25.385 -3.637 -3.537 565 H ASP 77 H ASP 77 23.310 -7.883 -0.794 566 HA ASP 77 HA ASP 77 20.675 -7.362 0.486 567 1HB ASP 77 HB2 ASP 77 20.760 -9.674 -0.359 568 2HB ASP 77 HB3 ASP 77 22.355 -9.910 0.354 569 HA PRO 78 HA PRO 78 23.276 -5.556 3.526 570 1HB PRO 78 HB2 PRO 78 22.077 -6.265 5.963 571 2HB PRO 78 HB3 PRO 78 21.590 -4.927 4.882 572 1HG PRO 78 HG2 PRO 78 20.491 -7.750 4.980 573 2HG PRO 78 HG3 PRO 78 19.574 -6.213 4.922 574 1HD PRO 78 HD2 PRO 78 19.931 -7.594 2.674 575 2HD PRO 78 HD3 PRO 78 20.225 -5.837 2.634 576 H ASP 79 H ASP 79 22.851 -9.056 3.806 577 HA ASP 79 HA ASP 79 24.922 -9.490 5.770 578 1HB ASP 79 HB2 ASP 79 23.194 -11.161 5.206 579 2HB ASP 79 HB3 ASP 79 23.852 -11.296 3.569 580 H ASP 80 H ASP 80 25.000 -8.650 2.389 581 HA ASP 80 HA ASP 80 27.859 -9.493 2.124 582 1HB ASP 80 HB2 ASP 80 26.234 -10.809 0.809 583 2HB ASP 80 HB3 ASP 80 25.663 -9.327 0.038 584 H ILE 81 H ILE 81 25.520 -6.903 1.533 585 HA ILE 81 HA ILE 81 27.084 -4.967 0.208 586 HB ILE 81 HB ILE 81 25.015 -4.792 2.421 587 1HG1 ILE 81 HG12 ILE 81 24.797 -4.053 -0.533 588 2HG1 ILE 81 HG13 ILE 81 24.414 -5.645 0.098 589 1HG2 ILE 81 HG21 ILE 81 26.375 -2.666 2.504 590 2HG2 ILE 81 HG22 ILE 81 25.912 -2.372 0.818 591 3HG2 ILE 81 HG23 ILE 81 24.685 -2.426 2.083 592 1HD1 ILE 81 HD11 ILE 81 22.342 -4.584 -0.024 593 2HD1 ILE 81 HD12 ILE 81 22.755 -4.502 1.685 594 3HD1 ILE 81 HD13 ILE 81 22.970 -3.066 0.670 595 H ALA 82 H ALA 82 27.080 -5.969 3.596 596 HA ALA 82 HA ALA 82 28.624 -3.961 4.724 597 1HB ALA 82 HB1 ALA 82 27.394 -5.714 5.988 598 2HB ALA 82 HB2 ALA 82 28.566 -6.930 5.413 599 3HB ALA 82 HB3 ALA 82 29.093 -5.629 6.502 600 H GLU 83 H GLU 83 29.721 -6.646 2.721 601 HA GLU 83 HA GLU 83 32.577 -5.981 3.315 602 1HB GLU 83 HB2 GLU 83 31.341 -8.315 1.792 603 2HB GLU 83 HB3 GLU 83 33.062 -8.062 2.060 604 1HG GLU 83 HG2 GLU 83 30.951 -8.607 4.194 605 2HG GLU 83 HG3 GLU 83 32.152 -9.742 3.595 606 H MET 84 H MET 84 30.150 -6.305 0.729 607 HA MET 84 HA MET 84 32.003 -5.794 -1.365 608 1HB MET 84 HB2 MET 84 28.949 -5.756 -1.281 609 2HB MET 84 HB3 MET 84 29.862 -5.440 -2.760 610 1HG MET 84 HG2 MET 84 30.188 -7.949 -1.073 611 2HG MET 84 HG3 MET 84 29.161 -7.808 -2.490 612 1HE MET 84 HE1 MET 84 30.183 -9.847 -3.673 613 2HE MET 84 HE2 MET 84 31.928 -10.118 -3.889 614 3HE MET 84 HE3 MET 84 31.221 -10.126 -2.258 615 H PHE 85 H PHE 85 30.061 -3.501 0.525 616 HA PHE 85 HA PHE 85 30.555 -1.355 -1.357 617 1HB PHE 85 HB2 PHE 85 29.230 -1.601 1.281 618 2HB PHE 85 HB3 PHE 85 30.113 -0.094 1.060 619 HD1 PHE 85 HD1 PHE 85 29.344 1.599 -0.378 620 HD2 PHE 85 HD2 PHE 85 27.638 -2.355 -0.640 621 HE1 PHE 85 HE1 PHE 85 27.850 2.369 -2.209 622 HE2 PHE 85 HE2 PHE 85 26.103 -1.557 -2.430 623 HZ PHE 85 HZ PHE 85 26.272 0.783 -3.253 624 H MET 86 H MET 86 32.248 -2.402 1.628 625 HA MET 86 HA MET 86 34.179 -0.235 1.194 626 1HB MET 86 HB2 MET 86 35.205 -0.812 3.228 627 2HB MET 86 HB3 MET 86 33.466 -0.683 3.452 628 1HG MET 86 HG2 MET 86 33.264 -3.166 3.408 629 2HG MET 86 HG3 MET 86 35.011 -3.300 3.173 630 1HE MET 86 HE1 MET 86 33.544 -4.919 5.415 631 2HE MET 86 HE2 MET 86 35.306 -4.939 5.168 632 3HE MET 86 HE3 MET 86 34.637 -4.665 6.793 633 H MET 87 H MET 87 33.806 -2.994 -0.486 634 HA MET 87 HA MET 87 36.480 -3.980 -0.706 635 1HB MET 87 HB2 MET 87 34.405 -5.023 -1.690 636 2HB MET 87 HB3 MET 87 34.345 -3.699 -2.863 637 1HG MET 87 HG2 MET 87 35.320 -5.674 -3.861 638 2HG MET 87 HG3 MET 87 36.519 -4.389 -3.777 639 1HE MET 87 HE1 MET 87 37.203 -7.410 -4.446 640 2HE MET 87 HE2 MET 87 38.423 -6.118 -4.343 641 3HE MET 87 HE3 MET 87 38.671 -7.648 -3.472 642 H THR 88 H THR 88 34.874 -1.034 -1.765 643 HA THR 88 HA THR 88 36.770 0.080 -3.557 644 HB THR 88 HB THR 88 35.739 2.226 -2.722 645 HG1 THR 88 HG1 THR 88 33.946 0.747 -1.144 646 1HG2 THR 88 HG21 THR 88 33.416 1.794 -3.395 647 2HG2 THR 88 HG22 THR 88 34.568 1.040 -4.508 648 3HG2 THR 88 HG23 THR 88 33.696 0.039 -3.325 649 H THR 89 H THR 89 37.107 -0.676 -0.190 650 HA THR 89 HA THR 89 38.350 -0.044 1.508 651 HB THR 89 HB THR 89 40.440 1.022 -0.418 652 HG1 THR 89 HG1 THR 89 39.611 -1.027 -1.105 653 1HG2 THR 89 HG21 THR 89 40.644 -0.517 2.220 654 2HG2 THR 89 HG22 THR 89 42.013 -0.023 1.198 655 3HG2 THR 89 HG23 THR 89 41.020 1.201 1.990 656 H HIS 90 H HIS 90 36.273 1.744 0.563 657 HA HIS 90 HA HIS 90 37.202 4.321 1.695 658 1HB HIS 90 HB2 HIS 90 37.791 4.370 -0.695 659 2HB HIS 90 HB3 HIS 90 36.145 3.905 -1.124 660 HD1 HIS 90 HD1 HIS 90 34.371 5.879 -1.269 661 HD2 HIS 90 HD2 HIS 90 38.093 6.916 0.423 662 HE1 HIS 90 HE1 HIS 90 34.347 8.413 -0.961 663 H ASN 91 H ASN 91 34.408 2.861 -0.130 664 HA ASN 91 HA ASN 91 32.595 4.756 1.031 665 1HB ASN 91 HB2 ASN 91 32.142 2.251 -0.643 666 2HB ASN 91 HB3 ASN 91 30.830 3.213 0.021 667 1HD2 ASN 91 HD22 ASN 91 29.978 4.000 -1.977 668 2HD2 ASN 91 HD21 ASN 91 30.863 5.158 -2.945 669 H MET 92 H MET 92 30.902 4.443 2.501 670 HA MET 92 HA MET 92 31.572 2.823 4.761 671 1HB MET 92 HB2 MET 92 29.051 4.387 4.061 672 2HB MET 92 HB3 MET 92 29.345 3.615 5.626 673 1HG MET 92 HG2 MET 92 31.357 4.975 5.965 674 2HG MET 92 HG3 MET 92 31.103 5.788 4.422 675 1HE MET 92 HE1 MET 92 29.431 7.721 3.988 676 2HE MET 92 HE2 MET 92 28.120 6.534 4.164 677 3HE MET 92 HE3 MET 92 28.040 8.081 5.031 678 HA PRO 93 HA PRO 93 29.328 -0.880 3.561 679 1HB PRO 93 HB2 PRO 93 29.116 -2.178 5.951 680 2HB PRO 93 HB3 PRO 93 30.683 -1.917 5.131 681 1HG PRO 93 HG2 PRO 93 29.461 -0.265 7.363 682 2HG PRO 93 HG3 PRO 93 31.118 -0.944 7.264 683 1HD PRO 93 HD2 PRO 93 30.543 1.630 6.546 684 2HD PRO 93 HD3 PRO 93 31.789 0.668 5.695 685 H LEU 94 H LEU 94 27.522 0.495 2.927 686 HA LEU 94 HA LEU 94 25.654 1.712 4.430 687 1HB LEU 94 HB2 LEU 94 25.604 0.560 1.659 688 2HB LEU 94 HB3 LEU 94 24.100 1.215 2.295 689 HG LEU 94 HG LEU 94 26.678 2.819 2.354 690 1HD1 LEU 94 HD11 LEU 94 26.040 2.150 0.001 691 2HD1 LEU 94 HD12 LEU 94 24.520 3.038 0.217 692 3HD1 LEU 94 HD13 LEU 94 26.076 3.890 0.304 693 1HD2 LEU 94 HD21 LEU 94 24.801 3.609 3.839 694 2HD2 LEU 94 HD22 LEU 94 25.168 4.750 2.542 695 3HD2 LEU 94 HD23 LEU 94 23.745 3.692 2.428 696 H ASN 95 H ASN 95 25.780 -1.652 4.578 697 HA ASN 95 HA ASN 95 23.076 -2.308 5.110 698 1HB ASN 95 HB2 ASN 95 23.805 -4.232 6.047 699 2HB ASN 95 HB3 ASN 95 25.235 -3.852 5.099 700 1HD2 ASN 95 HD22 ASN 95 26.807 -2.162 6.692 701 2HD2 ASN 95 HD21 ASN 95 27.062 -2.919 8.234 702 H TYR 96 H TYR 96 25.326 -0.282 6.963 703 HA TYR 96 HA TYR 96 24.039 -0.374 9.473 704 1HB TYR 96 HB2 TYR 96 25.215 1.577 10.014 705 2HB TYR 96 HB3 TYR 96 26.266 0.729 8.900 706 HD1 TYR 96 HD1 TYR 96 23.882 3.580 9.275 707 HD2 TYR 96 HD2 TYR 96 26.968 1.834 6.823 708 HE1 TYR 96 HE1 TYR 96 23.801 5.535 7.797 709 HE2 TYR 96 HE2 TYR 96 26.947 3.841 5.373 710 HH TYR 96 HH TYR 96 25.955 5.919 4.954 711 H LEU 97 H LEU 97 23.101 1.312 6.473 712 HA LEU 97 HA LEU 97 21.041 2.914 7.812 713 1HB LEU 97 HB2 LEU 97 22.169 3.792 5.865 714 2HB LEU 97 HB3 LEU 97 21.695 2.420 4.870 715 HG LEU 97 HG LEU 97 19.452 3.902 6.226 716 1HD1 LEU 97 HD11 LEU 97 20.942 5.745 5.501 717 2HD1 LEU 97 HD12 LEU 97 20.945 5.072 3.854 718 3HD1 LEU 97 HD13 LEU 97 19.439 5.698 4.575 719 1HD2 LEU 97 HD21 LEU 97 18.940 2.039 4.655 720 2HD2 LEU 97 HD22 LEU 97 18.349 3.575 4.029 721 3HD2 LEU 97 HD23 LEU 97 19.844 2.870 3.378 722 H ILE 98 H ILE 98 21.228 -0.020 5.738 723 HA ILE 98 HA ILE 98 18.454 -0.453 5.515 724 HB ILE 98 HB ILE 98 20.794 -2.403 5.525 725 1HG1 ILE 98 HG12 ILE 98 19.216 -1.112 3.244 726 2HG1 ILE 98 HG13 ILE 98 20.826 -0.631 3.768 727 1HG2 ILE 98 HG21 ILE 98 17.882 -2.907 4.809 728 2HG2 ILE 98 HG22 ILE 98 19.201 -3.980 4.319 729 3HG2 ILE 98 HG23 ILE 98 18.862 -3.739 6.021 730 1HD1 ILE 98 HD11 ILE 98 20.091 -3.266 2.454 731 2HD1 ILE 98 HD12 ILE 98 21.085 -1.956 1.827 732 3HD1 ILE 98 HD13 ILE 98 21.678 -2.910 3.197 733 H ASP 99 H ASP 99 20.754 -1.530 8.064 734 HA ASP 99 HA ASP 99 18.945 -3.056 9.563 735 1HB ASP 99 HB2 ASP 99 21.369 -3.050 9.924 736 2HB ASP 99 HB3 ASP 99 21.319 -1.363 10.444 737 H GLN 100 H GLN 100 19.069 0.429 9.258 738 HA GLN 100 HA GLN 100 17.516 0.880 11.734 739 1HB GLN 100 HB2 GLN 100 18.727 2.748 9.661 740 2HB GLN 100 HB3 GLN 100 17.753 3.299 11.020 741 1HG GLN 100 HG2 GLN 100 19.345 2.368 12.626 742 2HG GLN 100 HG3 GLN 100 20.322 1.690 11.325 743 1HE2 GLN 100 HE22 GLN 100 21.769 3.028 10.212 744 2HE2 GLN 100 HE21 GLN 100 21.954 4.770 10.518 745 H LEU 101 H LEU 101 16.754 -0.031 8.562 746 HA LEU 101 HA LEU 101 14.031 1.210 8.800 747 1HB LEU 101 HB2 LEU 101 15.742 0.700 6.326 748 2HB LEU 101 HB3 LEU 101 14.009 0.849 6.263 749 HG LEU 101 HG LEU 101 14.763 2.902 5.581 750 1HD1 LEU 101 HD11 LEU 101 14.162 3.414 8.512 751 2HD1 LEU 101 HD12 LEU 101 13.951 4.528 7.155 752 3HD1 LEU 101 HD13 LEU 101 12.937 3.079 7.267 753 1HD2 LEU 101 HD21 LEU 101 16.624 3.162 7.961 754 2HD2 LEU 101 HD22 LEU 101 17.099 2.745 6.305 755 3HD2 LEU 101 HD23 LEU 101 16.387 4.329 6.641 756 H LYS 102 H LYS 102 15.894 -1.708 8.052 757 HA LYS 102 HA LYS 102 13.823 -3.261 7.005 758 1HB LYS 102 HB2 LYS 102 15.247 -5.119 7.306 759 2HB LYS 102 HB3 LYS 102 16.321 -3.743 7.049 760 1HG LYS 102 HG2 LYS 102 16.681 -3.614 9.537 761 2HG LYS 102 HG3 LYS 102 15.700 -5.076 9.719 762 1HD LYS 102 HD2 LYS 102 17.275 -6.305 8.188 763 2HD LYS 102 HD3 LYS 102 18.246 -4.841 8.054 764 1HE LYS 102 HE2 LYS 102 19.368 -6.202 9.616 765 2HE LYS 102 HE3 LYS 102 18.620 -4.906 10.548 766 1HZ LYS 102 HZ1 LYS 102 18.315 -7.054 11.598 767 2HZ LYS 102 HZ2 LYS 102 16.857 -6.470 11.174 768 3HZ LYS 102 HZ3 LYS 102 17.554 -7.665 10.296 769 H GLU 103 H GLU 103 14.229 -2.270 10.291 770 HA GLU 103 HA GLU 103 12.817 -4.382 11.577 771 1HB GLU 103 HB2 GLU 103 13.356 -1.494 12.369 772 2HB GLU 103 HB3 GLU 103 12.670 -2.721 13.449 773 1HG GLU 103 HG2 GLU 103 14.723 -4.122 13.083 774 2HG GLU 103 HG3 GLU 103 15.433 -2.787 12.174 775 H ASP 104 H ASP 104 11.657 -1.786 9.539 776 HA ASP 104 HA ASP 104 8.868 -2.376 10.426 777 1HB ASP 104 HB2 ASP 104 9.662 -0.314 11.577 778 2HB ASP 104 HB3 ASP 104 9.958 0.425 9.999 779 H ILE 105 H ILE 105 11.037 -1.206 7.814 780 HA ILE 105 HA ILE 105 8.891 -1.071 5.862 781 HB ILE 105 HB ILE 105 11.925 -1.193 5.576 782 1HG1 ILE 105 HG12 ILE 105 9.863 1.042 5.583 783 2HG1 ILE 105 HG13 ILE 105 11.267 0.856 6.630 784 1HG2 ILE 105 HG21 ILE 105 11.578 -0.582 3.214 785 2HG2 ILE 105 HG22 ILE 105 10.856 -2.119 3.574 786 3HG2 ILE 105 HG23 ILE 105 9.815 -0.680 3.432 787 1HD1 ILE 105 HD11 ILE 105 12.710 1.196 4.530 788 2HD1 ILE 105 HD12 ILE 105 11.219 1.712 3.723 789 3HD1 ILE 105 HD13 ILE 105 11.808 2.604 5.130 790 H GLY 106 H GLY 106 8.250 -2.674 4.493 791 1HA GLY 106 HA2 GLY 106 8.248 -5.323 5.523 792 2HA GLY 106 HA3 GLY 106 7.584 -4.781 3.972 793 H GLU 107 H GLU 107 10.044 -3.836 2.734 794 HA GLU 107 HA GLU 107 11.954 -6.062 2.888 795 1HB GLU 107 HB2 GLU 107 10.093 -6.538 1.108 796 2HB GLU 107 HB3 GLU 107 10.770 -5.156 0.230 797 1HG GLU 107 HG2 GLU 107 11.699 -7.177 -0.681 798 2HG GLU 107 HG3 GLU 107 12.973 -6.312 0.168 799 H VAL 108 H VAL 108 14.054 -5.296 2.478 800 HA VAL 108 HA VAL 108 14.321 -2.576 1.323 801 HB VAL 108 HB VAL 108 15.832 -3.609 3.747 802 1HG1 VAL 108 HG11 VAL 108 17.223 -2.142 2.392 803 2HG1 VAL 108 HG12 VAL 108 15.900 -0.988 2.184 804 3HG1 VAL 108 HG13 VAL 108 16.656 -1.194 3.778 805 1HG2 VAL 108 HG21 VAL 108 13.569 -3.045 4.436 806 2HG2 VAL 108 HG22 VAL 108 14.713 -1.833 5.024 807 3HG2 VAL 108 HG23 VAL 108 13.689 -1.472 3.620 808 H ILE 109 H ILE 109 15.610 -2.644 -0.392 809 HA ILE 109 HA ILE 109 17.404 -4.989 -0.860 810 HB ILE 109 HB ILE 109 15.479 -3.528 -2.726 811 1HG1 ILE 109 HG12 ILE 109 15.259 -6.477 -2.035 812 2HG1 ILE 109 HG13 ILE 109 14.552 -5.277 -0.964 813 1HG2 ILE 109 HG21 ILE 109 17.387 -4.290 -4.046 814 2HG2 ILE 109 HG22 ILE 109 17.321 -5.895 -3.279 815 3HG2 ILE 109 HG23 ILE 109 16.041 -5.362 -4.381 816 1HD1 ILE 109 HD11 ILE 109 13.167 -4.355 -2.673 817 2HD1 ILE 109 HD12 ILE 109 13.870 -5.446 -3.898 818 3HD1 ILE 109 HD13 ILE 109 12.896 -6.103 -2.561 819 H PHE 110 H PHE 110 19.208 -4.473 -2.320 820 HA PHE 110 HA PHE 110 19.760 -1.569 -2.680 821 1HB PHE 110 HB2 PHE 110 21.045 -2.834 -0.799 822 2HB PHE 110 HB3 PHE 110 21.903 -3.636 -2.115 823 HD1 PHE 110 HD1 PHE 110 21.951 -0.914 0.127 824 HD2 PHE 110 HD2 PHE 110 22.998 -1.946 -3.921 825 HE1 PHE 110 HE1 PHE 110 23.270 1.153 -0.058 826 HE2 PHE 110 HE2 PHE 110 24.189 0.206 -4.158 827 HZ PHE 110 HZ PHE 110 24.305 1.782 -2.224 828 H LEU 111 H LEU 111 20.572 -1.108 -4.747 829 HA LEU 111 HA LEU 111 21.250 -3.396 -6.515 830 1HB LEU 111 HB2 LEU 111 19.128 -2.493 -7.195 831 2HB LEU 111 HB3 LEU 111 19.756 -0.839 -7.185 832 HG LEU 111 HG LEU 111 21.127 -2.888 -8.918 833 1HD1 LEU 111 HD11 LEU 111 18.500 -1.521 -9.657 834 2HD1 LEU 111 HD12 LEU 111 19.525 -2.467 -10.760 835 3HD1 LEU 111 HD13 LEU 111 18.743 -3.262 -9.395 836 1HD2 LEU 111 HD21 LEU 111 22.079 -0.608 -8.884 837 2HD2 LEU 111 HD22 LEU 111 21.347 -0.908 -10.442 838 3HD2 LEU 111 HD23 LEU 111 20.486 0.081 -9.259 839 H GLY 112 H GLY 112 23.320 -3.275 -7.152 840 1HA GLY 112 HA2 GLY 112 24.855 -0.760 -6.639 841 2HA GLY 112 HA3 GLY 112 25.508 -2.385 -6.508 842 H ILE 113 H ILE 113 26.511 -0.274 -8.163 843 HA ILE 113 HA ILE 113 26.265 -1.476 -10.878 844 HB ILE 113 HB ILE 113 26.319 1.473 -10.101 845 1HG1 ILE 113 HG12 ILE 113 24.143 0.105 -11.723 846 2HG1 ILE 113 HG13 ILE 113 24.057 0.175 -9.968 847 1HG2 ILE 113 HG21 ILE 113 26.172 1.931 -12.559 848 2HG2 ILE 113 HG22 ILE 113 27.672 1.133 -12.117 849 3HG2 ILE 113 HG23 ILE 113 26.373 0.190 -12.871 850 1HD1 ILE 113 HD11 ILE 113 24.183 2.611 -9.998 851 2HD1 ILE 113 HD12 ILE 113 24.172 2.592 -11.783 852 3HD1 ILE 113 HD13 ILE 113 22.775 1.991 -10.874 853 H GLN 114 H GLN 114 28.313 -2.090 -11.570 854 HA GLN 114 HA GLN 114 30.604 -1.713 -9.945 855 1HB GLN 114 HB2 GLN 114 30.342 -3.618 -11.415 856 2HB GLN 114 HB3 GLN 114 30.299 -2.573 -12.833 857 1HG GLN 114 HG2 GLN 114 32.470 -3.631 -12.625 858 2HG GLN 114 HG3 GLN 114 32.650 -1.906 -12.452 859 1HE2 GLN 114 HE22 GLN 114 34.176 -1.432 -10.881 860 2HE2 GLN 114 HE21 GLN 114 34.495 -2.430 -9.451 861 HA PRO 115 HA PRO 115 31.780 2.360 -11.740 862 1HB PRO 115 HB2 PRO 115 33.680 3.077 -9.960 863 2HB PRO 115 HB3 PRO 115 31.946 3.095 -9.518 864 1HG PRO 115 HG2 PRO 115 33.976 0.904 -8.963 865 2HG PRO 115 HG3 PRO 115 32.848 1.687 -7.806 866 1HD PRO 115 HD2 PRO 115 32.265 -0.666 -9.065 867 2HD PRO 115 HD3 PRO 115 31.007 0.537 -8.676 868 H ASP 116 H ASP 116 33.901 3.230 -12.513 869 HA ASP 116 HA ASP 116 36.029 1.190 -12.972 870 1HB ASP 116 HB2 ASP 116 34.738 1.591 -15.046 871 2HB ASP 116 HB3 ASP 116 35.046 3.319 -14.908 872 H ILE 117 H ILE 117 35.105 4.625 -12.404 873 HA ILE 117 HA ILE 117 37.818 5.057 -11.296 874 HB ILE 117 HB ILE 117 38.207 7.057 -12.350 875 1HG1 ILE 117 HG12 ILE 117 36.398 8.020 -14.061 876 2HG1 ILE 117 HG13 ILE 117 35.266 7.230 -12.965 877 1HG2 ILE 117 HG21 ILE 117 36.888 5.487 -14.595 878 2HG2 ILE 117 HG22 ILE 117 38.156 6.711 -14.741 879 3HG2 ILE 117 HG23 ILE 117 38.513 5.180 -13.931 880 1HD1 ILE 117 HD11 ILE 117 36.378 8.574 -11.082 881 2HD1 ILE 117 HD12 ILE 117 37.363 9.350 -12.333 882 3HD1 ILE 117 HD13 ILE 117 35.598 9.549 -12.339 883 H VAL 118 H VAL 118 37.803 6.107 -9.346 884 HA VAL 118 HA VAL 118 35.401 7.565 -8.482 885 HB VAL 118 HB VAL 118 36.644 5.244 -6.942 886 1HG1 VAL 118 HG11 VAL 118 36.195 7.057 -5.357 887 2HG1 VAL 118 HG12 VAL 118 34.553 7.257 -6.008 888 3HG1 VAL 118 HG13 VAL 118 35.006 5.772 -5.145 889 1HG2 VAL 118 HG21 VAL 118 34.316 4.346 -6.910 890 2HG2 VAL 118 HG22 VAL 118 33.799 5.682 -7.962 891 3HG2 VAL 118 HG23 VAL 118 34.962 4.471 -8.545 892 H GLY 119 H GLY 119 36.044 9.420 -7.504 893 1HA GLY 119 HA2 GLY 119 38.101 9.982 -5.804 894 2HA GLY 119 HA3 GLY 119 38.859 10.139 -7.401 895 H PHE 120 H PHE 120 38.403 12.344 -5.569 896 HA PHE 120 HA PHE 120 35.923 13.649 -6.097 897 1HB PHE 120 HB2 PHE 120 37.395 13.906 -4.052 898 2HB PHE 120 HB3 PHE 120 38.529 14.823 -5.039 899 HD1 PHE 120 HD1 PHE 120 34.933 14.751 -3.927 900 HD2 PHE 120 HD2 PHE 120 38.252 17.180 -5.240 901 HE1 PHE 120 HE1 PHE 120 33.619 16.808 -3.463 902 HE2 PHE 120 HE2 PHE 120 36.932 19.228 -4.774 903 HZ PHE 120 HZ PHE 120 34.616 19.045 -3.885 904 H TYR 121 H TYR 121 35.512 15.469 -7.166 905 HA TYR 121 HA TYR 121 35.278 16.754 -8.933 906 1HB TYR 121 HB2 TYR 121 37.283 17.813 -7.654 907 2HB TYR 121 HB3 TYR 121 38.252 17.282 -9.014 908 HD1 TYR 121 HD1 TYR 121 38.260 18.624 -11.037 909 HD2 TYR 121 HD2 TYR 121 35.252 19.278 -8.016 910 HE1 TYR 121 HE1 TYR 121 37.526 20.676 -12.221 911 HE2 TYR 121 HE2 TYR 121 34.501 21.326 -9.192 912 HH TYR 121 HH TYR 121 34.827 22.733 -11.022 913 H TYR 122 H TYR 122 35.339 14.034 -9.525 914 HA TYR 122 HA TYR 122 36.410 14.092 -12.314 915 1HB TYR 122 HB2 TYR 122 36.031 11.670 -10.528 916 2HB TYR 122 HB3 TYR 122 36.464 11.645 -12.225 917 HD1 TYR 122 HD1 TYR 122 38.609 14.021 -11.951 918 HD2 TYR 122 HD2 TYR 122 37.878 10.258 -9.970 919 HE1 TYR 122 HE1 TYR 122 41.018 13.803 -11.477 920 HE2 TYR 122 HE2 TYR 122 40.285 9.994 -9.548 921 HH TYR 122 HH TYR 122 42.408 10.962 -9.758 922 HA PRO 123 HA PRO 123 32.094 13.434 -13.264 923 1HB PRO 123 HB2 PRO 123 32.194 12.845 -15.898 924 2HB PRO 123 HB3 PRO 123 32.740 14.439 -15.292 925 1HG PRO 123 HG2 PRO 123 34.438 12.010 -15.945 926 2HG PRO 123 HG3 PRO 123 34.687 13.706 -16.472 927 1HD PRO 123 HD2 PRO 123 35.943 12.577 -14.286 928 2HD PRO 123 HD3 PRO 123 35.544 14.323 -14.388 929 H MET 124 H MET 124 30.599 11.733 -14.041 930 HA MET 124 HA MET 124 31.369 8.993 -13.374 931 1HB MET 124 HB2 MET 124 29.139 9.977 -12.892 932 2HB MET 124 HB3 MET 124 28.857 10.196 -14.627 933 1HG MET 124 HG2 MET 124 29.077 7.710 -14.921 934 2HG MET 124 HG3 MET 124 29.227 7.547 -13.175 935 1HE MET 124 HE1 MET 124 27.401 8.165 -11.469 936 2HE MET 124 HE2 MET 124 27.061 9.789 -12.119 937 3HE MET 124 HE3 MET 124 25.734 8.648 -11.875 938 H THR 125 H THR 125 31.764 7.392 -14.889 939 HA THR 125 HA THR 125 32.634 8.248 -17.545 940 HB THR 125 HB THR 125 33.432 5.911 -17.693 941 HG1 THR 125 HG1 THR 125 32.398 5.659 -15.051 942 1HG2 THR 125 HG21 THR 125 35.111 5.941 -15.958 943 2HG2 THR 125 HG22 THR 125 34.908 7.573 -16.625 944 3HG2 THR 125 HG23 THR 125 34.206 7.167 -15.040 945 H GLN 126 H GLN 126 31.976 7.086 -19.501 946 HA GLN 126 HA GLN 126 29.285 7.160 -20.015 947 1HB GLN 126 HB2 GLN 126 31.303 7.182 -21.573 948 2HB GLN 126 HB3 GLN 126 31.264 5.424 -21.543 949 1HG GLN 126 HG2 GLN 126 28.992 7.261 -22.428 950 2HG GLN 126 HG3 GLN 126 30.131 6.483 -23.514 951 1HE2 GLN 126 HE22 GLN 126 27.031 6.242 -22.673 952 2HE2 GLN 126 HE21 GLN 126 26.795 4.513 -22.740 953 HA PRO 127 HA PRO 127 28.734 2.482 -19.714 954 1HB PRO 127 HB2 PRO 127 30.248 0.924 -17.992 955 2HB PRO 127 HB3 PRO 127 30.567 1.152 -19.737 956 1HG PRO 127 HG2 PRO 127 31.849 2.567 -17.400 957 2HG PRO 127 HG3 PRO 127 32.627 1.922 -18.874 958 1HD PRO 127 HD2 PRO 127 32.037 4.545 -18.557 959 2HD PRO 127 HD3 PRO 127 31.925 3.759 -20.156 960 H ILE 128 H ILE 128 29.735 4.233 -16.744 961 HA ILE 128 HA ILE 128 27.675 2.867 -15.171 962 HB ILE 128 HB ILE 128 29.615 5.103 -14.556 963 1HG1 ILE 128 HG12 ILE 128 30.456 3.501 -12.886 964 2HG1 ILE 128 HG13 ILE 128 29.255 2.310 -13.349 965 1HG2 ILE 128 HG21 ILE 128 28.844 5.116 -12.244 966 2HG2 ILE 128 HG22 ILE 128 27.469 5.489 -13.270 967 3HG2 ILE 128 HG23 ILE 128 27.621 3.872 -12.589 968 1HD1 ILE 128 HD11 ILE 128 31.407 3.292 -15.231 969 2HD1 ILE 128 HD12 ILE 128 31.632 1.926 -14.149 970 3HD1 ILE 128 HD13 ILE 128 30.385 1.847 -15.403 971 H LYS 129 H LYS 129 28.036 5.970 -16.912 972 HA LYS 129 HA LYS 129 25.493 7.063 -16.170 973 1HB LYS 129 HB2 LYS 129 27.089 7.293 -18.764 974 2HB LYS 129 HB3 LYS 129 25.557 8.126 -18.499 975 1HG LYS 129 HG2 LYS 129 26.473 9.352 -16.603 976 2HG LYS 129 HG3 LYS 129 28.024 8.506 -16.765 977 1HD LYS 129 HD2 LYS 129 28.370 9.456 -18.993 978 2HD LYS 129 HD3 LYS 129 26.772 10.238 -18.939 979 1HE LYS 129 HE2 LYS 129 27.470 11.565 -16.979 980 2HE LYS 129 HE3 LYS 129 29.053 10.777 -16.993 981 1HZ LYS 129 HZ1 LYS 129 29.120 12.938 -18.076 982 2HZ LYS 129 HZ2 LYS 129 29.469 11.776 -19.160 983 3HZ LYS 129 HZ3 LYS 129 27.999 12.494 -19.168 984 H ASP 130 H ASP 130 26.381 4.831 -18.833 985 HA ASP 130 HA ASP 130 23.752 4.462 -19.828 986 1HB ASP 130 HB2 ASP 130 25.726 3.768 -21.077 987 2HB ASP 130 HB3 ASP 130 26.147 2.589 -19.835 988 H ALA 131 H ALA 131 25.538 2.664 -17.306 989 HA ALA 131 HA ALA 131 23.515 0.756 -16.778 990 1HB ALA 131 HB1 ALA 131 25.818 0.550 -15.945 991 2HB ALA 131 HB2 ALA 131 25.565 1.934 -14.859 992 3HB ALA 131 HB3 ALA 131 24.645 0.439 -14.616 993 H VAL 132 H VAL 132 24.090 3.984 -15.208 994 HA VAL 132 HA VAL 132 21.897 3.800 -13.415 995 HB VAL 132 HB VAL 132 23.384 6.168 -14.623 996 1HG1 VAL 132 HG11 VAL 132 21.268 7.123 -14.024 997 2HG1 VAL 132 HG12 VAL 132 21.167 6.142 -12.551 998 3HG1 VAL 132 HG13 VAL 132 22.342 7.460 -12.656 999 1HG2 VAL 132 HG21 VAL 132 23.403 5.031 -11.789 1000 2HG2 VAL 132 HG22 VAL 132 24.640 4.680 -13.013 1001 3HG2 VAL 132 HG23 VAL 132 24.423 6.334 -12.435 1002 H GLU 133 H GLU 133 22.055 5.030 -16.824 1003 HA GLU 133 HA GLU 133 19.307 5.834 -16.804 1004 1HB GLU 133 HB2 GLU 133 21.039 6.709 -18.325 1005 2HB GLU 133 HB3 GLU 133 21.086 5.159 -19.181 1006 1HG GLU 133 HG2 GLU 133 18.858 5.432 -19.996 1007 2HG GLU 133 HG3 GLU 133 18.476 6.678 -18.807 1008 H THR 134 H THR 134 20.878 2.706 -17.434 1009 HA THR 134 HA THR 134 18.517 1.428 -18.511 1010 HB THR 134 HB THR 134 20.929 0.194 -17.106 1011 HG1 THR 134 HG1 THR 134 21.571 1.426 -18.873 1012 1HG2 THR 134 HG21 THR 134 19.086 -1.410 -17.351 1013 2HG2 THR 134 HG22 THR 134 18.909 -0.980 -19.067 1014 3HG2 THR 134 HG23 THR 134 20.385 -1.793 -18.490 1015 H VAL 135 H VAL 135 19.948 1.660 -15.186 1016 HA VAL 135 HA VAL 135 17.923 0.163 -13.858 1017 HB VAL 135 HB VAL 135 19.735 2.437 -12.935 1018 1HG1 VAL 135 HG11 VAL 135 19.281 1.675 -10.617 1019 2HG1 VAL 135 HG12 VAL 135 17.837 2.342 -11.374 1020 3HG1 VAL 135 HG13 VAL 135 18.018 0.581 -11.227 1021 1HG2 VAL 135 HG21 VAL 135 19.903 -0.564 -12.430 1022 2HG2 VAL 135 HG22 VAL 135 20.835 0.281 -13.669 1023 3HG2 VAL 135 HG23 VAL 135 21.095 0.687 -11.981 1024 H TYR 136 H TYR 136 18.199 3.690 -14.547 1025 HA TYR 136 HA TYR 136 15.825 4.578 -13.414 1026 1HB TYR 136 HB2 TYR 136 17.406 6.158 -14.286 1027 2HB TYR 136 HB3 TYR 136 17.368 5.424 -15.876 1028 HD1 TYR 136 HD1 TYR 136 16.041 6.328 -17.571 1029 HD2 TYR 136 HD2 TYR 136 15.048 7.070 -13.433 1030 HE1 TYR 136 HE1 TYR 136 14.130 7.750 -18.280 1031 HE2 TYR 136 HE2 TYR 136 13.124 8.452 -14.132 1032 HH TYR 136 HH TYR 136 11.893 9.240 -15.877 1033 H GLN 137 H GLN 137 16.249 3.228 -16.762 1034 HA GLN 137 HA GLN 137 13.456 3.417 -17.379 1035 1HB GLN 137 HB2 GLN 137 15.731 1.738 -18.481 1036 2HB GLN 137 HB3 GLN 137 14.085 1.610 -19.113 1037 1HG GLN 137 HG2 GLN 137 14.042 3.861 -19.866 1038 2HG GLN 137 HG3 GLN 137 15.452 4.313 -18.909 1039 1HE2 GLN 137 HE22 GLN 137 17.536 3.675 -19.548 1040 2HE2 GLN 137 HE21 GLN 137 17.890 3.162 -21.197 1041 H ARG 138 H ARG 138 15.394 0.778 -15.936 1042 HA ARG 138 HA ARG 138 13.275 -1.112 -16.030 1043 1HB ARG 138 HB2 ARG 138 15.895 -1.403 -15.544 1044 2HB ARG 138 HB3 ARG 138 15.379 -1.264 -13.867 1045 1HG ARG 138 HG2 ARG 138 15.340 -3.597 -14.292 1046 2HG ARG 138 HG3 ARG 138 13.654 -3.132 -14.422 1047 1HD ARG 138 HD2 ARG 138 14.055 -4.563 -16.277 1048 2HD ARG 138 HD3 ARG 138 14.028 -2.946 -16.962 1049 HE ARG 138 HE ARG 138 16.271 -3.082 -17.475 1050 1HH1 ARG 138 HH21 ARG 138 15.419 -5.853 -15.414 1051 2HH1 ARG 138 HH22 ARG 138 16.922 -6.686 -15.679 1052 1HH2 ARG 138 HH11 ARG 138 18.224 -4.241 -17.894 1053 2HH2 ARG 138 HH12 ARG 138 18.519 -5.757 -17.132 1054 H LEU 139 H LEU 139 13.890 1.449 -13.680 1055 HA LEU 139 HA LEU 139 12.359 0.468 -11.535 1056 1HB LEU 139 HB2 LEU 139 12.720 3.312 -12.539 1057 2HB LEU 139 HB3 LEU 139 11.878 2.928 -11.056 1058 HG LEU 139 HG LEU 139 14.817 2.406 -11.607 1059 1HD1 LEU 139 HD11 LEU 139 13.373 4.380 -9.805 1060 2HD1 LEU 139 HD12 LEU 139 15.132 4.161 -9.897 1061 3HD1 LEU 139 HD13 LEU 139 14.241 4.764 -11.305 1062 1HD2 LEU 139 HD21 LEU 139 13.248 1.924 -9.047 1063 2HD2 LEU 139 HD22 LEU 139 13.977 0.663 -10.072 1064 3HD2 LEU 139 HD23 LEU 139 15.008 1.818 -9.231 1065 H GLU 140 H GLU 140 11.179 1.543 -14.673 1066 HA GLU 140 HA GLU 140 8.495 2.147 -13.840 1067 1HB GLU 140 HB2 GLU 140 9.538 2.963 -15.902 1068 2HB GLU 140 HB3 GLU 140 9.682 1.318 -16.518 1069 1HG GLU 140 HG2 GLU 140 7.862 2.554 -17.585 1070 2HG GLU 140 HG3 GLU 140 7.284 1.117 -16.758 1071 H GLY 141 H GLY 141 10.165 -0.842 -14.191 1072 1HA GLY 141 HA2 GLY 141 7.610 -2.395 -14.033 1073 2HA GLY 141 HA3 GLY 141 8.886 -2.814 -15.183 1074 H TRP 142 H TRP 142 10.337 -1.658 -12.333 1075 HA TRP 142 HA TRP 142 11.263 -4.206 -11.467 1076 1HB TRP 142 HB2 TRP 142 12.552 -2.173 -11.121 1077 2HB TRP 142 HB3 TRP 142 11.251 -1.465 -10.177 1078 HD1 TRP 142 HD1 TRP 142 14.379 -3.444 -9.828 1079 HE1 TRP 142 HE1 TRP 142 14.783 -4.088 -7.350 1080 HE3 TRP 142 HE3 TRP 142 9.794 -2.223 -7.819 1081 HZ2 TRP 142 HZ2 TRP 142 13.571 -3.587 -4.896 1082 HZ3 TRP 142 HZ3 TRP 142 9.480 -2.296 -5.372 1083 HH2 TRP 142 HH2 TRP 142 11.353 -2.952 -3.875 1084 H GLU 143 H GLU 143 10.599 -5.487 -9.825 1085 HA GLU 143 HA GLU 143 8.340 -4.758 -8.141 1086 1HB GLU 143 HB2 GLU 143 7.380 -5.631 -10.348 1087 2HB GLU 143 HB3 GLU 143 8.159 -7.169 -10.016 1088 1HG GLU 143 HG2 GLU 143 5.892 -7.395 -9.342 1089 2HG GLU 143 HG3 GLU 143 6.806 -7.265 -7.844 1090 H GLY 144 H GLY 144 10.318 -4.841 -6.784 1091 1HA GLY 144 HA2 GLY 144 11.425 -5.904 -5.050 1092 2HA GLY 144 HA3 GLY 144 10.770 -7.469 -5.564 1093 H ASN 145 H ASN 145 11.578 -7.643 -8.208 1094 HA ASN 145 HA ASN 145 14.356 -6.752 -8.490 1095 1HB ASN 145 HB2 ASN 145 14.632 -8.954 -7.395 1096 2HB ASN 145 HB3 ASN 145 13.722 -9.724 -8.702 1097 1HD2 ASN 145 HD22 ASN 145 16.323 -10.608 -8.238 1098 2HD2 ASN 145 HD21 ASN 145 17.368 -10.029 -9.528 1099 H GLY 146 H GLY 146 13.569 -5.449 -10.083 1100 1HA GLY 146 HA2 GLY 146 12.064 -6.110 -12.359 1101 2HA GLY 146 HA3 GLY 146 13.255 -4.805 -12.239 1102 H GLY 147 H GLY 147 14.840 -7.817 -11.746 1103 1HA GLY 147 HA2 GLY 147 15.291 -9.504 -13.339 1104 2HA GLY 147 HA3 GLY 147 15.090 -8.367 -14.667 1105 H PHE 148 H PHE 148 17.069 -8.009 -11.644 1106 HA PHE 148 HA PHE 148 19.528 -8.136 -13.341 1107 1HB PHE 148 HB2 PHE 148 19.048 -6.710 -10.707 1108 2HB PHE 148 HB3 PHE 148 20.597 -6.818 -11.541 1109 HD1 PHE 148 HD1 PHE 148 20.758 -5.899 -13.916 1110 HD2 PHE 148 HD2 PHE 148 17.422 -5.113 -11.327 1111 HE1 PHE 148 HE1 PHE 148 20.169 -3.888 -15.290 1112 HE2 PHE 148 HE2 PHE 148 16.891 -3.038 -12.620 1113 HZ PHE 148 HZ PHE 148 18.261 -2.441 -14.616 1114 H ALA 149 H ALA 149 21.348 -9.138 -12.362 1115 HA ALA 149 HA ALA 149 20.627 -11.659 -11.044 1116 1HB ALA 149 HB1 ALA 149 23.308 -10.531 -11.987 1117 2HB ALA 149 HB2 ALA 149 23.061 -12.157 -11.318 1118 3HB ALA 149 HB3 ALA 149 22.289 -11.701 -12.848 1119 H GLN 150 H GLN 150 21.486 -12.311 -9.045 1120 HA GLN 150 HA GLN 150 21.813 -10.103 -7.118 1121 1HB GLN 150 HB2 GLN 150 20.143 -12.110 -6.967 1122 2HB GLN 150 HB3 GLN 150 21.538 -13.045 -6.416 1123 1HG GLN 150 HG2 GLN 150 20.562 -10.439 -5.155 1124 2HG GLN 150 HG3 GLN 150 20.035 -12.034 -4.632 1125 1HE2 GLN 150 HE22 GLN 150 22.611 -9.670 -4.466 1126 2HE2 GLN 150 HE21 GLN 150 23.768 -10.683 -3.623 1127 H LEU 151 H LEU 151 23.815 -9.534 -6.475 1128 HA LEU 151 HA LEU 151 26.209 -10.720 -7.429 1129 1HB LEU 151 HB2 LEU 151 26.008 -8.355 -6.720 1130 2HB LEU 151 HB3 LEU 151 25.660 -8.868 -5.074 1131 HG LEU 151 HG LEU 151 27.974 -9.880 -4.949 1132 1HD1 LEU 151 HD11 LEU 151 28.422 -10.271 -7.332 1133 2HD1 LEU 151 HD12 LEU 151 28.339 -8.528 -7.655 1134 3HD1 LEU 151 HD13 LEU 151 29.641 -9.196 -6.648 1135 1HD2 LEU 151 HD21 LEU 151 29.111 -7.617 -4.903 1136 2HD2 LEU 151 HD22 LEU 151 27.639 -6.933 -5.634 1137 3HD2 LEU 151 HD23 LEU 151 27.567 -7.688 -4.041 1138 H ALA 152 H ALA 152 27.186 -12.537 -6.749 1139 HA ALA 152 HA ALA 152 27.202 -13.171 -3.845 1140 1HB ALA 152 HB1 ALA 152 26.852 -15.554 -4.332 1141 2HB ALA 152 HB2 ALA 152 25.458 -14.594 -4.877 1142 3HB ALA 152 HB3 ALA 152 26.647 -15.191 -6.060 1143 H VAL 153 H VAL 153 28.613 -13.841 -7.073 1144 HA VAL 153 HA VAL 153 31.284 -13.539 -6.159 1145 HB VAL 153 HB VAL 153 31.511 -16.102 -7.232 1146 1HG1 VAL 153 HG11 VAL 153 32.461 -16.754 -5.076 1147 2HG1 VAL 153 HG12 VAL 153 32.971 -15.119 -5.520 1148 3HG1 VAL 153 HG13 VAL 153 31.704 -15.350 -4.296 1149 1HG2 VAL 153 HG21 VAL 153 29.155 -16.678 -6.757 1150 2HG2 VAL 153 HG22 VAL 153 30.327 -17.694 -5.915 1151 3HG2 VAL 153 HG23 VAL 153 29.474 -16.434 -5.021 1152 H GLU 154 H GLU 154 29.253 -15.194 -8.548 1153 HA GLU 154 HA GLU 154 29.451 -15.612 -10.730 1154 1HB GLU 154 HB2 GLU 154 29.984 -12.619 -10.881 1155 2HB GLU 154 HB3 GLU 154 29.493 -13.662 -12.214 1156 1HG GLU 154 HG2 GLU 154 27.462 -12.828 -11.641 1157 2HG GLU 154 HG3 GLU 154 27.454 -14.308 -10.693 1158 H GLU 155 H GLU 155 31.807 -16.169 -9.282 1159 HA GLU 155 HA GLU 155 33.685 -16.437 -11.529 1160 1HB GLU 155 HB2 GLU 155 34.457 -15.393 -8.758 1161 2HB GLU 155 HB3 GLU 155 35.613 -15.991 -9.954 1162 1HG GLU 155 HG2 GLU 155 34.841 -14.237 -11.556 1163 2HG GLU 155 HG3 GLU 155 33.842 -13.545 -10.275 1164 H GLU 156 H GLU 156 31.677 -18.117 -10.345 1165 HA GLU 156 HA GLU 156 33.219 -20.452 -9.475 1166 1HB GLU 156 HB2 GLU 156 30.888 -19.273 -7.896 1167 2HB GLU 156 HB3 GLU 156 31.518 -20.893 -7.665 1168 1HG GLU 156 HG2 GLU 156 33.035 -18.298 -7.154 1169 2HG GLU 156 HG3 GLU 156 32.279 -19.313 -5.941 Start of MODEL 5 1 1H MET 1 H1 MET 1 0.869 1.473 1.961 2 2H MET 1 H2 MET 1 -0.218 1.755 0.772 3 3H MET 1 H3 MET 1 -0.070 0.249 1.409 4 HA MET 1 HA MET 1 2.165 0.055 0.568 5 1HB MET 1 HB2 MET 1 0.380 -0.868 -0.795 6 2HB MET 1 HB3 MET 1 0.077 0.701 -1.549 7 1HG MET 1 HG2 MET 1 1.374 -0.831 -2.983 8 2HG MET 1 HG3 MET 1 2.232 0.666 -2.650 9 1HE MET 1 HE1 MET 1 5.125 -1.937 -3.085 10 2HE MET 1 HE2 MET 1 3.551 -2.041 -3.905 11 3HE MET 1 HE3 MET 1 4.344 -0.464 -3.704 12 H THR 2 H THR 2 3.936 1.279 0.575 13 HA THR 2 HA THR 2 4.066 3.649 -1.185 14 HB THR 2 HB THR 2 5.277 3.626 1.611 15 HG1 THR 2 HG1 THR 2 3.104 3.771 1.926 16 1HG2 THR 2 HG21 THR 2 4.815 5.931 -0.340 17 2HG2 THR 2 HG22 THR 2 5.620 6.021 1.247 18 3HG2 THR 2 HG23 THR 2 6.369 5.124 -0.081 19 H ASP 3 H ASP 3 5.996 3.589 -2.343 20 HA ASP 3 HA ASP 3 7.957 1.430 -1.724 21 1HB ASP 3 HB2 ASP 3 6.283 0.751 -3.454 22 2HB ASP 3 HB3 ASP 3 6.753 2.142 -4.431 23 H VAL 4 H VAL 4 9.910 2.407 -1.492 24 HA VAL 4 HA VAL 4 10.162 5.203 -2.532 25 HB VAL 4 HB VAL 4 11.007 4.027 0.140 26 1HG1 VAL 4 HG11 VAL 4 11.520 6.335 0.810 27 2HG1 VAL 4 HG12 VAL 4 12.557 5.838 -0.523 28 3HG1 VAL 4 HG13 VAL 4 11.174 6.914 -0.833 29 1HG2 VAL 4 HG21 VAL 4 9.247 5.737 0.958 30 2HG2 VAL 4 HG22 VAL 4 8.705 5.825 -0.718 31 3HG2 VAL 4 HG23 VAL 4 8.620 4.293 0.151 32 H LEU 5 H LEU 5 12.146 5.961 -3.117 33 HA LEU 5 HA LEU 5 14.228 3.914 -3.744 34 1HB LEU 5 HB2 LEU 5 13.030 4.814 -5.750 35 2HB LEU 5 HB3 LEU 5 13.381 6.450 -5.208 36 HG LEU 5 HG LEU 5 15.881 5.851 -5.380 37 1HD1 LEU 5 HD11 LEU 5 15.667 3.384 -5.411 38 2HD1 LEU 5 HD12 LEU 5 14.744 3.478 -6.927 39 3HD1 LEU 5 HD13 LEU 5 16.450 3.974 -6.878 40 1HD2 LEU 5 HD21 LEU 5 14.073 5.896 -7.821 41 2HD2 LEU 5 HD22 LEU 5 14.807 7.278 -6.995 42 3HD2 LEU 5 HD23 LEU 5 15.836 6.141 -7.869 43 H LEU 6 H LEU 6 16.129 4.357 -2.705 44 HA LEU 6 HA LEU 6 16.615 7.115 -1.657 45 1HB LEU 6 HB2 LEU 6 16.219 5.619 0.171 46 2HB LEU 6 HB3 LEU 6 17.317 4.408 -0.508 47 HG LEU 6 HG LEU 6 19.240 5.965 -0.126 48 1HD1 LEU 6 HD11 LEU 6 18.898 7.949 1.333 49 2HD1 LEU 6 HD12 LEU 6 18.131 8.132 -0.247 50 3HD1 LEU 6 HD13 LEU 6 17.141 7.737 1.179 51 1HD2 LEU 6 HD21 LEU 6 18.683 4.270 1.531 52 2HD2 LEU 6 HD22 LEU 6 19.229 5.738 2.347 53 3HD2 LEU 6 HD23 LEU 6 17.499 5.338 2.288 54 H CYS 7 H CYS 7 17.698 7.892 -3.363 55 HA CYS 7 HA CYS 7 19.915 6.467 -4.648 56 1HB CYS 7 HB2 CYS 7 18.827 9.320 -4.669 57 2HB CYS 7 HB3 CYS 7 20.245 8.827 -5.580 58 HG CYS 7 HG CYS 7 17.184 7.557 -5.630 59 H VAL 8 H VAL 8 22.092 6.697 -4.125 60 HA VAL 8 HA VAL 8 22.900 8.523 -1.943 61 HB VAL 8 HB VAL 8 23.584 5.558 -2.176 62 1HG1 VAL 8 HG11 VAL 8 24.631 5.849 0.054 63 2HG1 VAL 8 HG12 VAL 8 25.434 6.809 -1.183 64 3HG1 VAL 8 HG13 VAL 8 24.318 7.595 -0.045 65 1HG2 VAL 8 HG21 VAL 8 21.328 5.643 -1.394 66 2HG2 VAL 8 HG22 VAL 8 22.350 5.301 -0.004 67 3HG2 VAL 8 HG23 VAL 8 21.705 6.943 -0.248 68 H GLY 9 H GLY 9 24.973 9.378 -2.301 69 1HA GLY 9 HA2 GLY 9 27.222 8.574 -3.395 70 2HA GLY 9 HA3 GLY 9 26.288 8.770 -4.881 71 H ASN 10 H ASN 10 28.503 10.270 -4.736 72 HA ASN 10 HA ASN 10 27.475 13.051 -4.269 73 1HB ASN 10 HB2 ASN 10 29.325 12.549 -2.787 74 2HB ASN 10 HB3 ASN 10 30.294 11.929 -4.112 75 1HD2 ASN 10 HD22 ASN 10 30.074 14.555 -2.140 76 2HD2 ASN 10 HD21 ASN 10 30.683 15.778 -3.226 77 H SER 11 H SER 11 27.056 14.094 -6.084 78 HA SER 11 HA SER 11 27.097 12.990 -8.563 79 1HB SER 11 HB2 SER 11 27.144 15.979 -8.104 80 2HB SER 11 HB3 SER 11 26.150 15.048 -9.236 81 HG SER 11 HG SER 11 24.979 15.783 -7.387 82 H MET 12 H MET 12 29.898 14.497 -7.125 83 HA MET 12 HA MET 12 31.142 14.767 -9.817 84 1HB MET 12 HB2 MET 12 32.284 16.759 -9.143 85 2HB MET 12 HB3 MET 12 30.552 17.004 -8.940 86 1HG MET 12 HG2 MET 12 30.751 16.686 -6.518 87 2HG MET 12 HG3 MET 12 32.463 16.275 -6.680 88 1HE MET 12 HE1 MET 12 32.817 19.630 -4.827 89 2HE MET 12 HE2 MET 12 31.662 18.309 -4.546 90 3HE MET 12 HE3 MET 12 33.357 17.942 -4.951 91 H MET 13 H MET 13 31.111 12.688 -7.441 92 HA MET 13 HA MET 13 34.016 12.672 -6.933 93 1HB MET 13 HB2 MET 13 32.417 12.644 -5.042 94 2HB MET 13 HB3 MET 13 31.858 11.059 -5.572 95 1HG MET 13 HG2 MET 13 34.172 10.182 -5.229 96 2HG MET 13 HG3 MET 13 34.692 11.810 -4.771 97 1HE MET 13 HE1 MET 13 35.016 10.126 -1.389 98 2HE MET 13 HE2 MET 13 35.370 9.392 -2.974 99 3HE MET 13 HE3 MET 13 35.749 11.105 -2.680 100 H GLY 14 H GLY 14 33.006 12.124 -9.595 101 1HA GLY 14 HA2 GLY 14 33.550 10.648 -11.260 102 2HA GLY 14 HA3 GLY 14 34.141 9.495 -10.058 103 H ASP 15 H ASP 15 33.062 7.761 -10.832 104 HA ASP 15 HA ASP 15 30.350 7.534 -11.623 105 1HB ASP 15 HB2 ASP 15 32.312 5.499 -10.516 106 2HB ASP 15 HB3 ASP 15 30.761 5.079 -11.208 107 H ASP 16 H ASP 16 31.741 7.840 -8.480 108 HA ASP 16 HA ASP 16 30.030 6.444 -6.786 109 1HB ASP 16 HB2 ASP 16 32.077 7.714 -6.162 110 2HB ASP 16 HB3 ASP 16 31.193 9.218 -6.450 111 H GLY 17 H GLY 17 29.359 9.358 -8.666 112 1HA GLY 17 HA2 GLY 17 27.037 10.233 -7.230 113 2HA GLY 17 HA3 GLY 17 27.534 10.716 -8.855 114 H ALA 18 H ALA 18 26.843 7.303 -7.969 115 HA ALA 18 HA ALA 18 25.279 6.955 -10.345 116 1HB ALA 18 HB1 ALA 18 26.526 5.110 -9.368 117 2HB ALA 18 HB2 ALA 18 25.603 5.244 -7.853 118 3HB ALA 18 HB3 ALA 18 24.791 4.722 -9.339 119 H GLY 19 H GLY 19 24.370 7.110 -6.856 120 1HA GLY 19 HA2 GLY 19 21.563 6.992 -7.218 121 2HA GLY 19 HA3 GLY 19 22.423 7.710 -5.849 122 HA PRO 20 HA PRO 20 21.648 11.849 -7.069 123 1HB PRO 20 HB2 PRO 20 24.419 12.206 -8.254 124 2HB PRO 20 HB3 PRO 20 23.456 13.360 -7.271 125 1HG PRO 20 HG2 PRO 20 25.375 11.810 -6.118 126 2HG PRO 20 HG3 PRO 20 23.819 12.094 -5.284 127 1HD PRO 20 HD2 PRO 20 24.762 9.633 -6.688 128 2HD PRO 20 HD3 PRO 20 23.649 9.811 -5.311 129 H LEU 21 H LEU 21 23.398 10.202 -9.856 130 HA LEU 21 HA LEU 21 22.028 11.883 -11.760 131 1HB LEU 21 HB2 LEU 21 24.170 10.808 -12.271 132 2HB LEU 21 HB3 LEU 21 23.449 9.215 -12.074 133 HG LEU 21 HG LEU 21 21.935 9.667 -14.022 134 1HD1 LEU 21 HD11 LEU 21 22.476 11.650 -15.494 135 2HD1 LEU 21 HD12 LEU 21 21.725 12.095 -13.961 136 3HD1 LEU 21 HD13 LEU 21 23.478 12.294 -14.179 137 1HD2 LEU 21 HD21 LEU 21 23.652 9.529 -15.763 138 2HD2 LEU 21 HD22 LEU 21 24.876 10.124 -14.617 139 3HD2 LEU 21 HD23 LEU 21 24.094 8.551 -14.356 140 H LEU 22 H LEU 22 21.345 8.679 -10.277 141 HA LEU 22 HA LEU 22 19.103 8.054 -11.927 142 1HB LEU 22 HB2 LEU 22 20.196 6.386 -10.460 143 2HB LEU 22 HB3 LEU 22 19.721 7.293 -9.038 144 HG LEU 22 HG LEU 22 17.357 6.890 -9.477 145 1HD1 LEU 22 HD11 LEU 22 17.265 6.763 -11.900 146 2HD1 LEU 22 HD12 LEU 22 18.329 5.333 -11.922 147 3HD1 LEU 22 HD13 LEU 22 16.686 5.234 -11.248 148 1HD2 LEU 22 HD21 LEU 22 19.023 4.343 -9.624 149 2HD2 LEU 22 HD22 LEU 22 18.628 5.249 -8.145 150 3HD2 LEU 22 HD23 LEU 22 17.341 4.454 -9.068 151 H ALA 23 H ALA 23 19.342 9.742 -8.755 152 HA ALA 23 HA ALA 23 16.597 10.330 -8.443 153 1HB ALA 23 HB1 ALA 23 18.266 10.599 -6.623 154 2HB ALA 23 HB2 ALA 23 19.036 11.927 -7.511 155 3HB ALA 23 HB3 ALA 23 17.378 12.103 -6.898 156 H GLU 24 H GLU 24 19.152 12.149 -10.211 157 HA GLU 24 HA GLU 24 17.569 14.445 -10.775 158 1HB GLU 24 HB2 GLU 24 19.975 14.486 -11.057 159 2HB GLU 24 HB3 GLU 24 19.930 13.138 -12.179 160 1HG GLU 24 HG2 GLU 24 20.332 15.198 -13.376 161 2HG GLU 24 HG3 GLU 24 18.819 14.460 -13.877 162 H LYS 25 H LYS 25 18.132 11.444 -12.626 163 HA LYS 25 HA LYS 25 16.423 12.141 -14.815 164 1HB LYS 25 HB2 LYS 25 17.494 9.518 -13.720 165 2HB LYS 25 HB3 LYS 25 16.460 9.595 -15.166 166 1HG LYS 25 HG2 LYS 25 18.068 11.075 -16.285 167 2HG LYS 25 HG3 LYS 25 19.126 11.025 -14.865 168 1HD LYS 25 HD2 LYS 25 19.304 8.540 -15.123 169 2HD LYS 25 HD3 LYS 25 18.348 8.630 -16.610 170 1HE LYS 25 HE2 LYS 25 20.969 10.122 -16.136 171 2HE LYS 25 HE3 LYS 25 20.885 8.535 -16.904 172 1HZ LYS 25 HZ1 LYS 25 20.979 10.418 -18.481 173 2HZ LYS 25 HZ2 LYS 25 19.697 9.459 -18.739 174 3HZ LYS 25 HZ3 LYS 25 19.506 10.922 -17.999 175 H CYS 26 H CYS 26 15.736 10.250 -11.810 176 HA CYS 26 HA CYS 26 13.003 9.695 -12.485 177 1HB CYS 26 HB2 CYS 26 14.302 9.997 -9.735 178 2HB CYS 26 HB3 CYS 26 12.715 9.279 -10.078 179 HG CYS 26 HG CYS 26 15.714 8.333 -11.074 180 H ALA 27 H ALA 27 14.494 12.458 -10.671 181 HA ALA 27 HA ALA 27 12.050 13.708 -10.022 182 1HB ALA 27 HB1 ALA 27 14.787 14.960 -10.519 183 2HB ALA 27 HB2 ALA 27 13.420 15.743 -9.701 184 3HB ALA 27 HB3 ALA 27 14.185 14.319 -8.971 185 H ALA 28 H ALA 28 14.154 14.025 -12.928 186 HA ALA 28 HA ALA 28 12.613 16.059 -14.179 187 1HB ALA 28 HB1 ALA 28 13.913 15.460 -16.188 188 2HB ALA 28 HB2 ALA 28 14.962 15.561 -14.761 189 3HB ALA 28 HB3 ALA 28 14.474 13.972 -15.399 190 H ALA 29 H ALA 29 12.331 12.528 -14.144 191 HA ALA 29 HA ALA 29 9.808 12.592 -15.679 192 1HB ALA 29 HB1 ALA 29 10.718 10.919 -17.287 193 2HB ALA 29 HB2 ALA 29 11.481 12.512 -17.438 194 3HB ALA 29 HB3 ALA 29 12.345 11.201 -16.612 195 HA PRO 30 HA PRO 30 9.825 9.811 -12.005 196 1HB PRO 30 HB2 PRO 30 6.882 10.054 -12.681 197 2HB PRO 30 HB3 PRO 30 7.660 9.978 -11.067 198 1HG PRO 30 HG2 PRO 30 6.908 12.369 -12.083 199 2HG PRO 30 HG3 PRO 30 8.510 12.205 -11.292 200 1HD PRO 30 HD2 PRO 30 7.866 12.229 -14.247 201 2HD PRO 30 HD3 PRO 30 9.208 13.025 -13.369 202 H LYS 31 H LYS 31 9.044 7.629 -11.603 203 HA LYS 31 HA LYS 31 8.298 5.997 -13.973 204 1HB LYS 31 HB2 LYS 31 10.596 5.488 -12.008 205 2HB LYS 31 HB3 LYS 31 10.025 4.303 -13.175 206 1HG LYS 31 HG2 LYS 31 11.159 7.025 -13.948 207 2HG LYS 31 HG3 LYS 31 12.112 5.558 -13.838 208 1HD LYS 31 HD2 LYS 31 10.986 4.493 -15.618 209 2HD LYS 31 HD3 LYS 31 9.638 5.633 -15.623 210 1HE LYS 31 HE2 LYS 31 12.504 6.382 -16.277 211 2HE LYS 31 HE3 LYS 31 11.310 5.916 -17.494 212 1HZ LYS 31 HZ1 LYS 31 11.020 8.252 -15.677 213 2HZ LYS 31 HZ2 LYS 31 11.462 8.320 -17.245 214 3HZ LYS 31 HZ3 LYS 31 9.952 7.802 -16.832 215 H GLY 32 H GLY 32 7.490 3.888 -13.341 216 1HA GLY 32 HA2 GLY 32 6.005 2.580 -12.181 217 2HA GLY 32 HA3 GLY 32 7.181 2.744 -10.874 218 H ASN 33 H ASN 33 6.269 3.355 -9.023 219 HA ASN 33 HA ASN 33 4.555 5.740 -8.948 220 1HB ASN 33 HB2 ASN 33 2.981 3.771 -8.929 221 2HB ASN 33 HB3 ASN 33 3.798 3.179 -7.480 222 1HD2 ASN 33 HD21 ASN 33 2.036 3.416 -6.016 223 2HD2 ASN 33 HD22 ASN 33 1.323 4.960 -5.631 224 H TRP 34 H TRP 34 7.344 5.391 -8.477 225 HA TRP 34 HA TRP 34 7.955 4.767 -5.752 226 1HB TRP 34 HB2 TRP 34 9.491 6.329 -7.874 227 2HB TRP 34 HB3 TRP 34 10.163 5.774 -6.354 228 HD1 TRP 34 HD1 TRP 34 9.231 4.533 -9.796 229 HE1 TRP 34 HE1 TRP 34 10.175 2.209 -10.185 230 HE3 TRP 34 HE3 TRP 34 10.813 3.542 -5.046 231 HZ2 TRP 34 HZ2 TRP 34 11.929 0.401 -8.748 232 HZ3 TRP 34 HZ3 TRP 34 12.189 1.528 -4.598 233 HH2 TRP 34 HH2 TRP 34 12.811 0.000 -6.447 234 H VAL 35 H VAL 35 8.857 6.192 -4.219 235 HA VAL 35 HA VAL 35 8.309 9.110 -4.528 236 HB VAL 35 HB VAL 35 8.633 7.641 -1.888 237 1HG1 VAL 35 HG11 VAL 35 7.599 10.423 -2.581 238 2HG1 VAL 35 HG12 VAL 35 7.680 9.724 -0.952 239 3HG1 VAL 35 HG13 VAL 35 9.172 10.042 -1.846 240 1HG2 VAL 35 HG21 VAL 35 6.550 6.791 -2.852 241 2HG2 VAL 35 HG22 VAL 35 6.178 7.934 -1.560 242 3HG2 VAL 35 HG23 VAL 35 6.030 8.443 -3.257 243 H VAL 36 H VAL 36 10.205 10.178 -4.886 244 HA VAL 36 HA VAL 36 12.699 8.624 -4.786 245 HB VAL 36 HB VAL 36 12.096 11.400 -5.901 246 1HG1 VAL 36 HG11 VAL 36 14.507 11.116 -5.493 247 2HG1 VAL 36 HG12 VAL 36 14.495 9.565 -6.356 248 3HG1 VAL 36 HG13 VAL 36 14.177 11.082 -7.226 249 1HG2 VAL 36 HG21 VAL 36 12.074 10.348 -8.120 250 2HG2 VAL 36 HG22 VAL 36 12.285 8.739 -7.386 251 3HG2 VAL 36 HG23 VAL 36 10.795 9.671 -7.122 252 H ILE 37 H ILE 37 14.321 8.970 -3.341 253 HA ILE 37 HA ILE 37 14.493 11.508 -1.835 254 HB ILE 37 HB ILE 37 14.802 8.672 -0.729 255 1HG1 ILE 37 HG12 ILE 37 12.940 10.954 0.091 256 2HG1 ILE 37 HG13 ILE 37 12.464 9.490 -0.777 257 1HG2 ILE 37 HG21 ILE 37 15.537 9.665 1.388 258 2HG2 ILE 37 HG22 ILE 37 16.640 10.122 0.117 259 3HG2 ILE 37 HG23 ILE 37 15.434 11.297 0.690 260 1HD1 ILE 37 HD11 ILE 37 13.196 8.130 1.185 261 2HD1 ILE 37 HD12 ILE 37 13.423 9.649 2.096 262 3HD1 ILE 37 HD13 ILE 37 11.825 9.216 1.494 263 H ASP 38 H ASP 38 16.651 12.182 -1.702 264 HA ASP 38 HA ASP 38 18.765 10.437 -2.856 265 1HB ASP 38 HB2 ASP 38 18.357 11.991 -4.615 266 2HB ASP 38 HB3 ASP 38 18.269 13.354 -3.494 267 H GLY 39 H GLY 39 19.892 9.938 -1.110 268 1HA GLY 39 HA2 GLY 39 19.996 11.622 1.274 269 2HA GLY 39 HA3 GLY 39 20.757 10.046 1.002 270 H GLY 40 H GLY 40 21.688 11.736 -1.691 271 1HA GLY 40 HA2 GLY 40 23.741 12.534 -2.315 272 2HA GLY 40 HA3 GLY 40 23.854 13.359 -0.743 273 H SER 41 H SER 41 26.053 12.701 -0.364 274 HA SER 41 HA SER 41 26.666 9.847 -0.289 275 1HB SER 41 HB2 SER 41 28.945 10.810 0.377 276 2HB SER 41 HB3 SER 41 28.316 11.160 -1.241 277 HG SER 41 HG SER 41 29.216 12.991 0.011 278 H ALA 42 H ALA 42 24.760 11.461 1.734 279 HA ALA 42 HA ALA 42 25.826 10.226 4.207 280 1HB ALA 42 HB1 ALA 42 25.397 12.303 5.456 281 2HB ALA 42 HB2 ALA 42 26.627 12.557 4.205 282 3HB ALA 42 HB3 ALA 42 24.966 13.140 3.949 283 HA PRO 43 HA PRO 43 21.268 9.825 3.129 284 1HB PRO 43 HB2 PRO 43 20.965 7.111 3.082 285 2HB PRO 43 HB3 PRO 43 21.614 8.041 1.702 286 1HG PRO 43 HG2 PRO 43 23.193 6.598 3.862 287 2HG PRO 43 HG3 PRO 43 23.381 6.457 2.087 288 1HD PRO 43 HD2 PRO 43 24.957 8.126 3.539 289 2HD PRO 43 HD3 PRO 43 24.347 8.623 1.933 290 H GLU 44 H GLU 44 23.212 8.654 5.788 291 HA GLU 44 HA GLU 44 21.173 7.745 7.510 292 1HB GLU 44 HB2 GLU 44 22.729 8.250 9.326 293 2HB GLU 44 HB3 GLU 44 23.447 7.365 7.993 294 1HG GLU 44 HG2 GLU 44 25.108 8.853 8.634 295 2HG GLU 44 HG3 GLU 44 24.450 9.531 7.155 296 H ASN 45 H ASN 45 22.080 11.027 6.605 297 HA ASN 45 HA ASN 45 20.580 12.394 8.579 298 1HB ASN 45 HB2 ASN 45 21.174 14.271 7.487 299 2HB ASN 45 HB3 ASN 45 22.251 13.209 6.587 300 1HD2 ASN 45 HD22 ASN 45 21.531 12.507 4.385 301 2HD2 ASN 45 HD21 ASN 45 20.124 13.255 3.615 302 H ASP 46 H ASP 46 19.551 10.661 5.734 303 HA ASP 46 HA ASP 46 16.937 12.048 5.595 304 1HB ASP 46 HB2 ASP 46 18.695 10.598 3.675 305 2HB ASP 46 HB3 ASP 46 16.979 10.298 3.477 306 H ILE 47 H ILE 47 18.177 9.342 7.132 307 HA ILE 47 HA ILE 47 16.161 7.383 6.989 308 HB ILE 47 HB ILE 47 17.986 8.411 9.168 309 1HG1 ILE 47 HG12 ILE 47 17.790 5.735 7.699 310 2HG1 ILE 47 HG13 ILE 47 18.828 7.074 7.210 311 1HG2 ILE 47 HG21 ILE 47 16.062 7.725 10.453 312 2HG2 ILE 47 HG22 ILE 47 15.959 6.194 9.575 313 3HG2 ILE 47 HG23 ILE 47 17.334 6.533 10.647 314 1HD1 ILE 47 HD11 ILE 47 20.206 5.539 8.388 315 2HD1 ILE 47 HD12 ILE 47 19.973 6.936 9.454 316 3HD1 ILE 47 HD13 ILE 47 19.073 5.422 9.744 317 H VAL 48 H VAL 48 16.139 10.507 8.801 318 HA VAL 48 HA VAL 48 13.731 10.035 10.185 319 HB VAL 48 HB VAL 48 14.902 12.671 9.204 320 1HG1 VAL 48 HG11 VAL 48 13.721 13.663 11.163 321 2HG1 VAL 48 HG12 VAL 48 12.590 12.979 9.992 322 3HG1 VAL 48 HG13 VAL 48 12.956 12.090 11.488 323 1HG2 VAL 48 HG21 VAL 48 15.921 12.772 11.499 324 2HG2 VAL 48 HG22 VAL 48 15.361 11.110 11.795 325 3HG2 VAL 48 HG23 VAL 48 16.571 11.448 10.538 326 H ALA 49 H ALA 49 14.266 11.226 6.848 327 HA ALA 49 HA ALA 49 11.535 12.014 6.438 328 1HB ALA 49 HB1 ALA 49 13.673 11.271 4.391 329 2HB ALA 49 HB2 ALA 49 12.144 12.104 4.056 330 3HB ALA 49 HB3 ALA 49 13.384 12.901 5.047 331 H ILE 50 H ILE 50 13.439 9.077 5.713 332 HA ILE 50 HA ILE 50 11.353 7.578 4.516 333 HB ILE 50 HB ILE 50 13.792 6.640 6.101 334 1HG1 ILE 50 HG12 ILE 50 13.463 6.895 3.078 335 2HG1 ILE 50 HG13 ILE 50 14.226 8.148 4.047 336 1HG2 ILE 50 HG21 ILE 50 13.493 4.531 4.777 337 2HG2 ILE 50 HG22 ILE 50 12.120 4.847 5.838 338 3HG2 ILE 50 HG23 ILE 50 12.008 5.216 4.099 339 1HD1 ILE 50 HD11 ILE 50 15.932 6.489 4.823 340 2HD1 ILE 50 HD12 ILE 50 15.260 5.330 3.645 341 3HD1 ILE 50 HD13 ILE 50 15.953 6.863 3.093 342 H ARG 51 H ARG 51 12.260 8.031 7.963 343 HA ARG 51 HA ARG 51 10.372 6.150 8.983 344 1HB ARG 51 HB2 ARG 51 11.670 8.569 10.282 345 2HB ARG 51 HB3 ARG 51 10.664 7.428 11.156 346 1HG ARG 51 HG2 ARG 51 13.205 6.607 9.698 347 2HG ARG 51 HG3 ARG 51 13.144 7.106 11.384 348 1HD ARG 51 HD2 ARG 51 13.155 4.798 11.483 349 2HD ARG 51 HD3 ARG 51 11.462 5.211 11.742 350 HE ARG 51 HE ARG 51 12.665 4.293 9.143 351 1HH1 ARG 51 HH21 ARG 51 9.879 4.159 11.394 352 2HH1 ARG 51 HH22 ARG 51 9.007 3.051 10.355 353 1HH2 ARG 51 HH11 ARG 51 11.385 2.812 7.857 354 2HH2 ARG 51 HH12 ARG 51 9.837 2.291 8.499 355 H GLU 52 H GLU 52 9.835 9.397 7.705 356 HA GLU 52 HA GLU 52 7.200 9.583 8.968 357 1HB GLU 52 HB2 GLU 52 8.363 11.051 6.558 358 2HB GLU 52 HB3 GLU 52 6.780 11.353 7.246 359 1HG GLU 52 HG2 GLU 52 9.405 11.720 8.742 360 2HG GLU 52 HG3 GLU 52 8.507 12.991 7.932 361 H LEU 53 H LEU 53 8.540 8.662 5.747 362 HA LEU 53 HA LEU 53 6.025 8.112 4.563 363 1HB LEU 53 HB2 LEU 53 8.765 6.991 3.836 364 2HB LEU 53 HB3 LEU 53 7.327 6.938 2.824 365 HG LEU 53 HG LEU 53 8.918 9.399 3.624 366 1HD1 LEU 53 HD11 LEU 53 9.836 8.002 1.809 367 2HD1 LEU 53 HD12 LEU 53 8.307 8.150 0.915 368 3HD1 LEU 53 HD13 LEU 53 9.313 9.586 1.216 369 1HD2 LEU 53 HD21 LEU 53 6.278 9.293 2.109 370 2HD2 LEU 53 HD22 LEU 53 6.603 10.117 3.657 371 3HD2 LEU 53 HD23 LEU 53 7.359 10.704 2.180 372 H ARG 54 H ARG 54 8.097 6.117 6.561 373 HA ARG 54 HA ARG 54 8.060 3.942 7.223 374 1HB ARG 54 HB2 ARG 54 5.061 4.451 7.270 375 2HB ARG 54 HB3 ARG 54 5.891 3.131 8.104 376 1HG ARG 54 HG2 ARG 54 7.085 4.694 9.540 377 2HG ARG 54 HG3 ARG 54 6.453 6.077 8.628 378 1HD ARG 54 HD2 ARG 54 4.155 5.530 9.291 379 2HD ARG 54 HD3 ARG 54 4.738 4.118 10.177 380 HE ARG 54 HE ARG 54 5.400 5.434 11.907 381 1HH1 ARG 54 HH21 ARG 54 4.975 7.658 9.129 382 2HH1 ARG 54 HH22 ARG 54 4.770 9.043 10.133 383 1HH2 ARG 54 HH11 ARG 54 5.341 7.327 13.177 384 2HH2 ARG 54 HH12 ARG 54 5.129 8.874 12.454 385 HA PRO 55 HA PRO 55 7.033 2.975 2.745 386 1HB PRO 55 HB2 PRO 55 9.671 1.538 2.869 387 2HB PRO 55 HB3 PRO 55 9.003 2.567 1.575 388 1HG PRO 55 HG2 PRO 55 10.923 3.465 3.276 389 2HG PRO 55 HG3 PRO 55 9.606 4.541 2.732 390 1HD PRO 55 HD2 PRO 55 9.877 3.177 5.383 391 2HD PRO 55 HD3 PRO 55 9.253 4.782 4.963 392 H THR 56 H THR 56 6.173 1.073 1.849 393 HA THR 56 HA THR 56 6.011 -1.328 3.499 394 HB THR 56 HB THR 56 5.248 -1.008 0.578 395 HG1 THR 56 HG1 THR 56 3.829 -0.121 2.870 396 1HG2 THR 56 HG21 THR 56 3.423 -2.566 1.172 397 2HG2 THR 56 HG22 THR 56 5.012 -3.273 1.511 398 3HG2 THR 56 HG23 THR 56 4.023 -2.640 2.845 399 H ARG 57 H ARG 57 7.843 -0.046 0.725 400 HA ARG 57 HA ARG 57 9.826 -2.202 1.001 401 1HB ARG 57 HB2 ARG 57 8.211 -3.049 -0.635 402 2HB ARG 57 HB3 ARG 57 8.313 -1.548 -1.557 403 1HG ARG 57 HG2 ARG 57 10.660 -2.055 -2.154 404 2HG ARG 57 HG3 ARG 57 10.628 -3.494 -1.124 405 1HD ARG 57 HD2 ARG 57 10.312 -4.170 -3.427 406 2HD ARG 57 HD3 ARG 57 8.788 -4.422 -2.554 407 HE ARG 57 HE ARG 57 8.952 -1.801 -3.801 408 1HH1 ARG 57 HH21 ARG 57 8.183 -5.243 -4.558 409 2HH1 ARG 57 HH22 ARG 57 7.278 -4.776 -5.989 410 1HH2 ARG 57 HH11 ARG 57 7.850 -1.371 -5.798 411 2HH2 ARG 57 HH12 ARG 57 7.114 -2.731 -6.664 412 H LEU 58 H LEU 58 11.867 -1.599 0.117 413 HA LEU 58 HA LEU 58 12.204 1.228 -0.748 414 1HB LEU 58 HB2 LEU 58 12.451 1.263 1.653 415 2HB LEU 58 HB3 LEU 58 13.498 -0.156 1.620 416 HG LEU 58 HG LEU 58 15.286 1.137 0.541 417 1HD1 LEU 58 HD11 LEU 58 15.114 3.639 0.484 418 2HD1 LEU 58 HD12 LEU 58 14.106 2.856 -0.712 419 3HD1 LEU 58 HD13 LEU 58 13.368 3.501 0.774 420 1HD2 LEU 58 HD21 LEU 58 15.888 2.501 2.463 421 2HD2 LEU 58 HD22 LEU 58 14.195 2.571 2.995 422 3HD2 LEU 58 HD23 LEU 58 15.084 1.036 3.039 423 H LEU 59 H LEU 59 13.899 1.503 -2.158 424 HA LEU 59 HA LEU 59 15.783 -0.747 -2.647 425 1HB LEU 59 HB2 LEU 59 14.244 -0.677 -4.567 426 2HB LEU 59 HB3 LEU 59 14.468 1.072 -4.701 427 HG LEU 59 HG LEU 59 16.845 0.760 -5.296 428 1HD1 LEU 59 HD11 LEU 59 16.213 -2.224 -5.258 429 2HD1 LEU 59 HD12 LEU 59 17.694 -1.484 -5.897 430 3HD1 LEU 59 HD13 LEU 59 17.348 -1.381 -4.177 431 1HD2 LEU 59 HD21 LEU 59 14.974 -0.868 -7.051 432 2HD2 LEU 59 HD22 LEU 59 15.148 0.901 -7.069 433 3HD2 LEU 59 HD23 LEU 59 16.510 -0.123 -7.542 434 H ILE 60 H ILE 60 17.867 -0.029 -2.513 435 HA ILE 60 HA ILE 60 18.348 2.898 -2.428 436 HB ILE 60 HB ILE 60 19.923 0.701 -1.086 437 1HG1 ILE 60 HG12 ILE 60 17.866 2.408 0.378 438 2HG1 ILE 60 HG13 ILE 60 17.516 0.781 -0.184 439 1HG2 ILE 60 HG21 ILE 60 19.771 3.712 -0.584 440 2HG2 ILE 60 HG22 ILE 60 20.812 2.592 0.299 441 3HG2 ILE 60 HG23 ILE 60 21.090 2.881 -1.415 442 1HD1 ILE 60 HD11 ILE 60 19.291 -0.176 1.116 443 2HD1 ILE 60 HD12 ILE 60 19.699 1.423 1.800 444 3HD1 ILE 60 HD13 ILE 60 18.114 0.699 2.120 445 H VAL 61 H VAL 61 20.201 3.667 -3.630 446 HA VAL 61 HA VAL 61 21.556 1.666 -5.361 447 HB VAL 61 HB VAL 61 20.190 4.161 -6.446 448 1HG1 VAL 61 HG11 VAL 61 21.665 1.853 -7.787 449 2HG1 VAL 61 HG12 VAL 61 20.711 3.064 -8.666 450 3HG1 VAL 61 HG13 VAL 61 22.142 3.563 -7.769 451 1HG2 VAL 61 HG21 VAL 61 19.296 1.256 -6.625 452 2HG2 VAL 61 HG22 VAL 61 18.414 2.610 -5.890 453 3HG2 VAL 61 HG23 VAL 61 18.653 2.564 -7.634 454 H ASP 62 H ASP 62 23.629 2.115 -5.808 455 HA ASP 62 HA ASP 62 24.894 4.707 -5.692 456 1HB ASP 62 HB2 ASP 62 24.726 4.139 -3.284 457 2HB ASP 62 HB3 ASP 62 25.572 2.619 -3.591 458 H ALA 63 H ALA 63 27.386 4.183 -6.027 459 HA ALA 63 HA ALA 63 27.721 2.014 -8.002 460 1HB ALA 63 HB1 ALA 63 30.032 2.866 -8.133 461 2HB ALA 63 HB2 ALA 63 28.863 4.175 -8.377 462 3HB ALA 63 HB3 ALA 63 29.703 4.010 -6.814 463 H THR 64 H THR 64 29.272 0.266 -7.600 464 HA THR 64 HA THR 64 30.286 -0.133 -4.872 465 HB THR 64 HB THR 64 28.554 -2.308 -6.113 466 HG1 THR 64 HG1 THR 64 27.723 -0.176 -4.486 467 1HG2 THR 64 HG21 THR 64 30.149 -2.937 -4.324 468 2HG2 THR 64 HG22 THR 64 29.412 -1.726 -3.248 469 3HG2 THR 64 HG23 THR 64 28.474 -3.127 -3.797 470 H ASP 65 H ASP 65 32.361 -0.985 -5.177 471 HA ASP 65 HA ASP 65 33.120 -2.042 -7.798 472 1HB ASP 65 HB2 ASP 65 34.836 -0.916 -6.508 473 2HB ASP 65 HB3 ASP 65 34.615 -2.047 -5.157 474 H MET 66 H MET 66 32.634 -4.005 -8.463 475 HA MET 66 HA MET 66 32.047 -6.175 -6.507 476 1HB MET 66 HB2 MET 66 30.851 -5.480 -9.230 477 2HB MET 66 HB3 MET 66 30.529 -6.987 -8.362 478 1HG MET 66 HG2 MET 66 29.667 -5.759 -6.429 479 2HG MET 66 HG3 MET 66 29.975 -4.222 -7.215 480 1HE MET 66 HE1 MET 66 27.348 -3.870 -9.937 481 2HE MET 66 HE2 MET 66 28.547 -3.074 -8.883 482 3HE MET 66 HE3 MET 66 29.074 -4.290 -10.059 483 H GLY 67 H GLY 67 34.466 -5.136 -8.579 484 1HA GLY 67 HA2 GLY 67 36.159 -6.191 -9.686 485 2HA GLY 67 HA3 GLY 67 35.698 -7.713 -8.900 486 H LEU 68 H LEU 68 33.584 -5.702 -10.946 487 HA LEU 68 HA LEU 68 33.435 -7.864 -13.006 488 1HB LEU 68 HB2 LEU 68 31.341 -5.811 -12.174 489 2HB LEU 68 HB3 LEU 68 31.138 -7.030 -13.430 490 HG LEU 68 HG LEU 68 31.532 -7.628 -10.503 491 1HD1 LEU 68 HD11 LEU 68 29.157 -8.270 -10.514 492 2HD1 LEU 68 HD12 LEU 68 29.340 -6.576 -10.989 493 3HD1 LEU 68 HD13 LEU 68 29.025 -7.811 -12.226 494 1HD2 LEU 68 HD21 LEU 68 30.827 -9.500 -12.808 495 2HD2 LEU 68 HD22 LEU 68 32.367 -9.465 -11.929 496 3HD2 LEU 68 HD23 LEU 68 30.894 -9.938 -11.086 497 H ASN 69 H ASN 69 32.163 -6.496 -14.938 498 HA ASN 69 HA ASN 69 34.255 -4.766 -16.100 499 1HB ASN 69 HB2 ASN 69 32.950 -6.459 -17.454 500 2HB ASN 69 HB3 ASN 69 31.493 -5.499 -17.189 501 1HD2 ASN 69 HD22 ASN 69 31.450 -3.209 -18.178 502 2HD2 ASN 69 HD21 ASN 69 32.463 -2.955 -19.567 503 HA PRO 70 HA PRO 70 32.371 -0.912 -14.565 504 1HB PRO 70 HB2 PRO 70 32.948 -0.068 -17.414 505 2HB PRO 70 HB3 PRO 70 33.118 0.885 -15.905 506 1HG PRO 70 HG2 PRO 70 35.297 -0.285 -16.979 507 2HG PRO 70 HG3 PRO 70 35.011 -0.436 -15.214 508 1HD PRO 70 HD2 PRO 70 34.466 -2.470 -17.376 509 2HD PRO 70 HD3 PRO 70 35.147 -2.711 -15.739 510 H GLY 71 H GLY 71 30.283 -0.214 -14.456 511 1HA GLY 71 HA2 GLY 71 28.141 0.278 -15.111 512 2HA GLY 71 HA3 GLY 71 28.525 -0.192 -16.770 513 H GLU 72 H GLU 72 29.414 -2.869 -14.839 514 HA GLU 72 HA GLU 72 27.023 -4.372 -15.417 515 1HB GLU 72 HB2 GLU 72 29.527 -4.806 -13.761 516 2HB GLU 72 HB3 GLU 72 28.160 -5.875 -13.524 517 1HG GLU 72 HG2 GLU 72 29.140 -5.362 -16.344 518 2HG GLU 72 HG3 GLU 72 29.985 -6.503 -15.301 519 H ILE 73 H ILE 73 25.427 -5.003 -13.994 520 HA ILE 73 HA ILE 73 24.981 -3.270 -11.609 521 HB ILE 73 HB ILE 73 23.007 -4.228 -13.737 522 1HG1 ILE 73 HG12 ILE 73 23.783 -1.341 -13.186 523 2HG1 ILE 73 HG13 ILE 73 24.571 -2.305 -14.425 524 1HG2 ILE 73 HG21 ILE 73 21.879 -4.133 -11.609 525 2HG2 ILE 73 HG22 ILE 73 22.672 -2.601 -11.199 526 3HG2 ILE 73 HG23 ILE 73 21.421 -2.668 -12.462 527 1HD1 ILE 73 HD11 ILE 73 21.610 -1.637 -14.393 528 2HD1 ILE 73 HD12 ILE 73 22.853 -0.954 -15.441 529 3HD1 ILE 73 HD13 ILE 73 22.439 -2.666 -15.585 530 H ARG 74 H ARG 74 24.345 -4.432 -9.750 531 HA ARG 74 HA ARG 74 23.177 -7.130 -10.108 532 1HB ARG 74 HB2 ARG 74 25.587 -6.622 -8.335 533 2HB ARG 74 HB3 ARG 74 24.616 -8.086 -8.340 534 1HG ARG 74 HG2 ARG 74 26.222 -7.111 -10.727 535 2HG ARG 74 HG3 ARG 74 26.776 -8.299 -9.550 536 1HD ARG 74 HD2 ARG 74 24.912 -9.802 -10.132 537 2HD ARG 74 HD3 ARG 74 24.323 -8.653 -11.332 538 HE ARG 74 HE ARG 74 26.612 -10.473 -11.513 539 1HH1 ARG 74 HH21 ARG 74 25.101 -7.584 -12.988 540 2HH1 ARG 74 HH22 ARG 74 26.056 -7.690 -14.446 541 1HH2 ARG 74 HH11 ARG 74 27.839 -10.579 -13.429 542 2HH2 ARG 74 HH12 ARG 74 27.669 -9.341 -14.661 543 H ILE 75 H ILE 75 21.952 -7.787 -8.305 544 HA ILE 75 HA ILE 75 21.100 -5.669 -6.408 545 HB ILE 75 HB ILE 75 20.243 -8.586 -6.749 546 1HG1 ILE 75 HG12 ILE 75 19.607 -7.403 -8.737 547 2HG1 ILE 75 HG13 ILE 75 18.185 -7.716 -7.767 548 1HG2 ILE 75 HG21 ILE 75 18.236 -7.896 -5.407 549 2HG2 ILE 75 HG22 ILE 75 19.743 -7.899 -4.490 550 3HG2 ILE 75 HG23 ILE 75 19.062 -6.361 -5.053 551 1HD1 ILE 75 HD11 ILE 75 18.087 -5.475 -8.725 552 2HD1 ILE 75 HD12 ILE 75 18.200 -5.357 -6.957 553 3HD1 ILE 75 HD13 ILE 75 19.633 -5.048 -7.971 554 H ILE 76 H ILE 76 21.603 -5.834 -4.130 555 HA ILE 76 HA ILE 76 23.679 -7.864 -3.435 556 HB ILE 76 HB ILE 76 23.854 -4.981 -2.550 557 1HG1 ILE 76 HG12 ILE 76 25.338 -6.195 -4.932 558 2HG1 ILE 76 HG13 ILE 76 24.025 -5.025 -5.075 559 1HG2 ILE 76 HG21 ILE 76 25.042 -6.894 -1.314 560 2HG2 ILE 76 HG22 ILE 76 25.955 -7.198 -2.789 561 3HG2 ILE 76 HG23 ILE 76 26.137 -5.661 -1.927 562 1HD1 ILE 76 HD11 ILE 76 25.261 -3.292 -4.002 563 2HD1 ILE 76 HD12 ILE 76 26.626 -4.405 -3.658 564 3HD1 ILE 76 HD13 ILE 76 26.231 -3.994 -5.322 565 H ASP 77 H ASP 77 23.134 -8.966 -1.660 566 HA ASP 77 HA ASP 77 20.784 -8.301 -0.079 567 1HB ASP 77 HB2 ASP 77 21.367 -10.619 -0.679 568 2HB ASP 77 HB3 ASP 77 22.898 -10.480 0.190 569 HA PRO 78 HA PRO 78 22.875 -5.773 2.968 570 1HB PRO 78 HB2 PRO 78 21.231 -7.369 4.937 571 2HB PRO 78 HB3 PRO 78 21.554 -5.604 4.918 572 1HG PRO 78 HG2 PRO 78 19.227 -6.545 3.918 573 2HG PRO 78 HG3 PRO 78 20.138 -5.292 3.015 574 1HD PRO 78 HD2 PRO 78 19.994 -8.243 2.476 575 2HD PRO 78 HD3 PRO 78 20.007 -6.867 1.331 576 H ASP 79 H ASP 79 22.895 -9.294 3.567 577 HA ASP 79 HA ASP 79 24.969 -9.186 5.595 578 1HB ASP 79 HB2 ASP 79 23.412 -11.089 5.367 579 2HB ASP 79 HB3 ASP 79 24.082 -11.453 3.771 580 H ASP 80 H ASP 80 24.948 -9.020 2.117 581 HA ASP 80 HA ASP 80 27.827 -9.690 1.868 582 1HB ASP 80 HB2 ASP 80 26.150 -10.819 0.413 583 2HB ASP 80 HB3 ASP 80 25.680 -9.249 -0.238 584 H ILE 81 H ILE 81 25.506 -7.038 1.484 585 HA ILE 81 HA ILE 81 27.108 -4.993 0.412 586 HB ILE 81 HB ILE 81 24.987 -4.945 2.589 587 1HG1 ILE 81 HG12 ILE 81 24.887 -4.161 -0.354 588 2HG1 ILE 81 HG13 ILE 81 24.224 -5.625 0.351 589 1HG2 ILE 81 HG21 ILE 81 25.997 -2.451 1.181 590 2HG2 ILE 81 HG22 ILE 81 24.737 -2.559 2.408 591 3HG2 ILE 81 HG23 ILE 81 26.407 -2.886 2.848 592 1HD1 ILE 81 HD11 ILE 81 23.211 -2.813 0.615 593 2HD1 ILE 81 HD12 ILE 81 22.352 -4.300 0.144 594 3HD1 ILE 81 HD13 ILE 81 22.787 -4.028 1.830 595 H ALA 82 H ALA 82 26.990 -6.306 3.679 596 HA ALA 82 HA ALA 82 28.464 -4.487 5.117 597 1HB ALA 82 HB1 ALA 82 28.831 -6.359 6.681 598 2HB ALA 82 HB2 ALA 82 27.182 -6.421 6.020 599 3HB ALA 82 HB3 ALA 82 28.443 -7.516 5.390 600 H GLU 83 H GLU 83 29.773 -6.648 2.693 601 HA GLU 83 HA GLU 83 32.535 -5.845 3.536 602 1HB GLU 83 HB2 GLU 83 31.638 -8.517 2.386 603 2HB GLU 83 HB3 GLU 83 33.320 -7.995 2.553 604 1HG GLU 83 HG2 GLU 83 32.976 -7.746 5.022 605 2HG GLU 83 HG3 GLU 83 31.342 -8.391 4.840 606 H MET 84 H MET 84 30.270 -6.560 0.874 607 HA MET 84 HA MET 84 32.208 -6.070 -1.164 608 1HB MET 84 HB2 MET 84 29.165 -6.098 -1.217 609 2HB MET 84 HB3 MET 84 30.127 -5.745 -2.655 610 1HG MET 84 HG2 MET 84 30.425 -8.261 -0.983 611 2HG MET 84 HG3 MET 84 29.512 -8.131 -2.486 612 1HE MET 84 HE1 MET 84 30.814 -10.253 -3.330 613 2HE MET 84 HE2 MET 84 32.588 -10.353 -3.456 614 3HE MET 84 HE3 MET 84 31.812 -10.291 -1.858 615 H PHE 85 H PHE 85 30.199 -3.770 0.654 616 HA PHE 85 HA PHE 85 30.647 -1.663 -1.283 617 1HB PHE 85 HB2 PHE 85 29.587 -1.754 1.536 618 2HB PHE 85 HB3 PHE 85 30.132 -0.224 0.840 619 HD1 PHE 85 HD1 PHE 85 28.533 1.072 -0.225 620 HD2 PHE 85 HD2 PHE 85 28.152 -3.226 -0.378 621 HE1 PHE 85 HE1 PHE 85 26.670 1.279 -1.851 622 HE2 PHE 85 HE2 PHE 85 26.253 -3.000 -1.915 623 HZ PHE 85 HZ PHE 85 25.599 -0.782 -2.756 624 H MET 86 H MET 86 32.365 -2.612 1.719 625 HA MET 86 HA MET 86 34.362 -0.549 1.208 626 1HB MET 86 HB2 MET 86 35.481 -1.282 3.161 627 2HB MET 86 HB3 MET 86 33.765 -1.087 3.491 628 1HG MET 86 HG2 MET 86 33.417 -3.518 3.435 629 2HG MET 86 HG3 MET 86 35.064 -3.779 2.866 630 1HE MET 86 HE1 MET 86 32.751 -3.137 5.942 631 2HE MET 86 HE2 MET 86 33.897 -2.626 7.198 632 3HE MET 86 HE3 MET 86 33.558 -1.552 5.827 633 H MET 87 H MET 87 33.825 -3.245 -0.577 634 HA MET 87 HA MET 87 36.468 -4.309 -0.890 635 1HB MET 87 HB2 MET 87 34.272 -5.223 -1.842 636 2HB MET 87 HB3 MET 87 34.357 -3.938 -3.052 637 1HG MET 87 HG2 MET 87 35.209 -5.985 -3.988 638 2HG MET 87 HG3 MET 87 36.514 -4.819 -3.842 639 1HE MET 87 HE1 MET 87 34.930 -8.154 -2.561 640 2HE MET 87 HE2 MET 87 36.010 -8.642 -1.239 641 3HE MET 87 HE3 MET 87 34.929 -7.252 -1.026 642 H THR 88 H THR 88 34.880 -1.334 -1.882 643 HA THR 88 HA THR 88 36.774 -0.251 -3.712 644 HB THR 88 HB THR 88 35.720 1.900 -2.942 645 HG1 THR 88 HG1 THR 88 33.975 0.434 -1.286 646 1HG2 THR 88 HG21 THR 88 33.685 -0.324 -3.437 647 2HG2 THR 88 HG22 THR 88 33.397 1.425 -3.580 648 3HG2 THR 88 HG23 THR 88 34.539 0.630 -4.674 649 H THR 89 H THR 89 37.174 -1.034 -0.384 650 HA THR 89 HA THR 89 38.415 -0.405 1.314 651 HB THR 89 HB THR 89 40.432 0.820 -0.594 652 HG1 THR 89 HG1 THR 89 39.695 -1.225 -1.368 653 1HG2 THR 89 HG21 THR 89 42.067 -0.224 0.959 654 2HG2 THR 89 HG22 THR 89 41.035 0.924 1.812 655 3HG2 THR 89 HG23 THR 89 40.732 -0.817 1.975 656 H HIS 90 H HIS 90 36.257 1.348 0.414 657 HA HIS 90 HA HIS 90 37.089 3.881 1.707 658 1HB HIS 90 HB2 HIS 90 37.668 4.116 -0.670 659 2HB HIS 90 HB3 HIS 90 36.044 3.609 -1.135 660 HD1 HIS 90 HD1 HIS 90 37.735 6.585 0.732 661 HD2 HIS 90 HD2 HIS 90 34.201 5.488 -1.283 662 HE1 HIS 90 HE1 HIS 90 36.319 8.693 0.567 663 H ASN 91 H ASN 91 34.348 2.374 -0.155 664 HA ASN 91 HA ASN 91 32.463 4.172 0.972 665 1HB ASN 91 HB2 ASN 91 32.352 2.719 -1.215 666 2HB ASN 91 HB3 ASN 91 31.644 1.490 -0.163 667 1HD2 ASN 91 HD22 ASN 91 30.177 2.495 -2.301 668 2HD2 ASN 91 HD21 ASN 91 28.885 3.522 -1.741 669 H MET 92 H MET 92 30.755 3.780 2.464 670 HA MET 92 HA MET 92 31.589 2.323 4.826 671 1HB MET 92 HB2 MET 92 29.033 3.810 4.065 672 2HB MET 92 HB3 MET 92 29.261 3.024 5.626 673 1HG MET 92 HG2 MET 92 31.056 5.213 4.522 674 2HG MET 92 HG3 MET 92 29.736 5.473 5.653 675 1HE MET 92 HE1 MET 92 30.982 3.971 8.996 676 2HE MET 92 HE2 MET 92 29.746 4.942 8.168 677 3HE MET 92 HE3 MET 92 29.887 3.202 7.831 678 HA PRO 93 HA PRO 93 29.311 -1.474 3.834 679 1HB PRO 93 HB2 PRO 93 29.081 -2.610 6.299 680 2HB PRO 93 HB3 PRO 93 30.648 -2.443 5.458 681 1HG PRO 93 HG2 PRO 93 29.482 -0.615 7.582 682 2HG PRO 93 HG3 PRO 93 31.119 -1.344 7.531 683 1HD PRO 93 HD2 PRO 93 30.606 1.194 6.646 684 2HD PRO 93 HD3 PRO 93 31.835 0.156 5.867 685 H LEU 94 H LEU 94 27.671 0.169 3.210 686 HA LEU 94 HA LEU 94 25.894 1.499 4.690 687 1HB LEU 94 HB2 LEU 94 26.094 0.617 1.890 688 2HB LEU 94 HB3 LEU 94 24.431 0.945 2.360 689 HG LEU 94 HG LEU 94 26.697 2.893 2.943 690 1HD1 LEU 94 HD11 LEU 94 26.053 4.147 0.955 691 2HD1 LEU 94 HD12 LEU 94 26.569 2.522 0.507 692 3HD1 LEU 94 HD13 LEU 94 24.839 2.920 0.531 693 1HD2 LEU 94 HD21 LEU 94 24.890 4.554 3.127 694 2HD2 LEU 94 HD22 LEU 94 23.674 3.315 2.745 695 3HD2 LEU 94 HD23 LEU 94 24.590 3.231 4.256 696 H ASN 95 H ASN 95 25.684 -1.859 4.639 697 HA ASN 95 HA ASN 95 22.938 -2.309 5.121 698 1HB ASN 95 HB2 ASN 95 23.522 -4.379 5.805 699 2HB ASN 95 HB3 ASN 95 25.009 -3.992 4.964 700 1HD2 ASN 95 HD22 ASN 95 26.648 -2.635 6.739 701 2HD2 ASN 95 HD21 ASN 95 26.798 -3.557 8.205 702 H TYR 96 H TYR 96 25.303 -0.596 7.126 703 HA TYR 96 HA TYR 96 24.008 -0.833 9.624 704 1HB TYR 96 HB2 TYR 96 25.270 1.007 10.330 705 2HB TYR 96 HB3 TYR 96 26.283 0.198 9.154 706 HD1 TYR 96 HD1 TYR 96 24.228 3.199 9.879 707 HD2 TYR 96 HD2 TYR 96 26.873 1.339 7.030 708 HE1 TYR 96 HE1 TYR 96 24.382 5.329 8.647 709 HE2 TYR 96 HE2 TYR 96 26.991 3.465 5.755 710 HH TYR 96 HH TYR 96 25.292 6.438 6.799 711 H LEU 97 H LEU 97 23.186 1.196 6.800 712 HA LEU 97 HA LEU 97 21.202 2.787 8.230 713 1HB LEU 97 HB2 LEU 97 22.322 3.646 6.266 714 2HB LEU 97 HB3 LEU 97 21.751 2.322 5.260 715 HG LEU 97 HG LEU 97 19.627 3.908 6.677 716 1HD1 LEU 97 HD11 LEU 97 21.181 5.030 4.308 717 2HD1 LEU 97 HD12 LEU 97 19.695 5.723 5.006 718 3HD1 LEU 97 HD13 LEU 97 21.184 5.689 5.958 719 1HD2 LEU 97 HD21 LEU 97 19.904 2.892 3.808 720 2HD2 LEU 97 HD22 LEU 97 18.978 2.103 5.100 721 3HD2 LEU 97 HD23 LEU 97 18.469 3.678 4.492 722 H ILE 98 H ILE 98 21.202 -0.094 6.101 723 HA ILE 98 HA ILE 98 18.406 -0.406 5.945 724 HB ILE 98 HB ILE 98 20.637 -2.480 5.796 725 1HG1 ILE 98 HG12 ILE 98 19.202 -0.894 3.618 726 2HG1 ILE 98 HG13 ILE 98 20.853 -0.614 4.166 727 1HG2 ILE 98 HG21 ILE 98 18.958 -3.849 4.478 728 2HG2 ILE 98 HG22 ILE 98 18.583 -3.680 6.180 729 3HG2 ILE 98 HG23 ILE 98 17.711 -2.699 4.994 730 1HD1 ILE 98 HD11 ILE 98 21.087 -1.801 2.171 731 2HD1 ILE 98 HD12 ILE 98 21.398 -2.992 3.447 732 3HD1 ILE 98 HD13 ILE 98 19.833 -2.975 2.585 733 H ASP 99 H ASP 99 20.763 -1.720 8.339 734 HA ASP 99 HA ASP 99 18.984 -3.393 9.697 735 1HB ASP 99 HB2 ASP 99 21.415 -3.420 10.009 736 2HB ASP 99 HB3 ASP 99 21.375 -1.809 10.727 737 H GLN 100 H GLN 100 19.112 0.093 9.792 738 HA GLN 100 HA GLN 100 17.636 0.309 12.346 739 1HB GLN 100 HB2 GLN 100 18.580 2.374 10.311 740 2HB GLN 100 HB3 GLN 100 17.730 2.766 11.805 741 1HG GLN 100 HG2 GLN 100 19.524 1.887 13.171 742 2HG GLN 100 HG3 GLN 100 20.359 1.225 11.768 743 1HE2 GLN 100 HE22 GLN 100 21.764 2.510 10.617 744 2HE2 GLN 100 HE21 GLN 100 22.022 4.224 10.941 745 H LEU 101 H LEU 101 16.849 -0.266 9.081 746 HA LEU 101 HA LEU 101 14.160 1.043 9.262 747 1HB LEU 101 HB2 LEU 101 16.344 0.964 7.222 748 2HB LEU 101 HB3 LEU 101 14.747 0.671 6.581 749 HG LEU 101 HG LEU 101 13.916 2.791 7.267 750 1HD1 LEU 101 HD11 LEU 101 16.536 3.283 8.734 751 2HD1 LEU 101 HD12 LEU 101 15.278 4.499 8.405 752 3HD1 LEU 101 HD13 LEU 101 14.920 3.138 9.468 753 1HD2 LEU 101 HD21 LEU 101 15.297 2.773 5.221 754 2HD2 LEU 101 HD22 LEU 101 15.456 4.326 6.068 755 3HD2 LEU 101 HD23 LEU 101 16.748 3.117 6.185 756 H LYS 102 H LYS 102 15.908 -1.897 8.350 757 HA LYS 102 HA LYS 102 13.818 -3.282 7.092 758 1HB LYS 102 HB2 LYS 102 15.170 -5.206 7.328 759 2HB LYS 102 HB3 LYS 102 16.306 -3.856 7.213 760 1HG LYS 102 HG2 LYS 102 16.589 -3.893 9.690 761 2HG LYS 102 HG3 LYS 102 15.475 -5.270 9.778 762 1HD LYS 102 HD2 LYS 102 16.991 -6.600 8.317 763 2HD LYS 102 HD3 LYS 102 18.107 -5.234 8.251 764 1HE LYS 102 HE2 LYS 102 18.933 -6.804 9.882 765 2HE LYS 102 HE3 LYS 102 18.401 -5.348 10.725 766 1HZ LYS 102 HZ1 LYS 102 16.406 -6.498 11.415 767 2HZ LYS 102 HZ2 LYS 102 16.801 -7.834 10.528 768 3HZ LYS 102 HZ3 LYS 102 17.702 -7.401 11.815 769 H GLU 103 H GLU 103 14.185 -2.536 10.461 770 HA GLU 103 HA GLU 103 12.593 -4.645 11.542 771 1HB GLU 103 HB2 GLU 103 13.301 -1.879 12.609 772 2HB GLU 103 HB3 GLU 103 12.582 -3.173 13.569 773 1HG GLU 103 HG2 GLU 103 15.328 -3.236 12.249 774 2HG GLU 103 HG3 GLU 103 15.000 -2.986 13.957 775 H ASP 104 H ASP 104 11.707 -1.928 9.634 776 HA ASP 104 HA ASP 104 8.859 -2.117 10.541 777 1HB ASP 104 HB2 ASP 104 9.818 -0.095 11.504 778 2HB ASP 104 HB3 ASP 104 10.482 0.380 9.939 779 H ILE 105 H ILE 105 11.148 -1.321 7.866 780 HA ILE 105 HA ILE 105 9.035 -1.148 5.898 781 HB ILE 105 HB ILE 105 12.053 -1.465 5.601 782 1HG1 ILE 105 HG12 ILE 105 10.244 0.989 5.530 783 2HG1 ILE 105 HG13 ILE 105 11.456 0.615 6.754 784 1HG2 ILE 105 HG21 ILE 105 10.903 -2.224 3.581 785 2HG2 ILE 105 HG22 ILE 105 9.915 -0.752 3.532 786 3HG2 ILE 105 HG23 ILE 105 11.663 -0.697 3.241 787 1HD1 ILE 105 HD11 ILE 105 12.429 2.265 5.375 788 2HD1 ILE 105 HD12 ILE 105 13.220 0.740 4.925 789 3HD1 ILE 105 HD13 ILE 105 11.961 1.439 3.890 790 H GLY 106 H GLY 106 8.360 -2.743 4.516 791 1HA GLY 106 HA2 GLY 106 8.322 -5.423 5.495 792 2HA GLY 106 HA3 GLY 106 7.691 -4.845 3.945 793 H GLU 107 H GLU 107 10.084 -3.892 2.671 794 HA GLU 107 HA GLU 107 12.063 -6.055 2.828 795 1HB GLU 107 HB2 GLU 107 10.303 -6.792 1.206 796 2HB GLU 107 HB3 GLU 107 10.474 -5.261 0.340 797 1HG GLU 107 HG2 GLU 107 11.649 -7.029 -0.834 798 2HG GLU 107 HG3 GLU 107 12.785 -5.824 -0.242 799 H VAL 108 H VAL 108 14.116 -5.272 2.304 800 HA VAL 108 HA VAL 108 14.334 -2.528 1.196 801 HB VAL 108 HB VAL 108 15.925 -3.569 3.576 802 1HG1 VAL 108 HG11 VAL 108 17.258 -2.044 2.245 803 2HG1 VAL 108 HG12 VAL 108 15.900 -0.925 2.051 804 3HG1 VAL 108 HG13 VAL 108 16.672 -1.121 3.636 805 1HG2 VAL 108 HG21 VAL 108 13.643 -3.053 4.309 806 2HG2 VAL 108 HG22 VAL 108 14.794 -1.865 4.928 807 3HG2 VAL 108 HG23 VAL 108 13.759 -1.450 3.548 808 H ILE 109 H ILE 109 15.604 -2.585 -0.539 809 HA ILE 109 HA ILE 109 17.478 -4.878 -0.962 810 HB ILE 109 HB ILE 109 15.495 -3.504 -2.824 811 1HG1 ILE 109 HG12 ILE 109 15.534 -6.488 -2.284 812 2HG1 ILE 109 HG13 ILE 109 14.811 -5.442 -1.084 813 1HG2 ILE 109 HG21 ILE 109 17.477 -4.078 -4.163 814 2HG2 ILE 109 HG22 ILE 109 17.489 -5.719 -3.475 815 3HG2 ILE 109 HG23 ILE 109 16.179 -5.200 -4.546 816 1HD1 ILE 109 HD11 ILE 109 13.238 -4.515 -2.673 817 2HD1 ILE 109 HD12 ILE 109 13.957 -5.504 -3.989 818 3HD1 ILE 109 HD13 ILE 109 13.118 -6.279 -2.629 819 H PHE 110 H PHE 110 19.307 -4.346 -2.357 820 HA PHE 110 HA PHE 110 19.808 -1.463 -2.769 821 1HB PHE 110 HB2 PHE 110 21.020 -2.626 -0.733 822 2HB PHE 110 HB3 PHE 110 22.057 -3.309 -1.984 823 HD1 PHE 110 HD1 PHE 110 21.732 -0.689 0.310 824 HD2 PHE 110 HD2 PHE 110 23.010 -1.431 -3.738 825 HE1 PHE 110 HE1 PHE 110 22.935 1.468 0.286 826 HE2 PHE 110 HE2 PHE 110 24.008 0.820 -3.832 827 HZ PHE 110 HZ PHE 110 24.000 2.278 -1.807 828 H LEU 111 H LEU 111 20.764 -1.061 -4.760 829 HA LEU 111 HA LEU 111 21.537 -3.371 -6.476 830 1HB LEU 111 HB2 LEU 111 19.415 -2.486 -7.206 831 2HB LEU 111 HB3 LEU 111 20.009 -0.825 -7.167 832 HG LEU 111 HG LEU 111 21.393 -2.859 -8.918 833 1HD1 LEU 111 HD11 LEU 111 18.983 -3.112 -9.415 834 2HD1 LEU 111 HD12 LEU 111 18.835 -1.359 -9.652 835 3HD1 LEU 111 HD13 LEU 111 19.820 -2.342 -10.758 836 1HD2 LEU 111 HD21 LEU 111 20.863 0.142 -9.202 837 2HD2 LEU 111 HD22 LEU 111 22.432 -0.608 -8.836 838 3HD2 LEU 111 HD23 LEU 111 21.699 -0.849 -10.401 839 H GLY 112 H GLY 112 23.604 -3.189 -7.178 840 1HA GLY 112 HA2 GLY 112 25.061 -0.623 -6.675 841 2HA GLY 112 HA3 GLY 112 25.770 -2.219 -6.484 842 H ILE 113 H ILE 113 26.688 -0.108 -8.196 843 HA ILE 113 HA ILE 113 26.518 -1.424 -10.859 844 HB ILE 113 HB ILE 113 26.628 1.559 -10.263 845 1HG1 ILE 113 HG12 ILE 113 24.343 0.020 -11.574 846 2HG1 ILE 113 HG13 ILE 113 24.351 0.515 -9.878 847 1HG2 ILE 113 HG21 ILE 113 26.471 1.849 -12.718 848 2HG2 ILE 113 HG22 ILE 113 27.902 0.936 -12.299 849 3HG2 ILE 113 HG23 ILE 113 26.486 0.079 -12.932 850 1HD1 ILE 113 HD11 ILE 113 23.099 2.153 -11.016 851 2HD1 ILE 113 HD12 ILE 113 24.670 2.881 -10.615 852 3HD1 ILE 113 HD13 ILE 113 24.327 2.348 -12.282 853 H GLN 114 H GLN 114 28.549 -1.963 -11.589 854 HA GLN 114 HA GLN 114 30.883 -1.616 -10.025 855 1HB GLN 114 HB2 GLN 114 30.573 -3.457 -11.594 856 2HB GLN 114 HB3 GLN 114 30.492 -2.333 -12.947 857 1HG GLN 114 HG2 GLN 114 32.670 -3.381 -12.879 858 2HG GLN 114 HG3 GLN 114 32.863 -1.674 -12.557 859 1HE2 GLN 114 HE22 GLN 114 34.277 -1.247 -10.851 860 2HE2 GLN 114 HE21 GLN 114 34.638 -2.421 -9.567 861 HA PRO 115 HA PRO 115 31.893 2.535 -11.728 862 1HB PRO 115 HB2 PRO 115 33.683 3.349 -9.883 863 2HB PRO 115 HB3 PRO 115 31.941 3.258 -9.492 864 1HG PRO 115 HG2 PRO 115 34.090 1.190 -8.896 865 2HG PRO 115 HG3 PRO 115 32.885 1.887 -7.763 866 1HD PRO 115 HD2 PRO 115 32.488 -0.490 -9.069 867 2HD PRO 115 HD3 PRO 115 31.154 0.624 -8.675 868 H ASP 116 H ASP 116 33.948 3.504 -12.355 869 HA ASP 116 HA ASP 116 36.309 1.734 -12.759 870 1HB ASP 116 HB2 ASP 116 34.982 1.851 -14.872 871 2HB ASP 116 HB3 ASP 116 35.058 3.615 -14.804 872 H ILE 117 H ILE 117 34.877 5.011 -12.417 873 HA ILE 117 HA ILE 117 37.554 6.106 -11.770 874 HB ILE 117 HB ILE 117 36.223 6.620 -14.069 875 1HG1 ILE 117 HG12 ILE 117 38.427 7.348 -13.659 876 2HG1 ILE 117 HG13 ILE 117 37.443 8.638 -14.343 877 1HG2 ILE 117 HG21 ILE 117 35.159 8.869 -13.980 878 2HG2 ILE 117 HG22 ILE 117 34.202 7.577 -13.244 879 3HG2 ILE 117 HG23 ILE 117 35.078 8.754 -12.237 880 1HD1 ILE 117 HD11 ILE 117 38.273 8.348 -11.410 881 2HD1 ILE 117 HD12 ILE 117 38.906 9.514 -12.575 882 3HD1 ILE 117 HD13 ILE 117 37.212 9.628 -12.039 883 H VAL 118 H VAL 118 37.597 6.922 -9.674 884 HA VAL 118 HA VAL 118 35.140 8.033 -8.513 885 HB VAL 118 HB VAL 118 36.722 5.774 -7.224 886 1HG1 VAL 118 HG11 VAL 118 36.038 7.406 -5.520 887 2HG1 VAL 118 HG12 VAL 118 34.378 7.407 -6.151 888 3HG1 VAL 118 HG13 VAL 118 35.046 5.956 -5.373 889 1HG2 VAL 118 HG21 VAL 118 33.819 5.820 -8.162 890 2HG2 VAL 118 HG22 VAL 118 35.136 4.832 -8.835 891 3HG2 VAL 118 HG23 VAL 118 34.563 4.527 -7.198 892 H GLY 119 H GLY 119 35.676 9.836 -7.419 893 1HA GLY 119 HA2 GLY 119 37.592 10.514 -5.679 894 2HA GLY 119 HA3 GLY 119 38.484 10.692 -7.206 895 H PHE 120 H PHE 120 37.657 12.873 -5.353 896 HA PHE 120 HA PHE 120 35.315 14.167 -6.317 897 1HB PHE 120 HB2 PHE 120 37.751 15.271 -4.868 898 2HB PHE 120 HB3 PHE 120 36.277 16.174 -5.173 899 HD1 PHE 120 HD1 PHE 120 34.015 15.105 -4.335 900 HD2 PHE 120 HD2 PHE 120 37.925 14.086 -2.804 901 HE1 PHE 120 HE1 PHE 120 32.985 14.274 -2.238 902 HE2 PHE 120 HE2 PHE 120 36.883 13.265 -0.708 903 HZ PHE 120 HZ PHE 120 34.413 13.359 -0.420 904 H TYR 121 H TYR 121 35.032 15.819 -7.627 905 HA TYR 121 HA TYR 121 35.119 17.082 -9.432 906 1HB TYR 121 HB2 TYR 121 38.100 17.402 -8.977 907 2HB TYR 121 HB3 TYR 121 37.060 18.430 -9.949 908 HD1 TYR 121 HD1 TYR 121 38.337 17.787 -6.617 909 HD2 TYR 121 HD2 TYR 121 35.162 19.730 -8.801 910 HE1 TYR 121 HE1 TYR 121 37.813 19.161 -4.623 911 HE2 TYR 121 HE2 TYR 121 34.635 21.114 -6.821 912 HH TYR 121 HH TYR 121 35.181 21.615 -4.608 913 H TYR 122 H TYR 122 34.969 14.405 -9.852 914 HA TYR 122 HA TYR 122 36.136 14.286 -12.577 915 1HB TYR 122 HB2 TYR 122 35.980 12.013 -10.576 916 2HB TYR 122 HB3 TYR 122 35.939 11.726 -12.300 917 HD1 TYR 122 HD1 TYR 122 38.070 12.854 -9.514 918 HD2 TYR 122 HD2 TYR 122 37.869 12.028 -13.737 919 HE1 TYR 122 HE1 TYR 122 40.535 12.971 -9.635 920 HE2 TYR 122 HE2 TYR 122 40.341 12.156 -13.885 921 HH TYR 122 HH TYR 122 42.413 12.817 -11.016 922 HA PRO 123 HA PRO 123 31.739 13.642 -13.393 923 1HB PRO 123 HB2 PRO 123 31.813 13.049 -16.041 924 2HB PRO 123 HB3 PRO 123 32.176 14.697 -15.439 925 1HG PRO 123 HG2 PRO 123 34.142 12.500 -16.158 926 2HG PRO 123 HG3 PRO 123 34.164 14.217 -16.681 927 1HD PRO 123 HD2 PRO 123 35.633 13.281 -14.558 928 2HD PRO 123 HD3 PRO 123 34.953 14.937 -14.588 929 H MET 124 H MET 124 30.377 11.816 -14.033 930 HA MET 124 HA MET 124 31.398 9.161 -13.405 931 1HB MET 124 HB2 MET 124 29.134 9.925 -12.810 932 2HB MET 124 HB3 MET 124 28.768 10.275 -14.504 933 1HG MET 124 HG2 MET 124 29.005 7.843 -15.018 934 2HG MET 124 HG3 MET 124 29.217 7.520 -13.306 935 1HE MET 124 HE1 MET 124 27.135 9.557 -11.891 936 2HE MET 124 HE2 MET 124 25.724 8.496 -11.814 937 3HE MET 124 HE3 MET 124 27.343 7.837 -11.470 938 H THR 125 H THR 125 31.856 7.582 -14.918 939 HA THR 125 HA THR 125 32.538 8.446 -17.632 940 HB THR 125 HB THR 125 33.311 6.047 -17.823 941 HG1 THR 125 HG1 THR 125 32.569 5.986 -15.071 942 1HG2 THR 125 HG21 THR 125 34.982 7.641 -17.404 943 2HG2 THR 125 HG22 THR 125 34.528 7.816 -15.712 944 3HG2 THR 125 HG23 THR 125 35.269 6.305 -16.278 945 H GLN 126 H GLN 126 31.785 7.353 -19.544 946 HA GLN 126 HA GLN 126 29.092 7.373 -19.904 947 1HB GLN 126 HB2 GLN 126 31.046 7.431 -21.556 948 2HB GLN 126 HB3 GLN 126 30.976 5.674 -21.580 949 1HG GLN 126 HG2 GLN 126 28.696 7.577 -22.289 950 2HG GLN 126 HG3 GLN 126 29.769 6.823 -23.457 951 1HE2 GLN 126 HE22 GLN 126 26.708 6.600 -22.507 952 2HE2 GLN 126 HE21 GLN 126 26.440 4.878 -22.615 953 HA PRO 127 HA PRO 127 28.584 2.683 -19.699 954 1HB PRO 127 HB2 PRO 127 30.161 1.096 -18.079 955 2HB PRO 127 HB3 PRO 127 30.445 1.391 -19.818 956 1HG PRO 127 HG2 PRO 127 31.754 2.733 -17.456 957 2HG PRO 127 HG3 PRO 127 32.508 2.160 -18.972 958 1HD PRO 127 HD2 PRO 127 31.851 4.757 -18.501 959 2HD PRO 127 HD3 PRO 127 31.785 4.059 -20.147 960 H ILE 128 H ILE 128 29.613 4.441 -16.747 961 HA ILE 128 HA ILE 128 27.631 2.993 -15.144 962 HB ILE 128 HB ILE 128 29.499 5.281 -14.495 963 1HG1 ILE 128 HG12 ILE 128 30.392 3.633 -12.849 964 2HG1 ILE 128 HG13 ILE 128 29.268 2.418 -13.422 965 1HG2 ILE 128 HG21 ILE 128 28.719 5.196 -12.186 966 2HG2 ILE 128 HG22 ILE 128 27.331 5.523 -13.207 967 3HG2 ILE 128 HG23 ILE 128 27.566 3.900 -12.565 968 1HD1 ILE 128 HD11 ILE 128 30.452 2.146 -15.462 969 2HD1 ILE 128 HD12 ILE 128 31.369 3.653 -15.211 970 3HD1 ILE 128 HD13 ILE 128 31.687 2.240 -14.198 971 H LYS 129 H LYS 129 27.908 6.117 -16.863 972 HA LYS 129 HA LYS 129 25.347 7.149 -16.103 973 1HB LYS 129 HB2 LYS 129 26.836 7.411 -18.758 974 2HB LYS 129 HB3 LYS 129 25.337 8.251 -18.378 975 1HG LYS 129 HG2 LYS 129 26.406 9.415 -16.506 976 2HG LYS 129 HG3 LYS 129 27.938 8.582 -16.842 977 1HD LYS 129 HD2 LYS 129 28.080 9.615 -19.050 978 2HD LYS 129 HD3 LYS 129 26.481 10.369 -18.836 979 1HE LYS 129 HE2 LYS 129 27.326 11.645 -16.898 980 2HE LYS 129 HE3 LYS 129 28.915 10.891 -17.080 981 1HZ LYS 129 HZ1 LYS 129 29.113 11.967 -19.244 982 2HZ LYS 129 HZ2 LYS 129 27.635 12.652 -19.094 983 3HZ LYS 129 HZ3 LYS 129 28.843 13.088 -18.094 984 H ASP 130 H ASP 130 26.254 4.942 -18.777 985 HA ASP 130 HA ASP 130 23.632 4.492 -19.749 986 1HB ASP 130 HB2 ASP 130 25.626 3.853 -21.001 987 2HB ASP 130 HB3 ASP 130 26.076 2.684 -19.760 988 H ALA 131 H ALA 131 25.486 2.775 -17.219 989 HA ALA 131 HA ALA 131 23.537 0.802 -16.668 990 1HB ALA 131 HB1 ALA 131 24.674 0.571 -14.484 991 2HB ALA 131 HB2 ALA 131 25.841 0.684 -15.824 992 3HB ALA 131 HB3 ALA 131 25.542 2.085 -14.773 993 H VAL 132 H VAL 132 24.010 4.053 -15.113 994 HA VAL 132 HA VAL 132 21.823 3.819 -13.325 995 HB VAL 132 HB VAL 132 23.244 6.213 -14.560 996 1HG1 VAL 132 HG11 VAL 132 21.037 6.153 -12.479 997 2HG1 VAL 132 HG12 VAL 132 22.171 7.503 -12.622 998 3HG1 VAL 132 HG13 VAL 132 21.096 7.108 -13.972 999 1HG2 VAL 132 HG21 VAL 132 23.297 5.080 -11.723 1000 2HG2 VAL 132 HG22 VAL 132 24.551 4.788 -12.944 1001 3HG2 VAL 132 HG23 VAL 132 24.266 6.428 -12.355 1002 H GLU 133 H GLU 133 21.933 5.003 -16.751 1003 HA GLU 133 HA GLU 133 19.154 5.695 -16.753 1004 1HB GLU 133 HB2 GLU 133 20.863 6.578 -18.309 1005 2HB GLU 133 HB3 GLU 133 20.932 5.009 -19.126 1006 1HG GLU 133 HG2 GLU 133 18.662 5.206 -19.887 1007 2HG GLU 133 HG3 GLU 133 18.306 6.504 -18.747 1008 H THR 134 H THR 134 20.852 2.614 -17.298 1009 HA THR 134 HA THR 134 18.540 1.208 -18.327 1010 HB THR 134 HB THR 134 21.015 0.110 -16.924 1011 HG1 THR 134 HG1 THR 134 21.582 1.355 -18.718 1012 1HG2 THR 134 HG21 THR 134 20.549 -1.919 -18.263 1013 2HG2 THR 134 HG22 THR 134 19.209 -1.565 -17.165 1014 3HG2 THR 134 HG23 THR 134 19.061 -1.169 -18.890 1015 H VAL 135 H VAL 135 19.919 1.715 -15.027 1016 HA VAL 135 HA VAL 135 17.981 0.144 -13.640 1017 HB VAL 135 HB VAL 135 19.676 2.536 -12.806 1018 1HG1 VAL 135 HG11 VAL 135 17.971 0.707 -11.063 1019 2HG1 VAL 135 HG12 VAL 135 19.253 1.781 -10.453 1020 3HG1 VAL 135 HG13 VAL 135 17.835 2.472 -11.236 1021 1HG2 VAL 135 HG21 VAL 135 19.968 -0.436 -12.195 1022 2HG2 VAL 135 HG22 VAL 135 20.888 0.414 -13.438 1023 3HG2 VAL 135 HG23 VAL 135 21.091 0.879 -11.755 1024 H TYR 136 H TYR 136 18.038 3.674 -14.426 1025 HA TYR 136 HA TYR 136 15.503 4.347 -13.397 1026 1HB TYR 136 HB2 TYR 136 16.951 6.109 -14.027 1027 2HB TYR 136 HB3 TYR 136 17.402 5.347 -15.521 1028 HD1 TYR 136 HD1 TYR 136 14.828 7.478 -13.922 1029 HD2 TYR 136 HD2 TYR 136 16.271 5.686 -17.575 1030 HE1 TYR 136 HE1 TYR 136 13.468 9.071 -15.251 1031 HE2 TYR 136 HE2 TYR 136 14.879 7.233 -18.903 1032 HH TYR 136 HH TYR 136 13.380 9.006 -18.848 1033 H GLN 137 H GLN 137 16.269 2.847 -16.615 1034 HA GLN 137 HA GLN 137 13.507 2.936 -17.477 1035 1HB GLN 137 HB2 GLN 137 15.902 1.262 -18.298 1036 2HB GLN 137 HB3 GLN 137 14.304 1.031 -19.014 1037 1HG GLN 137 HG2 GLN 137 14.248 3.229 -19.935 1038 2HG GLN 137 HG3 GLN 137 15.608 3.777 -18.960 1039 1HE2 GLN 137 HE22 GLN 137 17.740 3.107 -19.476 1040 2HE2 GLN 137 HE21 GLN 137 18.150 2.467 -21.065 1041 H ARG 138 H ARG 138 15.451 0.515 -15.700 1042 HA ARG 138 HA ARG 138 13.404 -1.464 -15.499 1043 1HB ARG 138 HB2 ARG 138 16.073 -1.033 -14.360 1044 2HB ARG 138 HB3 ARG 138 14.967 -1.533 -13.098 1045 1HG ARG 138 HG2 ARG 138 15.847 -3.525 -13.898 1046 2HG ARG 138 HG3 ARG 138 14.246 -3.464 -14.624 1047 1HD ARG 138 HD2 ARG 138 15.171 -2.802 -16.773 1048 2HD ARG 138 HD3 ARG 138 16.768 -2.504 -16.048 1049 HE ARG 138 HE ARG 138 15.979 -5.187 -15.524 1050 1HH1 ARG 138 HH21 ARG 138 17.120 -3.209 -18.249 1051 2HH1 ARG 138 HH22 ARG 138 17.954 -4.508 -19.020 1052 1HH2 ARG 138 HH11 ARG 138 17.041 -6.896 -16.543 1053 2HH2 ARG 138 HH12 ARG 138 17.890 -6.675 -18.030 1054 H LEU 139 H LEU 139 13.923 1.481 -13.589 1055 HA LEU 139 HA LEU 139 12.338 0.856 -11.373 1056 1HB LEU 139 HB2 LEU 139 13.041 3.440 -12.751 1057 2HB LEU 139 HB3 LEU 139 11.731 3.459 -11.594 1058 HG LEU 139 HG LEU 139 13.136 2.660 -9.824 1059 1HD1 LEU 139 HD11 LEU 139 14.842 1.350 -11.111 1060 2HD1 LEU 139 HD12 LEU 139 15.554 2.917 -11.580 1061 3HD1 LEU 139 HD13 LEU 139 15.493 2.437 -9.881 1062 1HD2 LEU 139 HD21 LEU 139 14.205 5.046 -11.341 1063 2HD2 LEU 139 HD22 LEU 139 12.908 5.038 -10.127 1064 3HD2 LEU 139 HD23 LEU 139 14.578 4.687 -9.646 1065 H GLU 140 H GLU 140 11.190 1.394 -14.661 1066 HA GLU 140 HA GLU 140 8.503 2.083 -13.888 1067 1HB GLU 140 HB2 GLU 140 9.599 2.679 -16.033 1068 2HB GLU 140 HB3 GLU 140 9.620 0.980 -16.499 1069 1HG GLU 140 HG2 GLU 140 7.838 2.251 -17.610 1070 2HG GLU 140 HG3 GLU 140 7.194 0.936 -16.644 1071 H GLY 141 H GLY 141 10.194 -0.937 -13.846 1072 1HA GLY 141 HA2 GLY 141 7.639 -2.443 -13.533 1073 2HA GLY 141 HA3 GLY 141 8.761 -2.898 -14.817 1074 H TRP 142 H TRP 142 10.773 -1.952 -12.323 1075 HA TRP 142 HA TRP 142 11.517 -4.518 -11.410 1076 1HB TRP 142 HB2 TRP 142 13.018 -2.634 -11.256 1077 2HB TRP 142 HB3 TRP 142 11.859 -1.702 -10.323 1078 HD1 TRP 142 HD1 TRP 142 14.682 -4.143 -9.905 1079 HE1 TRP 142 HE1 TRP 142 15.145 -4.547 -7.396 1080 HE3 TRP 142 HE3 TRP 142 10.589 -1.799 -7.877 1081 HZ2 TRP 142 HZ2 TRP 142 14.175 -3.552 -4.921 1082 HZ3 TRP 142 HZ3 TRP 142 10.438 -1.486 -5.444 1083 HH2 TRP 142 HH2 TRP 142 12.209 -2.367 -3.934 1084 H GLU 143 H GLU 143 10.811 -5.742 -9.746 1085 HA GLU 143 HA GLU 143 9.010 -4.600 -7.701 1086 1HB GLU 143 HB2 GLU 143 8.531 -7.190 -9.241 1087 2HB GLU 143 HB3 GLU 143 7.637 -6.737 -7.797 1088 1HG GLU 143 HG2 GLU 143 7.595 -5.239 -10.439 1089 2HG GLU 143 HG3 GLU 143 6.361 -6.323 -9.827 1090 H GLY 144 H GLY 144 11.964 -5.653 -8.016 1091 1HA GLY 144 HA2 GLY 144 12.508 -6.339 -5.467 1092 2HA GLY 144 HA3 GLY 144 12.088 -7.915 -6.161 1093 H ASN 145 H ASN 145 13.111 -7.880 -8.672 1094 HA ASN 145 HA ASN 145 16.039 -7.333 -8.307 1095 1HB ASN 145 HB2 ASN 145 14.572 -9.737 -9.415 1096 2HB ASN 145 HB3 ASN 145 16.139 -9.304 -10.070 1097 1HD2 ASN 145 HD22 ASN 145 17.911 -10.175 -9.105 1098 2HD2 ASN 145 HD21 ASN 145 17.927 -10.813 -7.469 1099 H GLY 146 H GLY 146 13.282 -6.869 -10.456 1100 1HA GLY 146 HA2 GLY 146 13.121 -5.974 -12.567 1101 2HA GLY 146 HA3 GLY 146 14.591 -5.059 -12.189 1102 H GLY 147 H GLY 147 14.566 -8.606 -12.228 1103 1HA GLY 147 HA2 GLY 147 15.431 -10.137 -13.691 1104 2HA GLY 147 HA3 GLY 147 15.627 -8.872 -14.909 1105 H PHE 148 H PHE 148 17.279 -7.490 -12.326 1106 HA PHE 148 HA PHE 148 19.841 -8.286 -13.366 1107 1HB PHE 148 HB2 PHE 148 19.064 -6.735 -10.872 1108 2HB PHE 148 HB3 PHE 148 20.706 -6.924 -11.472 1109 HD1 PHE 148 HD1 PHE 148 20.972 -6.323 -14.102 1110 HD2 PHE 148 HD2 PHE 148 17.952 -4.767 -11.461 1111 HE1 PHE 148 HE1 PHE 148 20.697 -4.339 -15.583 1112 HE2 PHE 148 HE2 PHE 148 17.773 -2.718 -12.864 1113 HZ PHE 148 HZ PHE 148 19.122 -2.518 -14.944 1114 H ALA 149 H ALA 149 21.397 -9.435 -12.374 1115 HA ALA 149 HA ALA 149 20.548 -11.738 -10.783 1116 1HB ALA 149 HB1 ALA 149 23.292 -10.888 -11.834 1117 2HB ALA 149 HB2 ALA 149 22.922 -12.437 -11.051 1118 3HB ALA 149 HB3 ALA 149 22.179 -12.036 -12.609 1119 H GLN 150 H GLN 150 21.472 -12.284 -8.786 1120 HA GLN 150 HA GLN 150 21.973 -9.978 -7.026 1121 1HB GLN 150 HB2 GLN 150 20.171 -11.836 -6.705 1122 2HB GLN 150 HB3 GLN 150 21.495 -12.851 -6.152 1123 1HG GLN 150 HG2 GLN 150 20.761 -10.127 -4.973 1124 2HG GLN 150 HG3 GLN 150 20.131 -11.656 -4.377 1125 1HE2 GLN 150 HE22 GLN 150 22.905 -9.520 -4.420 1126 2HE2 GLN 150 HE21 GLN 150 24.005 -10.593 -3.572 1127 H LEU 151 H LEU 151 24.009 -9.514 -6.441 1128 HA LEU 151 HA LEU 151 26.310 -10.799 -7.373 1129 1HB LEU 151 HB2 LEU 151 26.133 -8.413 -6.634 1130 2HB LEU 151 HB3 LEU 151 25.912 -8.951 -4.975 1131 HG LEU 151 HG LEU 151 28.223 -9.958 -5.030 1132 1HD1 LEU 151 HD11 LEU 151 28.463 -10.300 -7.483 1133 2HD1 LEU 151 HD12 LEU 151 28.415 -8.543 -7.730 1134 3HD1 LEU 151 HD13 LEU 151 29.762 -9.288 -6.848 1135 1HD2 LEU 151 HD21 LEU 151 27.859 -7.738 -4.099 1136 2HD2 LEU 151 HD22 LEU 151 29.391 -7.749 -4.984 1137 3HD2 LEU 151 HD23 LEU 151 27.940 -7.001 -5.702 1138 H ALA 152 H ALA 152 27.284 -12.630 -6.692 1139 HA ALA 152 HA ALA 152 27.100 -13.513 -3.863 1140 1HB ALA 152 HB1 ALA 152 26.568 -15.800 -4.608 1141 2HB ALA 152 HB2 ALA 152 25.294 -14.656 -5.070 1142 3HB ALA 152 HB3 ALA 152 26.449 -15.239 -6.292 1143 H VAL 153 H VAL 153 29.230 -12.336 -4.227 1144 HA VAL 153 HA VAL 153 31.426 -12.188 -4.645 1145 HB VAL 153 HB VAL 153 31.475 -15.145 -4.019 1146 1HG1 VAL 153 HG11 VAL 153 33.390 -12.872 -3.272 1147 2HG1 VAL 153 HG12 VAL 153 33.575 -14.579 -2.817 1148 3HG1 VAL 153 HG13 VAL 153 33.706 -14.102 -4.508 1149 1HG2 VAL 153 HG21 VAL 153 31.121 -12.832 -2.067 1150 2HG2 VAL 153 HG22 VAL 153 29.992 -14.177 -2.348 1151 3HG2 VAL 153 HG23 VAL 153 31.552 -14.491 -1.605 1152 H GLU 154 H GLU 154 30.059 -12.193 -6.942 1153 HA GLU 154 HA GLU 154 31.211 -13.972 -8.948 1154 1HB GLU 154 HB2 GLU 154 28.901 -12.812 -8.957 1155 2HB GLU 154 HB3 GLU 154 29.768 -11.315 -9.336 1156 1HG GLU 154 HG2 GLU 154 30.717 -12.475 -11.369 1157 2HG GLU 154 HG3 GLU 154 29.736 -13.889 -10.973 1158 H GLU 155 H GLU 155 32.678 -13.092 -10.657 1159 HA GLU 155 HA GLU 155 33.804 -10.475 -10.411 1160 1HB GLU 155 HB2 GLU 155 36.151 -11.143 -10.278 1161 2HB GLU 155 HB3 GLU 155 35.290 -11.569 -8.805 1162 1HG GLU 155 HG2 GLU 155 35.144 -13.941 -9.586 1163 2HG GLU 155 HG3 GLU 155 36.033 -13.502 -11.046 1164 H GLU 156 H GLU 156 35.056 -10.002 -12.415 1165 HA GLU 156 HA GLU 156 35.133 -12.048 -14.505 1166 1HB GLU 156 HB2 GLU 156 32.848 -11.103 -14.745 1167 2HB GLU 156 HB3 GLU 156 33.529 -9.479 -14.910 1168 1HG GLU 156 HG2 GLU 156 34.723 -10.163 -16.957 1169 2HG GLU 156 HG3 GLU 156 34.200 -11.831 -16.737 Start of MODEL 6 1 1H MET 1 H1 MET 1 0.089 2.032 0.964 2 2H MET 1 H2 MET 1 -0.380 1.849 -0.590 3 3H MET 1 H3 MET 1 -0.495 0.587 0.455 4 HA MET 1 HA MET 1 1.882 0.501 0.697 5 1HB MET 1 HB2 MET 1 0.822 -0.921 -1.025 6 2HB MET 1 HB3 MET 1 0.990 0.374 -2.220 7 1HG MET 1 HG2 MET 1 3.444 0.251 -2.032 8 2HG MET 1 HG3 MET 1 3.296 -0.955 -0.752 9 1HE MET 1 HE1 MET 1 4.912 -3.001 -3.642 10 2HE MET 1 HE2 MET 1 5.208 -1.294 -3.248 11 3HE MET 1 HE3 MET 1 5.034 -2.492 -1.944 12 H THR 2 H THR 2 3.862 1.479 0.496 13 HA THR 2 HA THR 2 4.176 3.786 -1.336 14 HB THR 2 HB THR 2 5.122 3.779 1.559 15 HG1 THR 2 HG1 THR 2 3.470 5.143 2.010 16 1HG2 THR 2 HG21 THR 2 6.504 5.179 0.066 17 2HG2 THR 2 HG22 THR 2 5.044 5.962 -0.576 18 3HG2 THR 2 HG23 THR 2 5.521 6.208 1.117 19 H ASP 3 H ASP 3 6.206 3.752 -2.309 20 HA ASP 3 HA ASP 3 8.016 1.474 -1.667 21 1HB ASP 3 HB2 ASP 3 6.281 0.838 -3.326 22 2HB ASP 3 HB3 ASP 3 6.773 2.179 -4.356 23 H VAL 4 H VAL 4 9.826 2.621 -1.115 24 HA VAL 4 HA VAL 4 10.248 5.256 -2.380 25 HB VAL 4 HB VAL 4 11.302 3.954 0.144 26 1HG1 VAL 4 HG11 VAL 4 12.413 6.129 0.659 27 2HG1 VAL 4 HG12 VAL 4 13.163 5.334 -0.722 28 3HG1 VAL 4 HG13 VAL 4 12.050 6.686 -0.992 29 1HG2 VAL 4 HG21 VAL 4 9.004 4.882 0.249 30 2HG2 VAL 4 HG22 VAL 4 10.126 5.869 1.205 31 3HG2 VAL 4 HG23 VAL 4 9.598 6.433 -0.379 32 H LEU 5 H LEU 5 12.116 5.867 -3.329 33 HA LEU 5 HA LEU 5 14.134 3.773 -4.003 34 1HB LEU 5 HB2 LEU 5 12.880 4.494 -6.012 35 2HB LEU 5 HB3 LEU 5 13.170 6.182 -5.606 36 HG LEU 5 HG LEU 5 15.649 5.785 -5.893 37 1HD1 LEU 5 HD11 LEU 5 16.337 3.733 -7.136 38 2HD1 LEU 5 HD12 LEU 5 15.771 3.360 -5.507 39 3HD1 LEU 5 HD13 LEU 5 14.708 3.063 -6.900 40 1HD2 LEU 5 HD21 LEU 5 14.254 6.742 -7.676 41 2HD2 LEU 5 HD22 LEU 5 15.514 5.713 -8.360 42 3HD2 LEU 5 HD23 LEU 5 13.842 5.115 -8.249 43 H LEU 6 H LEU 6 15.913 4.223 -2.762 44 HA LEU 6 HA LEU 6 16.422 7.026 -1.884 45 1HB LEU 6 HB2 LEU 6 16.150 5.501 -0.043 46 2HB LEU 6 HB3 LEU 6 17.272 4.342 -0.772 47 HG LEU 6 HG LEU 6 19.142 5.962 -0.455 48 1HD1 LEU 6 HD11 LEU 6 17.947 8.087 -0.535 49 2HD1 LEU 6 HD12 LEU 6 17.038 7.655 0.934 50 3HD1 LEU 6 HD13 LEU 6 18.791 7.939 1.007 51 1HD2 LEU 6 HD21 LEU 6 19.235 5.782 2.026 52 2HD2 LEU 6 HD22 LEU 6 17.530 5.274 2.025 53 3HD2 LEU 6 HD23 LEU 6 18.754 4.275 1.244 54 H CYS 7 H CYS 7 17.598 7.936 -3.451 55 HA CYS 7 HA CYS 7 19.814 6.532 -4.790 56 1HB CYS 7 HB2 CYS 7 18.803 9.416 -4.716 57 2HB CYS 7 HB3 CYS 7 20.166 8.877 -5.687 58 HG CYS 7 HG CYS 7 17.045 7.745 -5.670 59 H VAL 8 H VAL 8 21.986 6.710 -4.199 60 HA VAL 8 HA VAL 8 22.773 8.596 -2.053 61 HB VAL 8 HB VAL 8 23.481 5.626 -2.159 62 1HG1 VAL 8 HG11 VAL 8 25.290 6.960 -1.188 63 2HG1 VAL 8 HG12 VAL 8 24.141 7.749 -0.081 64 3HG1 VAL 8 HG13 VAL 8 24.496 6.010 0.059 65 1HG2 VAL 8 HG21 VAL 8 21.210 5.724 -1.443 66 2HG2 VAL 8 HG22 VAL 8 22.207 5.420 -0.024 67 3HG2 VAL 8 HG23 VAL 8 21.553 7.052 -0.309 68 H GLY 9 H GLY 9 24.880 9.424 -2.418 69 1HA GLY 9 HA2 GLY 9 27.098 8.632 -3.598 70 2HA GLY 9 HA3 GLY 9 26.084 8.853 -5.032 71 H ASN 10 H ASN 10 28.230 10.443 -5.014 72 HA ASN 10 HA ASN 10 27.097 13.152 -4.435 73 1HB ASN 10 HB2 ASN 10 28.858 12.629 -2.801 74 2HB ASN 10 HB3 ASN 10 29.964 12.207 -4.099 75 1HD2 ASN 10 HD22 ASN 10 31.172 13.936 -2.699 76 2HD2 ASN 10 HD21 ASN 10 30.970 15.601 -3.199 77 H SER 11 H SER 11 26.832 14.242 -6.246 78 HA SER 11 HA SER 11 27.100 13.216 -8.741 79 1HB SER 11 HB2 SER 11 26.956 16.184 -8.168 80 2HB SER 11 HB3 SER 11 26.096 15.254 -9.407 81 HG SER 11 HG SER 11 24.762 15.849 -7.627 82 H MET 12 H MET 12 29.844 14.376 -7.140 83 HA MET 12 HA MET 12 31.170 15.052 -9.710 84 1HB MET 12 HB2 MET 12 32.277 16.969 -8.785 85 2HB MET 12 HB3 MET 12 30.535 17.185 -8.630 86 1HG MET 12 HG2 MET 12 30.657 16.558 -6.240 87 2HG MET 12 HG3 MET 12 32.399 16.280 -6.391 88 1HE MET 12 HE1 MET 12 32.287 19.480 -4.160 89 2HE MET 12 HE2 MET 12 31.170 18.098 -4.124 90 3HE MET 12 HE3 MET 12 32.917 17.828 -4.338 91 H MET 13 H MET 13 31.056 12.795 -7.480 92 HA MET 13 HA MET 13 33.963 12.684 -6.915 93 1HB MET 13 HB2 MET 13 31.510 11.542 -5.640 94 2HB MET 13 HB3 MET 13 33.051 10.669 -5.463 95 1HG MET 13 HG2 MET 13 34.119 12.788 -4.674 96 2HG MET 13 HG3 MET 13 32.540 13.562 -4.729 97 1HE MET 13 HE1 MET 13 33.859 9.976 -3.416 98 2HE MET 13 HE2 MET 13 35.010 11.242 -2.934 99 3HE MET 13 HE3 MET 13 34.043 10.400 -1.703 100 H GLY 14 H GLY 14 32.829 12.282 -9.641 101 1HA GLY 14 HA2 GLY 14 33.484 10.930 -11.367 102 2HA GLY 14 HA3 GLY 14 34.148 9.762 -10.214 103 H ASP 15 H ASP 15 33.168 7.917 -10.848 104 HA ASP 15 HA ASP 15 30.476 7.620 -11.747 105 1HB ASP 15 HB2 ASP 15 32.468 5.647 -10.593 106 2HB ASP 15 HB3 ASP 15 30.917 5.181 -11.264 107 H ASP 16 H ASP 16 31.720 8.084 -8.573 108 HA ASP 16 HA ASP 16 29.854 6.710 -6.953 109 1HB ASP 16 HB2 ASP 16 31.959 7.784 -6.207 110 2HB ASP 16 HB3 ASP 16 31.244 9.367 -6.525 111 H GLY 17 H GLY 17 29.358 9.485 -9.049 112 1HA GLY 17 HA2 GLY 17 27.095 10.610 -7.662 113 2HA GLY 17 HA3 GLY 17 27.568 10.889 -9.343 114 H ALA 18 H ALA 18 26.911 7.542 -8.248 115 HA ALA 18 HA ALA 18 25.281 7.132 -10.545 116 1HB ALA 18 HB1 ALA 18 25.692 5.460 -8.046 117 2HB ALA 18 HB2 ALA 18 24.886 4.903 -9.527 118 3HB ALA 18 HB3 ALA 18 26.605 5.346 -9.568 119 H GLY 19 H GLY 19 24.386 7.220 -7.042 120 1HA GLY 19 HA2 GLY 19 21.585 7.028 -7.428 121 2HA GLY 19 HA3 GLY 19 22.401 7.729 -6.026 122 HA PRO 20 HA PRO 20 21.545 11.890 -7.183 123 1HB PRO 20 HB2 PRO 20 24.292 12.340 -8.383 124 2HB PRO 20 HB3 PRO 20 23.309 13.439 -7.356 125 1HG PRO 20 HG2 PRO 20 25.279 11.923 -6.260 126 2HG PRO 20 HG3 PRO 20 23.713 12.114 -5.411 127 1HD PRO 20 HD2 PRO 20 24.729 9.759 -6.966 128 2HD PRO 20 HD3 PRO 20 23.668 9.810 -5.533 129 H LEU 21 H LEU 21 23.270 10.272 -10.001 130 HA LEU 21 HA LEU 21 21.913 11.974 -11.900 131 1HB LEU 21 HB2 LEU 21 24.023 10.859 -12.438 132 2HB LEU 21 HB3 LEU 21 23.289 9.278 -12.181 133 HG LEU 21 HG LEU 21 21.756 9.666 -14.113 134 1HD1 LEU 21 HD11 LEU 21 23.289 12.290 -14.391 135 2HD1 LEU 21 HD12 LEU 21 22.252 11.600 -15.656 136 3HD1 LEU 21 HD13 LEU 21 21.544 12.098 -14.119 137 1HD2 LEU 21 HD21 LEU 21 23.925 8.555 -14.448 138 2HD2 LEU 21 HD22 LEU 21 23.438 9.474 -15.880 139 3HD2 LEU 21 HD23 LEU 21 24.682 10.124 -14.788 140 H LEU 22 H LEU 22 21.223 8.788 -10.397 141 HA LEU 22 HA LEU 22 18.944 8.184 -12.004 142 1HB LEU 22 HB2 LEU 22 20.132 6.528 -10.566 143 2HB LEU 22 HB3 LEU 22 19.588 7.379 -9.130 144 HG LEU 22 HG LEU 22 17.253 6.905 -9.652 145 1HD1 LEU 22 HD11 LEU 22 18.403 5.471 -12.101 146 2HD1 LEU 22 HD12 LEU 22 16.767 5.190 -11.486 147 3HD1 LEU 22 HD13 LEU 22 17.206 6.790 -12.079 148 1HD2 LEU 22 HD21 LEU 22 19.040 4.439 -9.771 149 2HD2 LEU 22 HD22 LEU 22 18.540 5.302 -8.297 150 3HD2 LEU 22 HD23 LEU 22 17.336 4.450 -9.279 151 H ALA 23 H ALA 23 19.231 9.766 -8.785 152 HA ALA 23 HA ALA 23 16.527 10.451 -8.413 153 1HB ALA 23 HB1 ALA 23 19.027 11.996 -7.550 154 2HB ALA 23 HB2 ALA 23 17.389 12.247 -6.916 155 3HB ALA 23 HB3 ALA 23 18.220 10.722 -6.613 156 H GLU 24 H GLU 24 19.062 12.251 -10.248 157 HA GLU 24 HA GLU 24 17.444 14.534 -10.782 158 1HB GLU 24 HB2 GLU 24 19.804 14.663 -11.110 159 2HB GLU 24 HB3 GLU 24 19.820 13.289 -12.220 160 1HG GLU 24 HG2 GLU 24 18.655 14.516 -13.929 161 2HG GLU 24 HG3 GLU 24 18.341 15.870 -12.833 162 H LYS 25 H LYS 25 17.972 11.538 -12.649 163 HA LYS 25 HA LYS 25 16.222 12.202 -14.811 164 1HB LYS 25 HB2 LYS 25 17.231 9.594 -13.627 165 2HB LYS 25 HB3 LYS 25 16.176 9.629 -15.055 166 1HG LYS 25 HG2 LYS 25 17.796 10.878 -16.330 167 2HG LYS 25 HG3 LYS 25 18.842 11.095 -14.916 168 1HD LYS 25 HD2 LYS 25 19.191 8.659 -14.761 169 2HD LYS 25 HD3 LYS 25 18.154 8.389 -16.169 170 1HE LYS 25 HE2 LYS 25 20.693 10.090 -16.203 171 2HE LYS 25 HE3 LYS 25 20.662 8.368 -16.608 172 1HZ LYS 25 HZ1 LYS 25 19.172 8.832 -18.418 173 2HZ LYS 25 HZ2 LYS 25 19.135 10.442 -18.074 174 3HZ LYS 25 HZ3 LYS 25 20.519 9.743 -18.587 175 H CYS 26 H CYS 26 15.575 10.383 -11.758 176 HA CYS 26 HA CYS 26 12.822 9.901 -12.354 177 1HB CYS 26 HB2 CYS 26 14.167 10.186 -9.627 178 2HB CYS 26 HB3 CYS 26 12.576 9.469 -9.960 179 HG CYS 26 HG CYS 26 15.558 8.510 -10.993 180 H ALA 27 H ALA 27 14.434 12.646 -10.642 181 HA ALA 27 HA ALA 27 12.048 13.962 -9.914 182 1HB ALA 27 HB1 ALA 27 14.240 14.539 -8.964 183 2HB ALA 27 HB2 ALA 27 14.785 15.149 -10.546 184 3HB ALA 27 HB3 ALA 27 13.471 15.968 -9.681 185 H ALA 28 H ALA 28 13.984 14.100 -12.946 186 HA ALA 28 HA ALA 28 12.473 16.196 -14.147 187 1HB ALA 28 HB1 ALA 28 13.619 15.504 -16.212 188 2HB ALA 28 HB2 ALA 28 14.760 15.590 -14.856 189 3HB ALA 28 HB3 ALA 28 14.170 14.011 -15.427 190 H ALA 29 H ALA 29 12.172 12.659 -14.123 191 HA ALA 29 HA ALA 29 9.462 12.725 -15.261 192 1HB ALA 29 HB1 ALA 29 10.186 11.126 -17.076 193 2HB ALA 29 HB2 ALA 29 10.775 12.789 -17.283 194 3HB ALA 29 HB3 ALA 29 11.875 11.537 -16.679 195 HA PRO 30 HA PRO 30 10.194 9.461 -12.114 196 1HB PRO 30 HB2 PRO 30 7.629 9.220 -11.152 197 2HB PRO 30 HB3 PRO 30 8.751 10.528 -10.674 198 1HG PRO 30 HG2 PRO 30 6.576 10.616 -12.783 199 2HG PRO 30 HG3 PRO 30 6.910 11.808 -11.486 200 1HD PRO 30 HD2 PRO 30 7.806 12.148 -14.034 201 2HD PRO 30 HD3 PRO 30 8.797 12.659 -12.632 202 H LYS 31 H LYS 31 9.209 7.270 -11.756 203 HA LYS 31 HA LYS 31 7.943 6.056 -14.158 204 1HB LYS 31 HB2 LYS 31 10.359 4.999 -12.592 205 2HB LYS 31 HB3 LYS 31 9.475 4.072 -13.789 206 1HG LYS 31 HG2 LYS 31 11.089 6.595 -14.369 207 2HG LYS 31 HG3 LYS 31 11.531 4.925 -14.737 208 1HD LYS 31 HD2 LYS 31 9.321 4.827 -16.089 209 2HD LYS 31 HD3 LYS 31 9.334 6.593 -16.000 210 1HE LYS 31 HE2 LYS 31 11.543 6.645 -17.093 211 2HE LYS 31 HE3 LYS 31 11.598 4.875 -17.097 212 1HZ LYS 31 HZ1 LYS 31 9.572 4.923 -18.492 213 2HZ LYS 31 HZ2 LYS 31 9.674 6.557 -18.591 214 3HZ LYS 31 HZ3 LYS 31 10.859 5.636 -19.233 215 H GLY 32 H GLY 32 7.348 3.673 -13.448 216 1HA GLY 32 HA2 GLY 32 5.794 2.462 -12.249 217 2HA GLY 32 HA3 GLY 32 7.003 2.669 -10.983 218 H ASN 33 H ASN 33 6.053 3.211 -9.136 219 HA ASN 33 HA ASN 33 4.334 5.594 -8.994 220 1HB ASN 33 HB2 ASN 33 2.764 3.632 -9.076 221 2HB ASN 33 HB3 ASN 33 3.570 2.967 -7.652 222 1HD2 ASN 33 HD22 ASN 33 1.788 3.126 -6.200 223 2HD2 ASN 33 HD21 ASN 33 1.076 4.649 -5.737 224 H TRP 34 H TRP 34 7.067 5.341 -8.516 225 HA TRP 34 HA TRP 34 7.722 4.576 -5.821 226 1HB TRP 34 HB2 TRP 34 9.235 6.180 -7.922 227 2HB TRP 34 HB3 TRP 34 9.926 5.582 -6.425 228 HD1 TRP 34 HD1 TRP 34 8.795 4.372 -9.838 229 HE1 TRP 34 HE1 TRP 34 9.775 2.071 -10.309 230 HE3 TRP 34 HE3 TRP 34 10.685 3.366 -5.199 231 HZ2 TRP 34 HZ2 TRP 34 11.611 0.291 -9.008 232 HZ3 TRP 34 HZ3 TRP 34 12.096 1.364 -4.850 233 HH2 TRP 34 HH2 TRP 34 12.624 -0.147 -6.745 234 H VAL 35 H VAL 35 8.816 6.027 -4.342 235 HA VAL 35 HA VAL 35 8.154 8.926 -4.558 236 HB VAL 35 HB VAL 35 8.287 7.292 -1.990 237 1HG1 VAL 35 HG11 VAL 35 7.510 9.432 -0.944 238 2HG1 VAL 35 HG12 VAL 35 9.116 9.586 -1.666 239 3HG1 VAL 35 HG13 VAL 35 7.694 10.247 -2.506 240 1HG2 VAL 35 HG21 VAL 35 5.873 7.896 -1.769 241 2HG2 VAL 35 HG22 VAL 35 5.907 8.546 -3.421 242 3HG2 VAL 35 HG23 VAL 35 6.184 6.815 -3.131 243 H VAL 36 H VAL 36 10.015 9.868 -5.139 244 HA VAL 36 HA VAL 36 12.545 8.470 -4.920 245 HB VAL 36 HB VAL 36 12.010 11.341 -5.806 246 1HG1 VAL 36 HG11 VAL 36 14.249 9.389 -6.526 247 2HG1 VAL 36 HG12 VAL 36 14.041 11.025 -7.190 248 3HG1 VAL 36 HG13 VAL 36 14.407 10.815 -5.479 249 1HG2 VAL 36 HG21 VAL 36 10.562 9.855 -7.163 250 2HG2 VAL 36 HG22 VAL 36 11.874 10.524 -8.112 251 3HG2 VAL 36 HG23 VAL 36 11.967 8.834 -7.545 252 H ILE 37 H ILE 37 14.182 8.854 -3.468 253 HA ILE 37 HA ILE 37 14.156 11.257 -1.755 254 HB ILE 37 HB ILE 37 14.663 8.385 -0.846 255 1HG1 ILE 37 HG12 ILE 37 12.239 9.000 -0.901 256 2HG1 ILE 37 HG13 ILE 37 12.868 8.543 0.671 257 1HG2 ILE 37 HG21 ILE 37 15.058 10.986 0.680 258 2HG2 ILE 37 HG22 ILE 37 15.080 9.374 1.420 259 3HG2 ILE 37 HG23 ILE 37 16.304 9.817 0.237 260 1HD1 ILE 37 HD11 ILE 37 12.345 11.419 -0.171 261 2HD1 ILE 37 HD12 ILE 37 11.254 10.401 0.793 262 3HD1 ILE 37 HD13 ILE 37 12.826 10.850 1.449 263 H ASP 38 H ASP 38 16.307 11.924 -1.357 264 HA ASP 38 HA ASP 38 18.509 10.525 -2.804 265 1HB ASP 38 HB2 ASP 38 17.961 12.266 -4.321 266 2HB ASP 38 HB3 ASP 38 17.782 13.451 -3.020 267 H GLY 39 H GLY 39 19.818 9.931 -1.206 268 1HA GLY 39 HA2 GLY 39 19.797 11.118 1.434 269 2HA GLY 39 HA3 GLY 39 20.839 9.824 0.816 270 H GLY 40 H GLY 40 21.454 11.989 -1.500 271 1HA GLY 40 HA2 GLY 40 23.035 13.535 -1.922 272 2HA GLY 40 HA3 GLY 40 22.540 14.249 -0.370 273 H SER 41 H SER 41 24.157 11.129 -0.843 274 HA SER 41 HA SER 41 26.056 10.229 -0.141 275 1HB SER 41 HB2 SER 41 26.898 12.408 -1.437 276 2HB SER 41 HB3 SER 41 27.519 12.833 0.158 277 HG SER 41 HG SER 41 28.671 10.889 0.165 278 H ALA 42 H ALA 42 24.105 11.759 1.894 279 HA ALA 42 HA ALA 42 25.590 10.806 4.261 280 1HB ALA 42 HB1 ALA 42 25.988 13.251 4.206 281 2HB ALA 42 HB2 ALA 42 24.237 13.542 4.061 282 3HB ALA 42 HB3 ALA 42 24.904 12.817 5.540 283 HA PRO 43 HA PRO 43 21.073 9.825 3.284 284 1HB PRO 43 HB2 PRO 43 21.090 7.090 3.186 285 2HB PRO 43 HB3 PRO 43 21.610 8.095 1.815 286 1HG PRO 43 HG2 PRO 43 23.397 6.861 3.940 287 2HG PRO 43 HG3 PRO 43 23.553 6.730 2.161 288 1HD PRO 43 HD2 PRO 43 24.951 8.596 3.536 289 2HD PRO 43 HD3 PRO 43 24.196 9.013 1.969 290 H GLU 44 H GLU 44 23.257 8.599 5.816 291 HA GLU 44 HA GLU 44 21.263 7.446 7.483 292 1HB GLU 44 HB2 GLU 44 22.888 7.335 9.146 293 2HB GLU 44 HB3 GLU 44 23.695 7.024 7.617 294 1HG GLU 44 HG2 GLU 44 23.800 9.578 9.261 295 2HG GLU 44 HG3 GLU 44 25.065 8.364 9.140 296 H ASN 45 H ASN 45 22.375 10.753 7.061 297 HA ASN 45 HA ASN 45 21.015 11.876 9.308 298 1HB ASN 45 HB2 ASN 45 22.061 13.722 8.652 299 2HB ASN 45 HB3 ASN 45 22.751 12.827 7.313 300 1HD2 ASN 45 HD22 ASN 45 21.634 12.938 5.187 301 2HD2 ASN 45 HD21 ASN 45 20.644 14.341 4.826 302 H ASP 46 H ASP 46 19.883 10.657 6.275 303 HA ASP 46 HA ASP 46 17.408 12.269 6.366 304 1HB ASP 46 HB2 ASP 46 19.054 12.060 4.331 305 2HB ASP 46 HB3 ASP 46 18.255 10.509 4.067 306 H ILE 47 H ILE 47 18.395 9.222 7.378 307 HA ILE 47 HA ILE 47 16.377 7.425 6.765 308 HB ILE 47 HB ILE 47 17.918 7.974 9.317 309 1HG1 ILE 47 HG12 ILE 47 18.063 5.672 7.307 310 2HG1 ILE 47 HG13 ILE 47 19.062 7.116 7.223 311 1HG2 ILE 47 HG21 ILE 47 17.192 5.823 10.254 312 2HG2 ILE 47 HG22 ILE 47 15.819 6.893 10.054 313 3HG2 ILE 47 HG23 ILE 47 16.087 5.580 8.888 314 1HD1 ILE 47 HD11 ILE 47 20.386 5.424 8.259 315 2HD1 ILE 47 HD12 ILE 47 19.947 6.575 9.530 316 3HD1 ILE 47 HD13 ILE 47 19.110 5.007 9.409 317 H VAL 48 H VAL 48 16.173 10.138 9.119 318 HA VAL 48 HA VAL 48 13.661 9.504 10.198 319 HB VAL 48 HB VAL 48 14.831 12.274 9.673 320 1HG1 VAL 48 HG11 VAL 48 13.524 12.958 11.664 321 2HG1 VAL 48 HG12 VAL 48 12.469 12.379 10.372 322 3HG1 VAL 48 HG13 VAL 48 12.816 11.330 11.763 323 1HG2 VAL 48 HG21 VAL 48 15.246 10.388 12.036 324 2HG2 VAL 48 HG22 VAL 48 16.491 10.948 10.895 325 3HG2 VAL 48 HG23 VAL 48 15.738 12.095 11.997 326 H ALA 49 H ALA 49 14.461 11.200 7.131 327 HA ALA 49 HA ALA 49 11.774 12.087 6.656 328 1HB ALA 49 HB1 ALA 49 12.618 12.681 4.430 329 2HB ALA 49 HB2 ALA 49 13.777 13.201 5.676 330 3HB ALA 49 HB3 ALA 49 14.087 11.733 4.712 331 H ILE 50 H ILE 50 13.685 9.221 5.761 332 HA ILE 50 HA ILE 50 11.751 8.079 3.955 333 HB ILE 50 HB ILE 50 13.852 6.713 5.702 334 1HG1 ILE 50 HG12 ILE 50 14.097 7.572 2.781 335 2HG1 ILE 50 HG13 ILE 50 14.795 8.468 4.126 336 1HG2 ILE 50 HG21 ILE 50 12.114 5.166 4.843 337 2HG2 ILE 50 HG22 ILE 50 12.443 5.721 3.188 338 3HG2 ILE 50 HG23 ILE 50 13.680 4.843 4.117 339 1HD1 ILE 50 HD11 ILE 50 16.129 6.448 4.765 340 2HD1 ILE 50 HD12 ILE 50 15.580 5.680 3.255 341 3HD1 ILE 50 HD13 ILE 50 16.541 7.171 3.207 342 H ARG 51 H ARG 51 12.374 7.840 7.503 343 HA ARG 51 HA ARG 51 10.276 5.906 7.889 344 1HB ARG 51 HB2 ARG 51 11.762 7.646 9.896 345 2HB ARG 51 HB3 ARG 51 10.569 6.411 10.321 346 1HG ARG 51 HG2 ARG 51 11.982 4.739 8.960 347 2HG ARG 51 HG3 ARG 51 13.226 5.980 8.902 348 1HD ARG 51 HD2 ARG 51 13.798 4.564 10.695 349 2HD ARG 51 HD3 ARG 51 13.160 6.037 11.449 350 HE ARG 51 HE ARG 51 10.945 4.414 11.214 351 1HH1 ARG 51 HH21 ARG 51 14.137 3.924 12.711 352 2HH1 ARG 51 HH22 ARG 51 13.586 2.622 13.728 353 1HH2 ARG 51 HH11 ARG 51 10.259 2.717 12.565 354 2HH2 ARG 51 HH12 ARG 51 11.322 2.089 13.796 355 H GLU 52 H GLU 52 10.114 9.466 7.776 356 HA GLU 52 HA GLU 52 7.558 9.748 8.955 357 1HB GLU 52 HB2 GLU 52 8.791 11.134 6.539 358 2HB GLU 52 HB3 GLU 52 7.224 11.583 7.186 359 1HG GLU 52 HG2 GLU 52 9.804 11.672 8.792 360 2HG GLU 52 HG3 GLU 52 9.097 13.032 7.936 361 H LEU 53 H LEU 53 8.462 8.318 5.816 362 HA LEU 53 HA LEU 53 5.717 8.218 4.885 363 1HB LEU 53 HB2 LEU 53 8.212 6.932 3.729 364 2HB LEU 53 HB3 LEU 53 6.685 7.189 2.905 365 HG LEU 53 HG LEU 53 8.616 9.364 3.820 366 1HD1 LEU 53 HD11 LEU 53 9.475 8.114 1.938 367 2HD1 LEU 53 HD12 LEU 53 7.932 8.266 1.069 368 3HD1 LEU 53 HD13 LEU 53 8.938 9.703 1.381 369 1HD2 LEU 53 HD21 LEU 53 6.339 10.242 3.928 370 2HD2 LEU 53 HD22 LEU 53 7.175 10.919 2.533 371 3HD2 LEU 53 HD23 LEU 53 5.987 9.615 2.298 372 H ARG 54 H ARG 54 7.527 6.273 6.993 373 HA ARG 54 HA ARG 54 7.882 4.028 7.274 374 1HB ARG 54 HB2 ARG 54 4.878 4.171 7.691 375 2HB ARG 54 HB3 ARG 54 5.985 2.934 8.303 376 1HG ARG 54 HG2 ARG 54 7.255 4.919 9.430 377 2HG ARG 54 HG3 ARG 54 5.781 5.848 9.104 378 1HD ARG 54 HD2 ARG 54 5.491 5.042 11.293 379 2HD ARG 54 HD3 ARG 54 4.540 3.912 10.311 380 HE ARG 54 HE ARG 54 7.369 3.196 10.822 381 1HH1 ARG 54 HH21 ARG 54 4.020 2.699 11.947 382 2HH1 ARG 54 HH22 ARG 54 4.416 1.284 12.851 383 1HH2 ARG 54 HH11 ARG 54 7.878 1.476 11.974 384 2HH2 ARG 54 HH12 ARG 54 6.712 0.525 12.875 385 HA PRO 55 HA PRO 55 6.634 3.116 2.889 386 1HB PRO 55 HB2 PRO 55 9.394 1.906 2.836 387 2HB PRO 55 HB3 PRO 55 8.558 2.864 1.578 388 1HG PRO 55 HG2 PRO 55 10.435 4.035 3.153 389 2HG PRO 55 HG3 PRO 55 8.899 4.889 2.787 390 1HD PRO 55 HD2 PRO 55 9.618 3.400 5.304 391 2HD PRO 55 HD3 PRO 55 8.834 4.975 5.091 392 H THR 56 H THR 56 5.948 1.189 1.861 393 HA THR 56 HA THR 56 5.815 -1.238 3.450 394 HB THR 56 HB THR 56 5.244 -0.966 0.485 395 HG1 THR 56 HG1 THR 56 3.618 -0.050 2.621 396 1HG2 THR 56 HG21 THR 56 3.871 -2.542 2.707 397 2HG2 THR 56 HG22 THR 56 3.393 -2.527 0.995 398 3HG2 THR 56 HG23 THR 56 4.962 -3.204 1.469 399 H ARG 57 H ARG 57 7.743 0.089 0.753 400 HA ARG 57 HA ARG 57 9.729 -2.066 1.083 401 1HB ARG 57 HB2 ARG 57 8.132 -2.930 -0.560 402 2HB ARG 57 HB3 ARG 57 8.251 -1.447 -1.504 403 1HG ARG 57 HG2 ARG 57 10.596 -1.970 -2.078 404 2HG ARG 57 HG3 ARG 57 10.571 -3.372 -0.999 405 1HD ARG 57 HD2 ARG 57 10.299 -4.095 -3.304 406 2HD ARG 57 HD3 ARG 57 8.793 -4.394 -2.411 407 HE ARG 57 HE ARG 57 8.889 -1.799 -3.750 408 1HH1 ARG 57 HH21 ARG 57 8.121 -5.277 -4.320 409 2HH1 ARG 57 HH22 ARG 57 7.127 -4.880 -5.712 410 1HH2 ARG 57 HH11 ARG 57 7.637 -1.458 -5.668 411 2HH2 ARG 57 HH12 ARG 57 6.862 -2.859 -6.436 412 H LEU 58 H LEU 58 11.772 -1.529 0.118 413 HA LEU 58 HA LEU 58 12.184 1.280 -0.759 414 1HB LEU 58 HB2 LEU 58 12.460 1.326 1.639 415 2HB LEU 58 HB3 LEU 58 13.416 -0.158 1.616 416 HG LEU 58 HG LEU 58 15.274 0.999 0.524 417 1HD1 LEU 58 HD11 LEU 58 15.290 3.452 0.337 418 2HD1 LEU 58 HD12 LEU 58 14.060 2.781 -0.724 419 3HD1 LEU 58 HD13 LEU 58 13.586 3.522 0.822 420 1HD2 LEU 58 HD21 LEU 58 15.961 2.359 2.429 421 2HD2 LEU 58 HD22 LEU 58 14.274 2.549 2.952 422 3HD2 LEU 58 HD23 LEU 58 15.055 0.966 3.038 423 H LEU 59 H LEU 59 13.795 1.444 -2.257 424 HA LEU 59 HA LEU 59 15.671 -0.828 -2.682 425 1HB LEU 59 HB2 LEU 59 14.111 -0.795 -4.594 426 2HB LEU 59 HB3 LEU 59 14.348 0.945 -4.776 427 HG LEU 59 HG LEU 59 16.716 0.603 -5.384 428 1HD1 LEU 59 HD11 LEU 59 17.552 -1.663 -5.925 429 2HD1 LEU 59 HD12 LEU 59 17.227 -1.501 -4.205 430 3HD1 LEU 59 HD13 LEU 59 16.076 -2.374 -5.243 431 1HD2 LEU 59 HD21 LEU 59 14.998 0.689 -7.147 432 2HD2 LEU 59 HD22 LEU 59 16.359 -0.344 -7.598 433 3HD2 LEU 59 HD23 LEU 59 14.830 -1.077 -7.073 434 H ILE 60 H ILE 60 17.767 -0.098 -2.584 435 HA ILE 60 HA ILE 60 18.232 2.837 -2.533 436 HB ILE 60 HB ILE 60 19.815 0.632 -1.203 437 1HG1 ILE 60 HG12 ILE 60 17.822 2.414 0.261 438 2HG1 ILE 60 HG13 ILE 60 17.435 0.784 -0.265 439 1HG2 ILE 60 HG21 ILE 60 21.067 2.730 -1.580 440 2HG2 ILE 60 HG22 ILE 60 19.774 3.665 -0.821 441 3HG2 ILE 60 HG23 ILE 60 20.758 2.550 0.142 442 1HD1 ILE 60 HD11 ILE 60 19.230 -0.171 1.027 443 2HD1 ILE 60 HD12 ILE 60 19.639 1.436 1.691 444 3HD1 ILE 60 HD13 ILE 60 18.057 0.712 2.027 445 H VAL 61 H VAL 61 20.028 3.629 -3.782 446 HA VAL 61 HA VAL 61 21.444 1.643 -5.481 447 HB VAL 61 HB VAL 61 20.000 4.097 -6.552 448 1HG1 VAL 61 HG11 VAL 61 21.983 3.622 -7.869 449 2HG1 VAL 61 HG12 VAL 61 21.597 1.889 -7.920 450 3HG1 VAL 61 HG13 VAL 61 20.589 3.066 -8.787 451 1HG2 VAL 61 HG21 VAL 61 18.292 2.465 -6.032 452 2HG2 VAL 61 HG22 VAL 61 18.536 2.483 -7.778 453 3HG2 VAL 61 HG23 VAL 61 19.227 1.169 -6.806 454 H ASP 62 H ASP 62 23.517 2.111 -5.818 455 HA ASP 62 HA ASP 62 24.602 4.751 -6.065 456 1HB ASP 62 HB2 ASP 62 24.571 4.490 -3.582 457 2HB ASP 62 HB3 ASP 62 25.594 3.063 -3.746 458 H ALA 63 H ALA 63 27.134 4.330 -6.404 459 HA ALA 63 HA ALA 63 27.570 1.993 -8.109 460 1HB ALA 63 HB1 ALA 63 28.658 4.154 -8.644 461 2HB ALA 63 HB2 ALA 63 29.477 4.138 -7.063 462 3HB ALA 63 HB3 ALA 63 29.864 2.907 -8.284 463 H THR 64 H THR 64 29.249 0.380 -7.550 464 HA THR 64 HA THR 64 30.141 0.173 -4.760 465 HB THR 64 HB THR 64 28.592 -2.141 -6.001 466 HG1 THR 64 HG1 THR 64 27.593 0.015 -4.531 467 1HG2 THR 64 HG21 THR 64 30.077 -2.714 -4.142 468 2HG2 THR 64 HG22 THR 64 29.366 -1.431 -3.138 469 3HG2 THR 64 HG23 THR 64 28.390 -2.836 -3.615 470 H ASP 65 H ASP 65 32.241 -0.713 -4.857 471 HA ASP 65 HA ASP 65 33.221 -1.587 -7.475 472 1HB ASP 65 HB2 ASP 65 34.683 -0.207 -6.115 473 2HB ASP 65 HB3 ASP 65 34.663 -1.417 -4.819 474 H MET 66 H MET 66 31.955 -3.381 -7.868 475 HA MET 66 HA MET 66 31.773 -5.615 -6.006 476 1HB MET 66 HB2 MET 66 30.823 -5.188 -8.885 477 2HB MET 66 HB3 MET 66 30.446 -6.603 -7.886 478 1HG MET 66 HG2 MET 66 29.424 -5.087 -6.182 479 2HG MET 66 HG3 MET 66 29.666 -3.730 -7.269 480 1HE MET 66 HE1 MET 66 28.853 -4.486 -10.118 481 2HE MET 66 HE2 MET 66 27.101 -4.181 -10.071 482 3HE MET 66 HE3 MET 66 28.215 -3.096 -9.211 483 H GLY 67 H GLY 67 34.180 -4.584 -8.174 484 1HA GLY 67 HA2 GLY 67 36.127 -5.601 -8.847 485 2HA GLY 67 HA3 GLY 67 35.622 -7.120 -8.085 486 H LEU 68 H LEU 68 33.535 -5.376 -10.357 487 HA LEU 68 HA LEU 68 33.791 -7.650 -12.292 488 1HB LEU 68 HB2 LEU 68 31.402 -5.815 -11.928 489 2HB LEU 68 HB3 LEU 68 31.502 -7.283 -12.911 490 HG LEU 68 HG LEU 68 31.565 -7.158 -9.904 491 1HD1 LEU 68 HD11 LEU 68 29.471 -8.223 -11.841 492 2HD1 LEU 68 HD12 LEU 68 29.390 -8.328 -10.070 493 3HD1 LEU 68 HD13 LEU 68 29.339 -6.746 -10.863 494 1HD2 LEU 68 HD21 LEU 68 31.616 -9.627 -11.679 495 2HD2 LEU 68 HD22 LEU 68 32.980 -9.016 -10.713 496 3HD2 LEU 68 HD23 LEU 68 31.537 -9.563 -9.895 497 H ASN 69 H ASN 69 32.445 -6.485 -14.386 498 HA ASN 69 HA ASN 69 34.529 -4.749 -15.543 499 1HB ASN 69 HB2 ASN 69 33.518 -6.650 -16.830 500 2HB ASN 69 HB3 ASN 69 31.945 -5.845 -16.744 501 1HD2 ASN 69 HD22 ASN 69 35.367 -5.246 -17.750 502 2HD2 ASN 69 HD21 ASN 69 34.944 -4.283 -19.162 503 HA PRO 70 HA PRO 70 32.418 -0.939 -14.423 504 1HB PRO 70 HB2 PRO 70 33.144 -0.194 -17.269 505 2HB PRO 70 HB3 PRO 70 33.159 0.830 -15.800 506 1HG PRO 70 HG2 PRO 70 35.460 -0.300 -16.640 507 2HG PRO 70 HG3 PRO 70 35.036 -0.400 -14.898 508 1HD PRO 70 HD2 PRO 70 34.720 -2.515 -17.027 509 2HD PRO 70 HD3 PRO 70 35.290 -2.690 -15.339 510 H GLY 71 H GLY 71 30.329 -0.312 -14.407 511 1HA GLY 71 HA2 GLY 71 28.218 0.159 -15.176 512 2HA GLY 71 HA3 GLY 71 28.660 -0.384 -16.799 513 H GLU 72 H GLU 72 29.532 -2.930 -14.694 514 HA GLU 72 HA GLU 72 27.208 -4.544 -15.253 515 1HB GLU 72 HB2 GLU 72 29.630 -4.755 -13.425 516 2HB GLU 72 HB3 GLU 72 28.291 -5.861 -13.201 517 1HG GLU 72 HG2 GLU 72 29.482 -5.538 -15.971 518 2HG GLU 72 HG3 GLU 72 30.275 -6.546 -14.761 519 H ILE 73 H ILE 73 25.529 -5.041 -13.874 520 HA ILE 73 HA ILE 73 25.033 -3.219 -11.570 521 HB ILE 73 HB ILE 73 23.074 -4.240 -13.683 522 1HG1 ILE 73 HG12 ILE 73 23.874 -1.335 -13.270 523 2HG1 ILE 73 HG13 ILE 73 24.671 -2.368 -14.449 524 1HG2 ILE 73 HG21 ILE 73 21.930 -4.020 -11.577 525 2HG2 ILE 73 HG22 ILE 73 22.766 -2.496 -11.222 526 3HG2 ILE 73 HG23 ILE 73 21.519 -2.574 -12.485 527 1HD1 ILE 73 HD11 ILE 73 22.534 -2.807 -15.589 528 2HD1 ILE 73 HD12 ILE 73 21.718 -1.669 -14.487 529 3HD1 ILE 73 HD13 ILE 73 22.984 -1.099 -15.580 530 H ARG 74 H ARG 74 24.234 -4.320 -9.711 531 HA ARG 74 HA ARG 74 23.161 -7.043 -10.089 532 1HB ARG 74 HB2 ARG 74 25.474 -6.427 -8.213 533 2HB ARG 74 HB3 ARG 74 24.541 -7.906 -8.190 534 1HG ARG 74 HG2 ARG 74 26.221 -7.022 -10.551 535 2HG ARG 74 HG3 ARG 74 26.743 -8.140 -9.291 536 1HD ARG 74 HD2 ARG 74 24.879 -9.670 -9.846 537 2HD ARG 74 HD3 ARG 74 24.372 -8.602 -11.156 538 HE ARG 74 HE ARG 74 26.656 -10.428 -11.041 539 1HH1 ARG 74 HH11 ARG 74 25.291 -7.621 -12.800 540 2HH1 ARG 74 HH12 ARG 74 26.339 -7.831 -14.182 541 1HH2 ARG 74 HH21 ARG 74 27.936 -10.716 -12.856 542 2HH2 ARG 74 HH22 ARG 74 27.967 -9.518 -14.158 543 H ILE 75 H ILE 75 21.858 -7.734 -8.393 544 HA ILE 75 HA ILE 75 20.929 -5.744 -6.402 545 HB ILE 75 HB ILE 75 20.354 -8.731 -6.743 546 1HG1 ILE 75 HG12 ILE 75 19.465 -7.550 -8.647 547 2HG1 ILE 75 HG13 ILE 75 18.159 -8.109 -7.619 548 1HG2 ILE 75 HG21 ILE 75 19.066 -6.697 -4.890 549 2HG2 ILE 75 HG22 ILE 75 18.374 -8.294 -5.259 550 3HG2 ILE 75 HG23 ILE 75 19.931 -8.183 -4.447 551 1HD1 ILE 75 HD11 ILE 75 17.701 -5.861 -8.466 552 2HD1 ILE 75 HD12 ILE 75 17.870 -5.821 -6.701 553 3HD1 ILE 75 HD13 ILE 75 19.195 -5.245 -7.745 554 H ILE 76 H ILE 76 21.527 -5.929 -4.112 555 HA ILE 76 HA ILE 76 23.614 -7.960 -3.490 556 HB ILE 76 HB ILE 76 23.822 -5.141 -2.417 557 1HG1 ILE 76 HG12 ILE 76 25.206 -6.131 -4.948 558 2HG1 ILE 76 HG13 ILE 76 24.002 -4.842 -4.855 559 1HG2 ILE 76 HG21 ILE 76 25.010 -7.123 -1.337 560 2HG2 ILE 76 HG22 ILE 76 25.908 -7.335 -2.842 561 3HG2 ILE 76 HG23 ILE 76 26.108 -5.863 -1.873 562 1HD1 ILE 76 HD11 ILE 76 26.794 -4.731 -3.656 563 2HD1 ILE 76 HD12 ILE 76 26.189 -3.861 -5.058 564 3HD1 ILE 76 HD13 ILE 76 25.539 -3.486 -3.447 565 H ASP 77 H ASP 77 23.313 -8.930 -1.514 566 HA ASP 77 HA ASP 77 20.826 -8.401 -0.016 567 1HB ASP 77 HB2 ASP 77 21.582 -10.733 -0.505 568 2HB ASP 77 HB3 ASP 77 23.063 -10.438 0.396 569 HA PRO 78 HA PRO 78 22.886 -5.727 2.970 570 1HB PRO 78 HB2 PRO 78 21.318 -7.346 4.975 571 2HB PRO 78 HB3 PRO 78 21.603 -5.574 4.939 572 1HG PRO 78 HG2 PRO 78 19.279 -6.553 3.975 573 2HG PRO 78 HG3 PRO 78 20.171 -5.315 3.029 574 1HD PRO 78 HD2 PRO 78 20.070 -8.282 2.574 575 2HD PRO 78 HD3 PRO 78 20.015 -6.936 1.391 576 H ASP 79 H ASP 79 22.984 -9.234 3.648 577 HA ASP 79 HA ASP 79 25.173 -9.031 5.552 578 1HB ASP 79 HB2 ASP 79 23.609 -10.946 5.498 579 2HB ASP 79 HB3 ASP 79 24.191 -11.379 3.886 580 H ASP 80 H ASP 80 24.948 -8.938 2.084 581 HA ASP 80 HA ASP 80 27.792 -9.666 1.689 582 1HB ASP 80 HB2 ASP 80 26.004 -10.762 0.314 583 2HB ASP 80 HB3 ASP 80 25.593 -9.196 -0.367 584 H ILE 81 H ILE 81 25.489 -6.987 1.343 585 HA ILE 81 HA ILE 81 27.106 -4.945 0.252 586 HB ILE 81 HB ILE 81 24.989 -4.903 2.438 587 1HG1 ILE 81 HG12 ILE 81 24.847 -4.100 -0.499 588 2HG1 ILE 81 HG13 ILE 81 24.252 -5.609 0.178 589 1HG2 ILE 81 HG21 ILE 81 25.874 -2.399 0.976 590 2HG2 ILE 81 HG22 ILE 81 24.723 -2.541 2.303 591 3HG2 ILE 81 HG23 ILE 81 26.432 -2.808 2.609 592 1HD1 ILE 81 HD11 ILE 81 22.785 -4.098 1.726 593 2HD1 ILE 81 HD12 ILE 81 23.118 -2.855 0.515 594 3HD1 ILE 81 HD13 ILE 81 22.315 -4.383 0.055 595 H ALA 82 H ALA 82 26.924 -6.235 3.542 596 HA ALA 82 HA ALA 82 28.476 -4.383 4.884 597 1HB ALA 82 HB1 ALA 82 27.098 -6.195 5.916 598 2HB ALA 82 HB2 ALA 82 28.299 -7.386 5.353 599 3HB ALA 82 HB3 ALA 82 28.751 -6.174 6.569 600 H GLU 83 H GLU 83 29.620 -6.848 2.662 601 HA GLU 83 HA GLU 83 32.452 -6.316 3.499 602 1HB GLU 83 HB2 GLU 83 31.265 -8.586 1.847 603 2HB GLU 83 HB3 GLU 83 32.977 -8.361 2.189 604 1HG GLU 83 HG2 GLU 83 30.782 -8.949 4.223 605 2HG GLU 83 HG3 GLU 83 31.989 -10.079 3.632 606 H MET 84 H MET 84 30.146 -6.440 0.795 607 HA MET 84 HA MET 84 32.144 -5.922 -1.175 608 1HB MET 84 HB2 MET 84 29.106 -5.828 -1.276 609 2HB MET 84 HB3 MET 84 30.121 -5.518 -2.690 610 1HG MET 84 HG2 MET 84 30.280 -8.051 -1.013 611 2HG MET 84 HG3 MET 84 29.358 -7.883 -2.497 612 1HE MET 84 HE1 MET 84 30.472 -9.964 -3.571 613 2HE MET 84 HE2 MET 84 32.230 -10.230 -3.652 614 3HE MET 84 HE3 MET 84 31.405 -10.215 -2.076 615 H PHE 85 H PHE 85 30.154 -3.639 0.695 616 HA PHE 85 HA PHE 85 30.873 -1.438 -1.081 617 1HB PHE 85 HB2 PHE 85 29.392 -1.695 1.487 618 2HB PHE 85 HB3 PHE 85 30.308 -0.206 1.297 619 HD1 PHE 85 HD1 PHE 85 29.820 1.413 -0.416 620 HD2 PHE 85 HD2 PHE 85 27.681 -2.329 -0.319 621 HE1 PHE 85 HE1 PHE 85 28.230 2.288 -2.101 622 HE2 PHE 85 HE2 PHE 85 26.070 -1.433 -1.990 623 HZ PHE 85 HZ PHE 85 26.374 0.866 -2.895 624 H MET 86 H MET 86 32.278 -2.755 1.941 625 HA MET 86 HA MET 86 34.440 -0.787 1.771 626 1HB MET 86 HB2 MET 86 35.310 -1.700 3.767 627 2HB MET 86 HB3 MET 86 33.590 -1.394 3.953 628 1HG MET 86 HG2 MET 86 33.092 -3.791 3.624 629 2HG MET 86 HG3 MET 86 34.808 -4.141 3.415 630 1HE MET 86 HE1 MET 86 36.300 -3.713 6.974 631 2HE MET 86 HE2 MET 86 36.583 -4.199 5.289 632 3HE MET 86 HE3 MET 86 36.311 -2.487 5.692 633 H MET 87 H MET 87 33.876 -3.254 -0.249 634 HA MET 87 HA MET 87 36.414 -4.565 -0.425 635 1HB MET 87 HB2 MET 87 34.259 -5.170 -1.633 636 2HB MET 87 HB3 MET 87 34.526 -3.774 -2.681 637 1HG MET 87 HG2 MET 87 35.253 -5.809 -3.773 638 2HG MET 87 HG3 MET 87 36.621 -4.747 -3.487 639 1HE MET 87 HE1 MET 87 35.781 -8.719 -1.208 640 2HE MET 87 HE2 MET 87 34.807 -7.269 -0.897 641 3HE MET 87 HE3 MET 87 34.763 -8.047 -2.499 642 H THR 88 H THR 88 35.272 -1.350 -1.182 643 HA THR 88 HA THR 88 37.385 -0.304 -2.772 644 HB THR 88 HB THR 88 36.514 1.848 -1.765 645 HG1 THR 88 HG1 THR 88 34.438 0.461 -0.506 646 1HG2 THR 88 HG21 THR 88 34.247 1.741 -2.673 647 2HG2 THR 88 HG22 THR 88 35.386 0.918 -3.752 648 3HG2 THR 88 HG23 THR 88 34.304 -0.034 -2.713 649 H THR 89 H THR 89 37.419 -1.456 0.487 650 HA THR 89 HA THR 89 38.613 -1.186 2.306 651 HB THR 89 HB THR 89 40.892 0.054 0.746 652 HG1 THR 89 HG1 THR 89 41.413 -1.902 -0.064 653 1HG2 THR 89 HG21 THR 89 40.784 -2.033 2.983 654 2HG2 THR 89 HG22 THR 89 42.262 -1.420 2.208 655 3HG2 THR 89 HG23 THR 89 41.262 -0.335 3.175 656 H HIS 90 H HIS 90 36.831 1.030 1.282 657 HA HIS 90 HA HIS 90 37.898 3.303 2.909 658 1HB HIS 90 HB2 HIS 90 36.903 3.306 0.037 659 2HB HIS 90 HB3 HIS 90 37.009 4.759 1.019 660 HD1 HIS 90 HD1 HIS 90 40.096 3.084 1.905 661 HD2 HIS 90 HD2 HIS 90 38.588 5.091 -1.472 662 HE1 HIS 90 HE1 HIS 90 42.126 3.890 0.586 663 H ASN 91 H ASN 91 35.029 2.146 0.980 664 HA ASN 91 HA ASN 91 33.357 4.129 2.140 665 1HB ASN 91 HB2 ASN 91 33.076 2.742 -0.085 666 2HB ASN 91 HB3 ASN 91 32.212 1.596 0.943 667 1HD2 ASN 91 HD22 ASN 91 30.156 2.395 2.045 668 2HD2 ASN 91 HD21 ASN 91 29.378 3.805 1.372 669 H MET 92 H MET 92 31.663 3.979 3.654 670 HA MET 92 HA MET 92 31.972 2.231 5.883 671 1HB MET 92 HB2 MET 92 30.901 4.569 5.749 672 2HB MET 92 HB3 MET 92 29.486 3.786 5.043 673 1HG MET 92 HG2 MET 92 29.103 4.138 7.376 674 2HG MET 92 HG3 MET 92 29.289 2.404 7.126 675 1HE MET 92 HE1 MET 92 30.624 2.862 10.744 676 2HE MET 92 HE2 MET 92 29.254 3.681 9.962 677 3HE MET 92 HE3 MET 92 29.542 1.951 9.666 678 HA PRO 93 HA PRO 93 29.742 -1.264 4.056 679 1HB PRO 93 HB2 PRO 93 29.319 -2.835 6.249 680 2HB PRO 93 HB3 PRO 93 30.946 -2.545 5.561 681 1HG PRO 93 HG2 PRO 93 29.646 -1.132 7.906 682 2HG PRO 93 HG3 PRO 93 31.283 -1.861 7.816 683 1HD PRO 93 HD2 PRO 93 30.828 0.796 7.397 684 2HD PRO 93 HD3 PRO 93 32.100 -0.086 6.501 685 H LEU 94 H LEU 94 28.066 0.221 3.471 686 HA LEU 94 HA LEU 94 26.182 1.438 4.888 687 1HB LEU 94 HB2 LEU 94 26.434 0.583 2.071 688 2HB LEU 94 HB3 LEU 94 24.790 0.993 2.540 689 HG LEU 94 HG LEU 94 27.136 2.820 3.184 690 1HD1 LEU 94 HD11 LEU 94 26.517 4.130 1.169 691 2HD1 LEU 94 HD12 LEU 94 27.068 2.502 0.745 692 3HD1 LEU 94 HD13 LEU 94 25.336 2.880 0.716 693 1HD2 LEU 94 HD21 LEU 94 25.394 4.560 3.346 694 2HD2 LEU 94 HD22 LEU 94 24.139 3.388 2.887 695 3HD2 LEU 94 HD23 LEU 94 24.984 3.229 4.432 696 H ASN 95 H ASN 95 26.001 -1.933 4.808 697 HA ASN 95 HA ASN 95 23.222 -2.354 5.132 698 1HB ASN 95 HB2 ASN 95 23.722 -4.426 5.878 699 2HB ASN 95 HB3 ASN 95 25.246 -4.075 5.083 700 1HD2 ASN 95 HD22 ASN 95 26.848 -2.727 6.906 701 2HD2 ASN 95 HD21 ASN 95 26.924 -3.632 8.388 702 H TYR 96 H TYR 96 25.495 -0.701 7.290 703 HA TYR 96 HA TYR 96 24.054 -0.904 9.707 704 1HB TYR 96 HB2 TYR 96 25.318 0.910 10.481 705 2HB TYR 96 HB3 TYR 96 26.375 0.092 9.347 706 HD1 TYR 96 HD1 TYR 96 26.978 1.188 7.194 707 HD2 TYR 96 HD2 TYR 96 24.407 3.149 10.033 708 HE1 TYR 96 HE1 TYR 96 27.174 3.301 5.910 709 HE2 TYR 96 HE2 TYR 96 24.659 5.275 8.810 710 HH TYR 96 HH TYR 96 25.609 6.348 6.925 711 H LEU 97 H LEU 97 23.430 1.124 6.842 712 HA LEU 97 HA LEU 97 21.446 2.803 8.164 713 1HB LEU 97 HB2 LEU 97 22.718 3.600 6.265 714 2HB LEU 97 HB3 LEU 97 22.144 2.296 5.233 715 HG LEU 97 HG LEU 97 19.991 3.927 6.520 716 1HD1 LEU 97 HD11 LEU 97 21.712 5.100 4.311 717 2HD1 LEU 97 HD12 LEU 97 20.219 5.808 4.992 718 3HD1 LEU 97 HD13 LEU 97 21.672 5.666 5.993 719 1HD2 LEU 97 HD21 LEU 97 19.463 2.183 4.813 720 2HD2 LEU 97 HD22 LEU 97 19.000 3.794 4.251 721 3HD2 LEU 97 HD23 LEU 97 20.479 3.033 3.634 722 H ILE 98 H ILE 98 21.445 -0.089 6.070 723 HA ILE 98 HA ILE 98 18.634 -0.309 5.767 724 HB ILE 98 HB ILE 98 20.888 -2.350 5.635 725 1HG1 ILE 98 HG12 ILE 98 19.327 -0.879 3.467 726 2HG1 ILE 98 HG13 ILE 98 20.951 -0.449 4.003 727 1HG2 ILE 98 HG21 ILE 98 17.962 -2.683 4.877 728 2HG2 ILE 98 HG22 ILE 98 19.248 -3.782 4.353 729 3HG2 ILE 98 HG23 ILE 98 18.905 -3.613 6.061 730 1HD1 ILE 98 HD11 ILE 98 20.141 -2.934 2.477 731 2HD1 ILE 98 HD12 ILE 98 21.257 -1.649 2.008 732 3HD1 ILE 98 HD13 ILE 98 21.712 -2.765 3.308 733 H ASP 99 H ASP 99 20.852 -1.649 8.269 734 HA ASP 99 HA ASP 99 19.002 -3.206 9.677 735 1HB ASP 99 HB2 ASP 99 21.404 -3.201 10.126 736 2HB ASP 99 HB3 ASP 99 21.322 -1.539 10.717 737 H GLN 100 H GLN 100 19.298 0.306 9.618 738 HA GLN 100 HA GLN 100 17.587 0.704 11.982 739 1HB GLN 100 HB2 GLN 100 18.904 2.629 10.022 740 2HB GLN 100 HB3 GLN 100 17.937 3.135 11.405 741 1HG GLN 100 HG2 GLN 100 19.491 2.162 12.978 742 2HG GLN 100 HG3 GLN 100 20.419 1.391 11.693 743 1HE2 GLN 100 HE22 GLN 100 21.959 2.561 10.559 744 2HE2 GLN 100 HE21 GLN 100 22.337 4.252 10.896 745 H LEU 101 H LEU 101 16.940 -0.144 8.811 746 HA LEU 101 HA LEU 101 14.325 1.307 8.789 747 1HB LEU 101 HB2 LEU 101 16.277 0.736 6.533 748 2HB LEU 101 HB3 LEU 101 14.596 1.157 6.246 749 HG LEU 101 HG LEU 101 16.557 2.945 7.749 750 1HD1 LEU 101 HD11 LEU 101 16.652 4.289 5.734 751 2HD1 LEU 101 HD12 LEU 101 17.121 2.628 5.338 752 3HD1 LEU 101 HD13 LEU 101 15.503 3.217 4.908 753 1HD2 LEU 101 HD21 LEU 101 13.701 3.396 6.761 754 2HD2 LEU 101 HD22 LEU 101 14.296 3.485 8.433 755 3HD2 LEU 101 HD23 LEU 101 14.784 4.707 7.249 756 H LYS 102 H LYS 102 15.982 -1.789 8.220 757 HA LYS 102 HA LYS 102 13.730 -3.241 7.254 758 1HB LYS 102 HB2 LYS 102 16.113 -3.993 8.991 759 2HB LYS 102 HB3 LYS 102 14.855 -5.172 8.581 760 1HG LYS 102 HG2 LYS 102 15.236 -4.836 6.181 761 2HG LYS 102 HG3 LYS 102 16.414 -3.574 6.521 762 1HD LYS 102 HD2 LYS 102 17.558 -5.661 5.945 763 2HD LYS 102 HD3 LYS 102 17.915 -5.172 7.598 764 1HE LYS 102 HE2 LYS 102 17.634 -7.551 7.541 765 2HE LYS 102 HE3 LYS 102 16.306 -6.850 8.463 766 1HZ LYS 102 HZ1 LYS 102 16.134 -7.769 5.643 767 2HZ LYS 102 HZ2 LYS 102 15.556 -8.571 6.934 768 3HZ LYS 102 HZ3 LYS 102 14.883 -7.153 6.505 769 H GLU 103 H GLU 103 14.449 -2.068 10.516 770 HA GLU 103 HA GLU 103 12.407 -3.507 11.876 771 1HB GLU 103 HB2 GLU 103 12.689 -1.741 13.595 772 2HB GLU 103 HB3 GLU 103 14.202 -2.504 13.094 773 1HG GLU 103 HG2 GLU 103 14.794 -0.559 11.738 774 2HG GLU 103 HG3 GLU 103 13.229 0.191 12.057 775 H ASP 104 H ASP 104 12.126 -1.047 9.533 776 HA ASP 104 HA ASP 104 9.466 -0.148 10.558 777 1HB ASP 104 HB2 ASP 104 11.515 1.401 10.723 778 2HB ASP 104 HB3 ASP 104 11.444 1.523 8.973 779 H ILE 105 H ILE 105 11.071 -1.623 7.909 780 HA ILE 105 HA ILE 105 8.937 -0.882 5.977 781 HB ILE 105 HB ILE 105 11.953 -1.064 5.561 782 1HG1 ILE 105 HG12 ILE 105 10.007 1.272 5.467 783 2HG1 ILE 105 HG13 ILE 105 11.314 1.031 6.622 784 1HG2 ILE 105 HG21 ILE 105 11.543 -0.461 3.205 785 2HG2 ILE 105 HG22 ILE 105 10.816 -1.985 3.607 786 3HG2 ILE 105 HG23 ILE 105 9.791 -0.534 3.481 787 1HD1 ILE 105 HD11 ILE 105 12.083 2.684 5.137 788 2HD1 ILE 105 HD12 ILE 105 12.948 1.197 4.687 789 3HD1 ILE 105 HD13 ILE 105 11.583 1.779 3.708 790 H GLY 106 H GLY 106 8.305 -2.527 4.552 791 1HA GLY 106 HA2 GLY 106 8.329 -5.148 5.679 792 2HA GLY 106 HA3 GLY 106 7.631 -4.647 4.131 793 H GLU 107 H GLU 107 9.992 -3.732 2.737 794 HA GLU 107 HA GLU 107 11.951 -5.907 2.917 795 1HB GLU 107 HB2 GLU 107 10.179 -6.686 1.344 796 2HB GLU 107 HB3 GLU 107 10.330 -5.179 0.434 797 1HG GLU 107 HG2 GLU 107 11.493 -6.983 -0.707 798 2HG GLU 107 HG3 GLU 107 12.625 -5.745 -0.181 799 H VAL 108 H VAL 108 13.987 -5.201 2.282 800 HA VAL 108 HA VAL 108 14.273 -2.442 1.239 801 HB VAL 108 HB VAL 108 15.746 -3.555 3.663 802 1HG1 VAL 108 HG11 VAL 108 17.216 -2.101 2.423 803 2HG1 VAL 108 HG12 VAL 108 15.927 -0.926 2.135 804 3HG1 VAL 108 HG13 VAL 108 16.590 -1.137 3.769 805 1HG2 VAL 108 HG21 VAL 108 13.476 -2.967 4.310 806 2HG2 VAL 108 HG22 VAL 108 14.631 -1.804 4.971 807 3HG2 VAL 108 HG23 VAL 108 13.654 -1.366 3.554 808 H ILE 109 H ILE 109 15.532 -2.545 -0.504 809 HA ILE 109 HA ILE 109 17.380 -4.863 -0.904 810 HB ILE 109 HB ILE 109 15.436 -3.491 -2.812 811 1HG1 ILE 109 HG12 ILE 109 15.342 -6.451 -2.180 812 2HG1 ILE 109 HG13 ILE 109 14.653 -5.341 -1.019 813 1HG2 ILE 109 HG21 ILE 109 17.361 -5.799 -3.365 814 2HG2 ILE 109 HG22 ILE 109 16.075 -5.274 -4.463 815 3HG2 ILE 109 HG23 ILE 109 17.406 -4.185 -4.108 816 1HD1 ILE 109 HD11 ILE 109 13.821 -5.444 -3.929 817 2HD1 ILE 109 HD12 ILE 109 12.941 -6.151 -2.557 818 3HD1 ILE 109 HD13 ILE 109 13.131 -4.397 -2.644 819 H PHE 110 H PHE 110 19.211 -4.354 -2.320 820 HA PHE 110 HA PHE 110 19.731 -1.471 -2.754 821 1HB PHE 110 HB2 PHE 110 20.931 -2.554 -0.703 822 2HB PHE 110 HB3 PHE 110 21.901 -3.394 -1.916 823 HD1 PHE 110 HD1 PHE 110 21.613 -0.467 0.092 824 HD2 PHE 110 HD2 PHE 110 23.132 -1.856 -3.697 825 HE1 PHE 110 HE1 PHE 110 23.011 1.566 -0.100 826 HE2 PHE 110 HE2 PHE 110 24.400 0.244 -3.957 827 HZ PHE 110 HZ PHE 110 24.343 1.968 -2.152 828 H LEU 111 H LEU 111 20.747 -1.087 -4.724 829 HA LEU 111 HA LEU 111 21.546 -3.414 -6.393 830 1HB LEU 111 HB2 LEU 111 19.431 -2.600 -7.181 831 2HB LEU 111 HB3 LEU 111 19.969 -0.921 -7.135 832 HG LEU 111 HG LEU 111 21.496 -2.876 -8.851 833 1HD1 LEU 111 HD11 LEU 111 19.922 -2.480 -10.721 834 2HD1 LEU 111 HD12 LEU 111 19.139 -3.331 -9.393 835 3HD1 LEU 111 HD13 LEU 111 18.836 -1.596 -9.628 836 1HD2 LEU 111 HD21 LEU 111 22.343 -0.542 -8.746 837 2HD2 LEU 111 HD22 LEU 111 21.695 -0.865 -10.332 838 3HD2 LEU 111 HD23 LEU 111 20.734 0.070 -9.181 839 H GLY 112 H GLY 112 23.606 -3.229 -7.071 840 1HA GLY 112 HA2 GLY 112 25.064 -0.661 -6.578 841 2HA GLY 112 HA3 GLY 112 25.774 -2.264 -6.448 842 H ILE 113 H ILE 113 26.662 -0.104 -8.118 843 HA ILE 113 HA ILE 113 26.488 -1.371 -10.803 844 HB ILE 113 HB ILE 113 26.493 1.601 -10.125 845 1HG1 ILE 113 HG12 ILE 113 24.293 0.048 -11.556 846 2HG1 ILE 113 HG13 ILE 113 24.259 0.409 -9.831 847 1HG2 ILE 113 HG21 ILE 113 26.339 1.976 -12.579 848 2HG2 ILE 113 HG22 ILE 113 27.825 1.158 -12.148 849 3HG2 ILE 113 HG23 ILE 113 26.494 0.219 -12.845 850 1HD1 ILE 113 HD11 ILE 113 24.446 2.827 -10.327 851 2HD1 ILE 113 HD12 ILE 113 24.220 2.454 -12.058 852 3HD1 ILE 113 HD13 ILE 113 22.946 2.070 -10.887 853 H GLN 114 H GLN 114 28.551 -1.875 -11.533 854 HA GLN 114 HA GLN 114 30.832 -1.427 -9.885 855 1HB GLN 114 HB2 GLN 114 30.626 -3.365 -11.332 856 2HB GLN 114 HB3 GLN 114 30.554 -2.338 -12.764 857 1HG GLN 114 HG2 GLN 114 32.753 -3.319 -12.548 858 2HG GLN 114 HG3 GLN 114 32.883 -1.588 -12.378 859 1HE2 GLN 114 HE22 GLN 114 34.358 -1.038 -10.778 860 2HE2 GLN 114 HE21 GLN 114 34.689 -2.017 -9.338 861 HA PRO 115 HA PRO 115 31.848 2.655 -11.761 862 1HB PRO 115 HB2 PRO 115 33.682 3.506 -9.972 863 2HB PRO 115 HB3 PRO 115 31.942 3.451 -9.554 864 1HG PRO 115 HG2 PRO 115 34.069 1.374 -8.919 865 2HG PRO 115 HG3 PRO 115 32.890 2.129 -7.794 866 1HD PRO 115 HD2 PRO 115 32.434 -0.281 -8.998 867 2HD PRO 115 HD3 PRO 115 31.120 0.872 -8.654 868 H ASP 116 H ASP 116 33.943 3.598 -12.516 869 HA ASP 116 HA ASP 116 36.178 1.654 -12.869 870 1HB ASP 116 HB2 ASP 116 34.916 1.934 -14.984 871 2HB ASP 116 HB3 ASP 116 35.142 3.675 -14.892 872 H ILE 117 H ILE 117 35.076 5.058 -12.433 873 HA ILE 117 HA ILE 117 37.755 5.670 -11.325 874 HB ILE 117 HB ILE 117 38.063 7.630 -12.466 875 1HG1 ILE 117 HG12 ILE 117 36.225 8.479 -14.193 876 2HG1 ILE 117 HG13 ILE 117 35.115 7.674 -13.085 877 1HG2 ILE 117 HG21 ILE 117 36.783 5.941 -14.646 878 2HG2 ILE 117 HG22 ILE 117 38.011 7.200 -14.842 879 3HG2 ILE 117 HG23 ILE 117 38.422 5.708 -13.984 880 1HD1 ILE 117 HD11 ILE 117 35.347 10.015 -12.519 881 2HD1 ILE 117 HD12 ILE 117 36.158 9.112 -11.230 882 3HD1 ILE 117 HD13 ILE 117 37.118 9.893 -12.496 883 H VAL 118 H VAL 118 37.665 6.755 -9.399 884 HA VAL 118 HA VAL 118 35.178 8.113 -8.602 885 HB VAL 118 HB VAL 118 36.526 5.913 -6.972 886 1HG1 VAL 118 HG11 VAL 118 34.259 7.801 -6.201 887 2HG1 VAL 118 HG12 VAL 118 34.757 6.373 -5.268 888 3HG1 VAL 118 HG13 VAL 118 35.872 7.726 -5.464 889 1HG2 VAL 118 HG21 VAL 118 33.707 6.089 -8.129 890 2HG2 VAL 118 HG22 VAL 118 34.986 4.951 -8.609 891 3HG2 VAL 118 HG23 VAL 118 34.274 4.835 -7.003 892 H GLY 119 H GLY 119 35.681 9.982 -7.579 893 1HA GLY 119 HA2 GLY 119 37.559 10.669 -5.783 894 2HA GLY 119 HA3 GLY 119 38.475 10.821 -7.298 895 H PHE 120 H PHE 120 37.793 13.038 -5.580 896 HA PHE 120 HA PHE 120 35.376 14.314 -6.330 897 1HB PHE 120 HB2 PHE 120 37.963 15.412 -5.138 898 2HB PHE 120 HB3 PHE 120 36.491 16.346 -5.314 899 HD1 PHE 120 HD1 PHE 120 38.128 13.658 -3.376 900 HD2 PHE 120 HD2 PHE 120 34.513 15.951 -3.930 901 HE1 PHE 120 HE1 PHE 120 37.301 12.894 -1.167 902 HE2 PHE 120 HE2 PHE 120 33.703 15.200 -1.707 903 HZ PHE 120 HZ PHE 120 35.090 13.665 -0.326 904 H TYR 121 H TYR 121 35.002 16.054 -7.532 905 HA TYR 121 HA TYR 121 34.881 17.314 -9.339 906 1HB TYR 121 HB2 TYR 121 37.877 17.712 -9.092 907 2HB TYR 121 HB3 TYR 121 36.729 18.764 -9.910 908 HD1 TYR 121 HD1 TYR 121 38.411 18.108 -6.808 909 HD2 TYR 121 HD2 TYR 121 34.791 19.784 -8.457 910 HE1 TYR 121 HE1 TYR 121 38.019 19.334 -4.692 911 HE2 TYR 121 HE2 TYR 121 34.389 21.011 -6.350 912 HH TYR 121 HH TYR 121 35.169 21.474 -4.199 913 H TYR 122 H TYR 122 34.907 14.580 -9.835 914 HA TYR 122 HA TYR 122 36.019 14.562 -12.603 915 1HB TYR 122 HB2 TYR 122 35.653 12.173 -10.770 916 2HB TYR 122 HB3 TYR 122 36.128 12.128 -12.458 917 HD1 TYR 122 HD1 TYR 122 37.479 10.877 -10.016 918 HD2 TYR 122 HD2 TYR 122 38.247 14.459 -12.294 919 HE1 TYR 122 HE1 TYR 122 39.881 10.668 -9.515 920 HE2 TYR 122 HE2 TYR 122 40.642 14.300 -11.748 921 HH TYR 122 HH TYR 122 42.307 13.080 -10.659 922 HA PRO 123 HA PRO 123 31.709 13.745 -13.533 923 1HB PRO 123 HB2 PRO 123 31.829 13.105 -16.152 924 2HB PRO 123 HB3 PRO 123 32.319 14.732 -15.582 925 1HG PRO 123 HG2 PRO 123 34.101 12.351 -16.190 926 2HG PRO 123 HG3 PRO 123 34.290 14.045 -16.748 927 1HD PRO 123 HD2 PRO 123 35.581 12.993 -14.540 928 2HD PRO 123 HD3 PRO 123 35.138 14.725 -14.681 929 H MET 124 H MET 124 30.275 11.966 -14.225 930 HA MET 124 HA MET 124 31.161 9.277 -13.518 931 1HB MET 124 HB2 MET 124 28.892 10.164 -13.042 932 2HB MET 124 HB3 MET 124 28.597 10.356 -14.778 933 1HG MET 124 HG2 MET 124 28.924 7.878 -15.048 934 2HG MET 124 HG3 MET 124 29.067 7.737 -13.300 935 1HE MET 124 HE1 MET 124 27.191 8.239 -11.612 936 2HE MET 124 HE2 MET 124 26.820 9.862 -12.248 937 3HE MET 124 HE3 MET 124 25.519 8.683 -12.039 938 H THR 125 H THR 125 31.650 7.671 -14.993 939 HA THR 125 HA THR 125 32.442 8.489 -17.683 940 HB THR 125 HB THR 125 33.326 6.182 -17.789 941 HG1 THR 125 HG1 THR 125 32.335 5.953 -15.128 942 1HG2 THR 125 HG21 THR 125 35.025 6.312 -16.079 943 2HG2 THR 125 HG22 THR 125 34.754 7.920 -16.782 944 3HG2 THR 125 HG23 THR 125 34.090 7.526 -15.178 945 H GLN 126 H GLN 126 31.780 7.254 -19.620 946 HA GLN 126 HA GLN 126 29.056 7.226 -20.016 947 1HB GLN 126 HB2 GLN 126 30.725 7.455 -21.774 948 2HB GLN 126 HB3 GLN 126 31.262 5.792 -21.535 949 1HG GLN 126 HG2 GLN 126 29.887 5.938 -23.504 950 2HG GLN 126 HG3 GLN 126 29.071 4.953 -22.303 951 1HE2 GLN 126 HE22 GLN 126 27.157 5.887 -21.188 952 2HE2 GLN 126 HE21 GLN 126 26.278 7.199 -21.949 953 HA PRO 127 HA PRO 127 28.741 2.531 -19.667 954 1HB PRO 127 HB2 PRO 127 30.336 1.095 -17.913 955 2HB PRO 127 HB3 PRO 127 30.630 1.285 -19.667 956 1HG PRO 127 HG2 PRO 127 31.871 2.813 -17.384 957 2HG PRO 127 HG3 PRO 127 32.658 2.172 -18.854 958 1HD PRO 127 HD2 PRO 127 31.951 4.769 -18.577 959 2HD PRO 127 HD3 PRO 127 31.866 3.954 -20.162 960 H ILE 128 H ILE 128 29.692 4.388 -16.741 961 HA ILE 128 HA ILE 128 27.680 2.993 -15.136 962 HB ILE 128 HB ILE 128 29.540 5.310 -14.564 963 1HG1 ILE 128 HG12 ILE 128 30.449 3.763 -12.874 964 2HG1 ILE 128 HG13 ILE 128 29.299 2.520 -13.320 965 1HG2 ILE 128 HG21 ILE 128 28.771 5.315 -12.249 966 2HG2 ILE 128 HG22 ILE 128 27.385 5.630 -13.281 967 3HG2 ILE 128 HG23 ILE 128 27.594 4.025 -12.582 968 1HD1 ILE 128 HD11 ILE 128 30.442 2.078 -15.371 969 2HD1 ILE 128 HD12 ILE 128 31.400 3.569 -15.222 970 3HD1 ILE 128 HD13 ILE 128 31.690 2.226 -14.125 971 H LYS 129 H LYS 129 27.935 6.069 -16.939 972 HA LYS 129 HA LYS 129 25.351 7.088 -16.261 973 1HB LYS 129 HB2 LYS 129 26.946 7.273 -18.854 974 2HB LYS 129 HB3 LYS 129 25.382 8.055 -18.630 975 1HG LYS 129 HG2 LYS 129 26.240 9.375 -16.764 976 2HG LYS 129 HG3 LYS 129 27.828 8.598 -16.912 977 1HD LYS 129 HD2 LYS 129 28.110 9.502 -19.173 978 2HD LYS 129 HD3 LYS 129 26.480 10.216 -19.118 979 1HE LYS 129 HE2 LYS 129 27.145 11.614 -17.194 980 2HE LYS 129 HE3 LYS 129 28.760 10.895 -17.214 981 1HZ LYS 129 HZ1 LYS 129 27.603 12.518 -19.409 982 2HZ LYS 129 HZ2 LYS 129 28.718 13.034 -18.343 983 3HZ LYS 129 HZ3 LYS 129 29.103 11.865 -19.409 984 H ASP 130 H ASP 130 26.318 4.759 -18.810 985 HA ASP 130 HA ASP 130 23.686 4.297 -19.800 986 1HB ASP 130 HB2 ASP 130 25.693 3.683 -21.054 987 2HB ASP 130 HB3 ASP 130 26.154 2.522 -19.809 988 H ALA 131 H ALA 131 25.538 2.716 -17.191 989 HA ALA 131 HA ALA 131 23.600 0.715 -16.629 990 1HB ALA 131 HB1 ALA 131 24.721 0.546 -14.433 991 2HB ALA 131 HB2 ALA 131 25.891 0.599 -15.770 992 3HB ALA 131 HB3 ALA 131 25.608 2.040 -14.767 993 H VAL 132 H VAL 132 24.029 4.027 -15.191 994 HA VAL 132 HA VAL 132 21.796 3.816 -13.441 995 HB VAL 132 HB VAL 132 23.207 6.218 -14.670 996 1HG1 VAL 132 HG11 VAL 132 21.009 6.113 -12.572 997 2HG1 VAL 132 HG12 VAL 132 22.102 7.495 -12.737 998 3HG1 VAL 132 HG13 VAL 132 21.026 7.054 -14.074 999 1HG2 VAL 132 HG21 VAL 132 23.274 5.083 -11.832 1000 2HG2 VAL 132 HG22 VAL 132 24.540 4.824 -13.047 1001 3HG2 VAL 132 HG23 VAL 132 24.212 6.455 -12.458 1002 H GLU 133 H GLU 133 21.999 4.858 -16.898 1003 HA GLU 133 HA GLU 133 19.247 5.567 -17.125 1004 1HB GLU 133 HB2 GLU 133 20.973 6.205 -18.750 1005 2HB GLU 133 HB3 GLU 133 21.239 4.520 -19.178 1006 1HG GLU 133 HG2 GLU 133 19.898 5.663 -20.869 1007 2HG GLU 133 HG3 GLU 133 19.019 4.329 -20.135 1008 H THR 134 H THR 134 20.925 2.405 -17.447 1009 HA THR 134 HA THR 134 18.621 0.939 -18.306 1010 HB THR 134 HB THR 134 21.076 -0.030 -16.771 1011 HG1 THR 134 HG1 THR 134 21.672 1.031 -18.663 1012 1HG2 THR 134 HG21 THR 134 19.139 -1.523 -18.594 1013 2HG2 THR 134 HG22 THR 134 20.646 -2.184 -17.916 1014 3HG2 THR 134 HG23 THR 134 19.315 -1.746 -16.839 1015 H VAL 135 H VAL 135 19.983 1.580 -15.016 1016 HA VAL 135 HA VAL 135 17.998 0.113 -13.583 1017 HB VAL 135 HB VAL 135 19.758 2.476 -12.809 1018 1HG1 VAL 135 HG11 VAL 135 18.079 0.668 -11.009 1019 2HG1 VAL 135 HG12 VAL 135 19.330 1.799 -10.446 1020 3HG1 VAL 135 HG13 VAL 135 17.875 2.417 -11.231 1021 1HG2 VAL 135 HG21 VAL 135 21.151 0.802 -11.747 1022 2HG2 VAL 135 HG22 VAL 135 20.000 -0.495 -12.158 1023 3HG2 VAL 135 HG23 VAL 135 20.928 0.319 -13.421 1024 H TYR 136 H TYR 136 18.154 3.565 -14.608 1025 HA TYR 136 HA TYR 136 15.758 4.454 -13.468 1026 1HB TYR 136 HB2 TYR 136 17.331 6.001 -14.427 1027 2HB TYR 136 HB3 TYR 136 17.235 5.234 -16.000 1028 HD1 TYR 136 HD1 TYR 136 15.761 6.035 -17.652 1029 HD2 TYR 136 HD2 TYR 136 15.082 7.012 -13.492 1030 HE1 TYR 136 HE1 TYR 136 13.894 7.528 -18.301 1031 HE2 TYR 136 HE2 TYR 136 13.206 8.484 -14.138 1032 HH TYR 136 HH TYR 136 11.951 9.321 -15.861 1033 H GLN 137 H GLN 137 16.248 2.929 -16.725 1034 HA GLN 137 HA GLN 137 13.466 2.956 -17.378 1035 1HB GLN 137 HB2 GLN 137 15.790 1.237 -18.336 1036 2HB GLN 137 HB3 GLN 137 14.149 1.107 -19.000 1037 1HG GLN 137 HG2 GLN 137 14.159 3.455 -19.662 1038 2HG GLN 137 HG3 GLN 137 15.718 3.709 -18.887 1039 1HE2 GLN 137 HE22 GLN 137 16.707 4.457 -20.762 1040 2HE2 GLN 137 HE21 GLN 137 17.088 3.396 -22.121 1041 H ARG 138 H ARG 138 15.448 0.576 -15.616 1042 HA ARG 138 HA ARG 138 13.418 -1.426 -15.464 1043 1HB ARG 138 HB2 ARG 138 16.084 -1.036 -14.331 1044 2HB ARG 138 HB3 ARG 138 14.985 -1.540 -13.060 1045 1HG ARG 138 HG2 ARG 138 15.851 -3.535 -13.961 1046 2HG ARG 138 HG3 ARG 138 14.206 -3.431 -14.572 1047 1HD ARG 138 HD2 ARG 138 15.038 -2.631 -16.753 1048 2HD ARG 138 HD3 ARG 138 16.692 -2.552 -16.116 1049 HE ARG 138 HE ARG 138 15.688 -5.168 -15.675 1050 1HH1 ARG 138 HH21 ARG 138 16.726 -3.148 -18.412 1051 2HH1 ARG 138 HH22 ARG 138 17.264 -4.477 -19.369 1052 1HH2 ARG 138 HH11 ARG 138 16.365 -6.921 -16.945 1053 2HH2 ARG 138 HH12 ARG 138 17.046 -6.687 -18.514 1054 H LEU 139 H LEU 139 13.731 1.578 -13.639 1055 HA LEU 139 HA LEU 139 12.179 0.870 -11.401 1056 1HB LEU 139 HB2 LEU 139 12.195 3.507 -12.903 1057 2HB LEU 139 HB3 LEU 139 11.541 3.277 -11.298 1058 HG LEU 139 HG LEU 139 14.466 3.020 -12.063 1059 1HD1 LEU 139 HD11 LEU 139 14.668 5.080 -10.699 1060 2HD1 LEU 139 HD12 LEU 139 13.639 5.302 -12.123 1061 3HD1 LEU 139 HD13 LEU 139 12.907 5.120 -10.517 1062 1HD2 LEU 139 HD21 LEU 139 14.921 2.884 -9.646 1063 2HD2 LEU 139 HD22 LEU 139 13.180 2.834 -9.308 1064 3HD2 LEU 139 HD23 LEU 139 13.972 1.497 -10.178 1065 H GLU 140 H GLU 140 11.106 1.253 -14.733 1066 HA GLU 140 HA GLU 140 8.321 1.673 -13.966 1067 1HB GLU 140 HB2 GLU 140 9.715 2.553 -16.020 1068 2HB GLU 140 HB3 GLU 140 9.276 1.002 -16.751 1069 1HG GLU 140 HG2 GLU 140 6.827 1.668 -16.178 1070 2HG GLU 140 HG3 GLU 140 7.480 3.252 -15.759 1071 H GLY 141 H GLY 141 10.200 -1.069 -13.813 1072 1HA GLY 141 HA2 GLY 141 7.861 -2.872 -14.203 1073 2HA GLY 141 HA3 GLY 141 9.304 -3.133 -15.189 1074 H TRP 142 H TRP 142 10.902 -2.222 -12.583 1075 HA TRP 142 HA TRP 142 11.491 -4.736 -11.484 1076 1HB TRP 142 HB2 TRP 142 13.001 -2.848 -11.333 1077 2HB TRP 142 HB3 TRP 142 11.806 -1.887 -10.481 1078 HD1 TRP 142 HD1 TRP 142 14.631 -4.269 -9.872 1079 HE1 TRP 142 HE1 TRP 142 15.029 -4.538 -7.345 1080 HE3 TRP 142 HE3 TRP 142 10.387 -1.994 -8.099 1081 HZ2 TRP 142 HZ2 TRP 142 13.908 -3.507 -4.935 1082 HZ3 TRP 142 HZ3 TRP 142 10.133 -1.587 -5.686 1083 HH2 TRP 142 HH2 TRP 142 11.877 -2.334 -4.080 1084 H GLU 143 H GLU 143 10.715 -5.833 -9.784 1085 HA GLU 143 HA GLU 143 8.648 -4.667 -8.033 1086 1HB GLU 143 HB2 GLU 143 7.755 -6.045 -10.079 1087 2HB GLU 143 HB3 GLU 143 8.378 -7.453 -9.234 1088 1HG GLU 143 HG2 GLU 143 6.016 -7.239 -8.816 1089 2HG GLU 143 HG3 GLU 143 6.844 -6.907 -7.306 1090 H GLY 144 H GLY 144 11.607 -5.456 -7.895 1091 1HA GLY 144 HA2 GLY 144 12.155 -6.049 -5.423 1092 2HA GLY 144 HA3 GLY 144 11.638 -7.668 -5.924 1093 H ASN 145 H ASN 145 12.667 -7.511 -8.637 1094 HA ASN 145 HA ASN 145 15.623 -7.549 -8.158 1095 1HB ASN 145 HB2 ASN 145 14.846 -9.777 -7.852 1096 2HB ASN 145 HB3 ASN 145 13.769 -9.685 -9.254 1097 1HD2 ASN 145 HD22 ASN 145 17.199 -10.008 -8.270 1098 2HD2 ASN 145 HD21 ASN 145 17.757 -10.419 -9.888 1099 H GLY 146 H GLY 146 13.042 -6.993 -10.533 1100 1HA GLY 146 HA2 GLY 146 13.089 -5.920 -12.554 1101 2HA GLY 146 HA3 GLY 146 14.613 -5.194 -12.030 1102 H GLY 147 H GLY 147 14.784 -8.656 -12.211 1103 1HA GLY 147 HA2 GLY 147 15.462 -10.104 -13.860 1104 2HA GLY 147 HA3 GLY 147 15.524 -8.789 -15.040 1105 H PHE 148 H PHE 148 17.219 -7.771 -12.195 1106 HA PHE 148 HA PHE 148 19.797 -8.134 -13.510 1107 1HB PHE 148 HB2 PHE 148 18.996 -7.054 -10.793 1108 2HB PHE 148 HB3 PHE 148 20.637 -7.043 -11.431 1109 HD1 PHE 148 HD1 PHE 148 17.718 -5.118 -11.087 1110 HD2 PHE 148 HD2 PHE 148 20.841 -5.994 -13.918 1111 HE1 PHE 148 HE1 PHE 148 17.338 -2.918 -12.183 1112 HE2 PHE 148 HE2 PHE 148 20.380 -3.850 -15.088 1113 HZ PHE 148 HZ PHE 148 18.654 -2.292 -14.205 1114 H ALA 149 H ALA 149 21.568 -9.104 -12.333 1115 HA ALA 149 HA ALA 149 20.849 -11.699 -11.028 1116 1HB ALA 149 HB1 ALA 149 23.507 -10.629 -12.107 1117 2HB ALA 149 HB2 ALA 149 23.280 -12.198 -11.307 1118 3HB ALA 149 HB3 ALA 149 22.493 -11.874 -12.864 1119 H GLN 150 H GLN 150 21.775 -12.212 -9.036 1120 HA GLN 150 HA GLN 150 22.213 -9.851 -7.318 1121 1HB GLN 150 HB2 GLN 150 20.521 -11.613 -6.687 1122 2HB GLN 150 HB3 GLN 150 21.862 -12.774 -6.513 1123 1HG GLN 150 HG2 GLN 150 22.893 -11.309 -4.819 1124 2HG GLN 150 HG3 GLN 150 21.651 -10.088 -5.127 1125 1HE2 GLN 150 HE22 GLN 150 21.144 -10.088 -2.885 1126 2HE2 GLN 150 HE21 GLN 150 20.160 -11.354 -2.191 1127 H LEU 151 H LEU 151 24.167 -9.416 -6.438 1128 HA LEU 151 HA LEU 151 26.544 -10.522 -7.540 1129 1HB LEU 151 HB2 LEU 151 26.310 -8.204 -6.649 1130 2HB LEU 151 HB3 LEU 151 26.052 -8.851 -5.032 1131 HG LEU 151 HG LEU 151 28.366 -9.778 -5.031 1132 1HD1 LEU 151 HD11 LEU 151 28.724 -10.129 -7.460 1133 2HD1 LEU 151 HD12 LEU 151 28.621 -8.378 -7.732 1134 3HD1 LEU 151 HD13 LEU 151 29.965 -9.065 -6.796 1135 1HD2 LEU 151 HD21 LEU 151 28.070 -6.827 -5.733 1136 2HD2 LEU 151 HD22 LEU 151 27.922 -7.549 -4.133 1137 3HD2 LEU 151 HD23 LEU 151 29.498 -7.542 -4.948 1138 H ALA 152 H ALA 152 27.586 -12.341 -6.933 1139 HA ALA 152 HA ALA 152 27.440 -13.380 -4.179 1140 1HB ALA 152 HB1 ALA 152 25.489 -14.410 -5.234 1141 2HB ALA 152 HB2 ALA 152 26.482 -14.973 -6.600 1142 3HB ALA 152 HB3 ALA 152 26.752 -15.627 -4.966 1143 H VAL 153 H VAL 153 29.619 -12.658 -4.207 1144 HA VAL 153 HA VAL 153 31.755 -12.484 -4.741 1145 HB VAL 153 HB VAL 153 32.914 -14.428 -4.037 1146 1HG1 VAL 153 HG11 VAL 153 31.806 -12.978 -2.390 1147 2HG1 VAL 153 HG12 VAL 153 30.391 -14.055 -2.397 1148 3HG1 VAL 153 HG13 VAL 153 31.961 -14.646 -1.829 1149 1HG2 VAL 153 HG21 VAL 153 31.870 -16.551 -3.455 1150 2HG2 VAL 153 HG22 VAL 153 30.287 -15.978 -4.008 1151 3HG2 VAL 153 HG23 VAL 153 31.597 -16.248 -5.175 1152 H GLU 154 H GLU 154 30.526 -12.256 -7.131 1153 HA GLU 154 HA GLU 154 31.829 -13.837 -9.196 1154 1HB GLU 154 HB2 GLU 154 30.285 -11.216 -9.136 1155 2HB GLU 154 HB3 GLU 154 30.990 -11.875 -10.622 1156 1HG GLU 154 HG2 GLU 154 29.619 -13.866 -10.466 1157 2HG GLU 154 HG3 GLU 154 28.953 -13.334 -8.908 1158 H GLU 155 H GLU 155 33.250 -12.693 -10.823 1159 HA GLU 155 HA GLU 155 34.867 -10.432 -9.924 1160 1HB GLU 155 HB2 GLU 155 36.050 -13.121 -10.769 1161 2HB GLU 155 HB3 GLU 155 36.965 -11.632 -10.610 1162 1HG GLU 155 HG2 GLU 155 35.596 -13.147 -8.345 1163 2HG GLU 155 HG3 GLU 155 37.305 -13.175 -8.731 1164 H GLU 156 H GLU 156 35.809 -9.423 -11.848 1165 HA GLU 156 HA GLU 156 34.469 -9.666 -14.332 1166 1HB GLU 156 HB2 GLU 156 35.777 -7.685 -13.651 1167 2HB GLU 156 HB3 GLU 156 37.272 -8.625 -13.733 1168 1HG GLU 156 HG2 GLU 156 36.946 -8.965 -16.161 1169 2HG GLU 156 HG3 GLU 156 35.385 -8.147 -16.079 Start of MODEL 7 1 1H MET 1 H1 MET 1 0.686 0.556 0.107 2 2H MET 1 H2 MET 1 0.089 0.568 -1.415 3 3H MET 1 H3 MET 1 0.210 -0.847 -0.592 4 HA MET 1 HA MET 1 2.607 -0.684 -0.558 5 1HB MET 1 HB2 MET 1 1.577 -1.983 -2.359 6 2HB MET 1 HB3 MET 1 1.357 -0.531 -3.333 7 1HG MET 1 HG2 MET 1 3.253 -1.788 -4.148 8 2HG MET 1 HG3 MET 1 3.784 -0.245 -3.516 9 1HE MET 1 HE1 MET 1 4.040 -4.091 -3.350 10 2HE MET 1 HE2 MET 1 4.752 -4.409 -1.755 11 3HE MET 1 HE3 MET 1 3.069 -3.854 -1.878 12 H THR 2 H THR 2 3.664 1.088 0.253 13 HA THR 2 HA THR 2 4.011 3.465 -1.529 14 HB THR 2 HB THR 2 4.677 3.115 1.427 15 HG1 THR 2 HG1 THR 2 2.449 3.183 1.068 16 1HG2 THR 2 HG21 THR 2 4.680 5.591 -0.367 17 2HG2 THR 2 HG22 THR 2 4.950 5.579 1.392 18 3HG2 THR 2 HG23 THR 2 6.111 4.792 0.315 19 H ASP 3 H ASP 3 5.572 2.821 -2.945 20 HA ASP 3 HA ASP 3 7.947 1.293 -2.013 21 1HB ASP 3 HB2 ASP 3 7.062 2.348 -4.746 22 2HB ASP 3 HB3 ASP 3 8.630 1.618 -4.434 23 H VAL 4 H VAL 4 9.984 2.336 -1.921 24 HA VAL 4 HA VAL 4 10.086 5.248 -2.492 25 HB VAL 4 HB VAL 4 10.953 3.880 0.093 26 1HG1 VAL 4 HG11 VAL 4 12.533 5.702 -0.494 27 2HG1 VAL 4 HG12 VAL 4 11.167 6.824 -0.685 28 3HG1 VAL 4 HG13 VAL 4 11.547 6.124 0.900 29 1HG2 VAL 4 HG21 VAL 4 8.687 5.808 -0.567 30 2HG2 VAL 4 HG22 VAL 4 8.570 4.212 0.178 31 3HG2 VAL 4 HG23 VAL 4 9.271 5.567 1.075 32 H LEU 5 H LEU 5 12.137 5.975 -3.069 33 HA LEU 5 HA LEU 5 14.167 3.891 -3.724 34 1HB LEU 5 HB2 LEU 5 13.109 4.546 -5.793 35 2HB LEU 5 HB3 LEU 5 13.143 6.253 -5.337 36 HG LEU 5 HG LEU 5 15.645 6.232 -5.473 37 1HD1 LEU 5 HD11 LEU 5 16.763 4.350 -6.624 38 2HD1 LEU 5 HD12 LEU 5 16.095 3.830 -5.079 39 3HD1 LEU 5 HD13 LEU 5 15.253 3.415 -6.587 40 1HD2 LEU 5 HD21 LEU 5 14.165 5.314 -7.963 41 2HD2 LEU 5 HD22 LEU 5 14.279 6.979 -7.363 42 3HD2 LEU 5 HD23 LEU 5 15.732 6.154 -7.934 43 H LEU 6 H LEU 6 16.079 4.373 -2.757 44 HA LEU 6 HA LEU 6 16.577 7.146 -1.762 45 1HB LEU 6 HB2 LEU 6 16.182 5.667 0.091 46 2HB LEU 6 HB3 LEU 6 17.267 4.447 -0.590 47 HG LEU 6 HG LEU 6 19.201 6.010 -0.246 48 1HD1 LEU 6 HD11 LEU 6 17.117 7.764 1.104 49 2HD1 LEU 6 HD12 LEU 6 18.876 7.982 1.232 50 3HD1 LEU 6 HD13 LEU 6 18.082 8.168 -0.334 51 1HD2 LEU 6 HD21 LEU 6 19.200 5.801 2.250 52 2HD2 LEU 6 HD22 LEU 6 17.505 5.282 2.161 53 3HD2 LEU 6 HD23 LEU 6 18.773 4.316 1.401 54 H CYS 7 H CYS 7 17.694 7.886 -3.486 55 HA CYS 7 HA CYS 7 19.920 6.436 -4.701 56 1HB CYS 7 HB2 CYS 7 18.940 9.327 -4.704 57 2HB CYS 7 HB3 CYS 7 20.317 8.762 -5.646 58 HG CYS 7 HG CYS 7 19.061 6.916 -6.980 59 H VAL 8 H VAL 8 22.091 6.608 -4.124 60 HA VAL 8 HA VAL 8 22.889 8.375 -1.882 61 HB VAL 8 HB VAL 8 23.430 5.380 -2.187 62 1HG1 VAL 8 HG11 VAL 8 24.361 7.312 -0.036 63 2HG1 VAL 8 HG12 VAL 8 24.555 5.543 0.011 64 3HG1 VAL 8 HG13 VAL 8 25.388 6.481 -1.221 65 1HG2 VAL 8 HG21 VAL 8 21.220 5.583 -1.378 66 2HG2 VAL 8 HG22 VAL 8 22.225 5.181 0.009 67 3HG2 VAL 8 HG23 VAL 8 21.667 6.858 -0.231 68 H GLY 9 H GLY 9 25.007 9.182 -2.176 69 1HA GLY 9 HA2 GLY 9 27.240 8.314 -3.261 70 2HA GLY 9 HA3 GLY 9 26.335 8.578 -4.753 71 H ASN 10 H ASN 10 28.632 9.978 -4.499 72 HA ASN 10 HA ASN 10 27.800 12.768 -3.789 73 1HB ASN 10 HB2 ASN 10 29.786 11.990 -2.579 74 2HB ASN 10 HB3 ASN 10 30.559 11.530 -4.088 75 1HD2 ASN 10 HD22 ASN 10 30.532 13.973 -1.797 76 2HD2 ASN 10 HD21 ASN 10 31.082 15.278 -2.816 77 H SER 11 H SER 11 27.174 13.917 -5.485 78 HA SER 11 HA SER 11 27.046 13.037 -8.059 79 1HB SER 11 HB2 SER 11 27.065 15.971 -7.341 80 2HB SER 11 HB3 SER 11 26.000 15.108 -8.465 81 HG SER 11 HG SER 11 24.973 15.662 -6.472 82 H MET 12 H MET 12 29.927 14.368 -6.681 83 HA MET 12 HA MET 12 30.983 15.055 -9.378 84 1HB MET 12 HB2 MET 12 32.162 16.939 -8.434 85 2HB MET 12 HB3 MET 12 30.434 17.122 -8.153 86 1HG MET 12 HG2 MET 12 30.658 16.470 -5.840 87 2HG MET 12 HG3 MET 12 32.353 16.016 -6.054 88 1HE MET 12 HE1 MET 12 33.885 18.253 -7.462 89 2HE MET 12 HE2 MET 12 34.296 19.285 -6.076 90 3HE MET 12 HE3 MET 12 34.334 17.520 -5.903 91 H MET 13 H MET 13 31.175 12.586 -7.442 92 HA MET 13 HA MET 13 34.126 12.630 -7.156 93 1HB MET 13 HB2 MET 13 32.773 12.526 -5.094 94 2HB MET 13 HB3 MET 13 32.173 10.947 -5.603 95 1HG MET 13 HG2 MET 13 34.559 10.138 -5.599 96 2HG MET 13 HG3 MET 13 35.047 11.745 -5.041 97 1HE MET 13 HE1 MET 13 35.694 9.646 -1.896 98 2HE MET 13 HE2 MET 13 35.951 9.191 -3.599 99 3HE MET 13 HE3 MET 13 36.308 10.847 -3.059 100 H GLY 14 H GLY 14 33.004 12.163 -9.730 101 1HA GLY 14 HA2 GLY 14 33.417 10.734 -11.467 102 2HA GLY 14 HA3 GLY 14 34.149 9.588 -10.340 103 H ASP 15 H ASP 15 33.119 7.775 -10.921 104 HA ASP 15 HA ASP 15 30.412 7.452 -11.677 105 1HB ASP 15 HB2 ASP 15 32.416 5.476 -10.536 106 2HB ASP 15 HB3 ASP 15 30.874 5.024 -11.223 107 H ASP 16 H ASP 16 31.776 7.925 -8.544 108 HA ASP 16 HA ASP 16 29.937 6.512 -6.905 109 1HB ASP 16 HB2 ASP 16 32.123 7.594 -6.252 110 2HB ASP 16 HB3 ASP 16 31.296 9.153 -6.348 111 H GLY 17 H GLY 17 29.471 9.305 -8.956 112 1HA GLY 17 HA2 GLY 17 27.222 10.446 -7.532 113 2HA GLY 17 HA3 GLY 17 27.723 10.775 -9.196 114 H ALA 18 H ALA 18 27.114 7.376 -8.331 115 HA ALA 18 HA ALA 18 25.421 7.130 -10.593 116 1HB ALA 18 HB1 ALA 18 25.865 5.262 -8.237 117 2HB ALA 18 HB2 ALA 18 25.053 4.822 -9.752 118 3HB ALA 18 HB3 ALA 18 26.768 5.272 -9.771 119 H GLY 19 H GLY 19 24.613 7.057 -7.068 120 1HA GLY 19 HA2 GLY 19 21.795 6.848 -7.404 121 2HA GLY 19 HA3 GLY 19 22.633 7.490 -5.989 122 HA PRO 20 HA PRO 20 21.795 11.723 -7.009 123 1HB PRO 20 HB2 PRO 20 24.558 12.119 -8.198 124 2HB PRO 20 HB3 PRO 20 23.600 13.241 -7.178 125 1HG PRO 20 HG2 PRO 20 25.518 11.669 -6.057 126 2HG PRO 20 HG3 PRO 20 23.947 11.889 -5.232 127 1HD PRO 20 HD2 PRO 20 24.938 9.527 -6.781 128 2HD PRO 20 HD3 PRO 20 23.858 9.597 -5.367 129 H LEU 21 H LEU 21 23.512 10.158 -9.859 130 HA LEU 21 HA LEU 21 22.162 11.889 -11.724 131 1HB LEU 21 HB2 LEU 21 24.297 10.814 -12.238 132 2HB LEU 21 HB3 LEU 21 23.579 9.218 -12.051 133 HG LEU 21 HG LEU 21 22.082 9.668 -14.015 134 1HD1 LEU 21 HD11 LEU 21 21.878 12.098 -13.945 135 2HD1 LEU 21 HD12 LEU 21 23.630 12.292 -14.165 136 3HD1 LEU 21 HD13 LEU 21 22.626 11.645 -15.477 137 1HD2 LEU 21 HD21 LEU 21 24.260 8.555 -14.309 138 2HD2 LEU 21 HD22 LEU 21 23.819 9.515 -15.730 139 3HD2 LEU 21 HD23 LEU 21 25.031 10.132 -14.583 140 H LEU 22 H LEU 22 21.455 8.655 -10.317 141 HA LEU 22 HA LEU 22 19.192 8.100 -11.966 142 1HB LEU 22 HB2 LEU 22 20.278 6.381 -10.536 143 2HB LEU 22 HB3 LEU 22 19.797 7.257 -9.096 144 HG LEU 22 HG LEU 22 17.430 6.901 -9.587 145 1HD1 LEU 22 HD11 LEU 22 17.393 6.786 -12.032 146 2HD1 LEU 22 HD12 LEU 22 18.445 5.351 -12.026 147 3HD1 LEU 22 HD13 LEU 22 16.785 5.263 -11.397 148 1HD2 LEU 22 HD21 LEU 22 18.678 5.234 -8.253 149 2HD2 LEU 22 HD22 LEU 22 17.370 4.477 -9.173 150 3HD2 LEU 22 HD23 LEU 22 19.048 4.328 -9.738 151 H ALA 23 H ALA 23 19.483 9.716 -8.766 152 HA ALA 23 HA ALA 23 16.765 10.352 -8.399 153 1HB ALA 23 HB1 ALA 23 19.226 11.947 -7.524 154 2HB ALA 23 HB2 ALA 23 17.580 12.148 -6.896 155 3HB ALA 23 HB3 ALA 23 18.452 10.643 -6.604 156 H GLU 24 H GLU 24 19.292 12.156 -10.229 157 HA GLU 24 HA GLU 24 17.702 14.461 -10.745 158 1HB GLU 24 HB2 GLU 24 20.103 14.503 -11.065 159 2HB GLU 24 HB3 GLU 24 20.040 13.166 -12.199 160 1HG GLU 24 HG2 GLU 24 20.423 15.237 -13.382 161 2HG GLU 24 HG3 GLU 24 18.903 14.502 -13.868 162 H LYS 25 H LYS 25 18.233 11.478 -12.633 163 HA LYS 25 HA LYS 25 16.491 12.195 -14.791 164 1HB LYS 25 HB2 LYS 25 17.560 9.556 -13.731 165 2HB LYS 25 HB3 LYS 25 16.532 9.668 -15.180 166 1HG LYS 25 HG2 LYS 25 18.158 11.125 -16.283 167 2HG LYS 25 HG3 LYS 25 19.213 11.062 -14.861 168 1HD LYS 25 HD2 LYS 25 19.382 8.587 -15.115 169 2HD LYS 25 HD3 LYS 25 18.402 8.661 -16.584 170 1HE LYS 25 HE2 LYS 25 21.028 10.166 -16.195 171 2HE LYS 25 HE3 LYS 25 20.946 8.548 -16.897 172 1HZ LYS 25 HZ1 LYS 25 21.004 10.373 -18.545 173 2HZ LYS 25 HZ2 LYS 25 19.739 9.378 -18.755 174 3HZ LYS 25 HZ3 LYS 25 19.525 10.867 -18.074 175 H CYS 26 H CYS 26 15.853 10.250 -11.805 176 HA CYS 26 HA CYS 26 13.097 9.734 -12.449 177 1HB CYS 26 HB2 CYS 26 14.474 9.859 -9.730 178 2HB CYS 26 HB3 CYS 26 12.863 9.193 -10.069 179 HG CYS 26 HG CYS 26 15.823 8.244 -11.151 180 H ALA 27 H ALA 27 14.669 12.480 -10.658 181 HA ALA 27 HA ALA 27 12.230 13.700 -9.903 182 1HB ALA 27 HB1 ALA 27 13.587 15.749 -9.630 183 2HB ALA 27 HB2 ALA 27 14.389 14.336 -8.921 184 3HB ALA 27 HB3 ALA 27 14.936 14.979 -10.489 185 H ALA 28 H ALA 28 14.211 14.008 -12.897 186 HA ALA 28 HA ALA 28 12.628 16.050 -14.080 187 1HB ALA 28 HB1 ALA 28 14.406 13.946 -15.390 188 2HB ALA 28 HB2 ALA 28 13.820 15.439 -16.147 189 3HB ALA 28 HB3 ALA 28 14.943 15.527 -14.776 190 H ALA 29 H ALA 29 12.367 12.517 -14.062 191 HA ALA 29 HA ALA 29 9.718 12.583 -15.375 192 1HB ALA 29 HB1 ALA 29 12.183 11.179 -16.464 193 2HB ALA 29 HB2 ALA 29 10.513 10.864 -17.012 194 3HB ALA 29 HB3 ALA 29 11.247 12.461 -17.254 195 HA PRO 30 HA PRO 30 9.966 9.856 -11.661 196 1HB PRO 30 HB2 PRO 30 6.995 10.069 -12.172 197 2HB PRO 30 HB3 PRO 30 7.868 10.028 -10.604 198 1HG PRO 30 HG2 PRO 30 7.038 12.395 -11.617 199 2HG PRO 30 HG3 PRO 30 8.689 12.256 -10.925 200 1HD PRO 30 HD2 PRO 30 7.859 12.216 -13.832 201 2HD PRO 30 HD3 PRO 30 9.245 13.041 -13.055 202 H LYS 31 H LYS 31 9.219 7.680 -11.159 203 HA LYS 31 HA LYS 31 8.434 6.021 -13.502 204 1HB LYS 31 HB2 LYS 31 10.750 5.540 -11.547 205 2HB LYS 31 HB3 LYS 31 10.175 4.341 -12.687 206 1HG LYS 31 HG2 LYS 31 11.244 7.078 -13.532 207 2HG LYS 31 HG3 LYS 31 12.244 5.649 -13.399 208 1HD LYS 31 HD2 LYS 31 11.127 4.504 -15.137 209 2HD LYS 31 HD3 LYS 31 9.748 5.606 -15.156 210 1HE LYS 31 HE2 LYS 31 12.580 6.428 -15.878 211 2HE LYS 31 HE3 LYS 31 11.392 5.866 -17.058 212 1HZ LYS 31 HZ1 LYS 31 11.037 8.266 -15.341 213 2HZ LYS 31 HZ2 LYS 31 11.428 8.275 -16.926 214 3HZ LYS 31 HZ3 LYS 31 9.956 7.717 -16.441 215 H GLY 32 H GLY 32 7.516 4.041 -12.981 216 1HA GLY 32 HA2 GLY 32 6.004 2.705 -11.891 217 2HA GLY 32 HA3 GLY 32 7.358 2.568 -10.777 218 H ASN 33 H ASN 33 7.019 3.115 -8.732 219 HA ASN 33 HA ASN 33 4.672 4.770 -7.911 220 1HB ASN 33 HB2 ASN 33 4.098 2.343 -8.001 221 2HB ASN 33 HB3 ASN 33 5.482 1.984 -6.976 222 1HD2 ASN 33 HD22 ASN 33 4.664 1.310 -5.042 223 2HD2 ASN 33 HD21 ASN 33 3.353 2.113 -4.166 224 H TRP 34 H TRP 34 7.872 4.869 -7.899 225 HA TRP 34 HA TRP 34 8.529 4.537 -5.096 226 1HB TRP 34 HB2 TRP 34 10.342 5.753 -7.192 227 2HB TRP 34 HB3 TRP 34 10.761 4.849 -5.747 228 HD1 TRP 34 HD1 TRP 34 9.654 4.468 -9.343 229 HE1 TRP 34 HE1 TRP 34 9.843 2.044 -10.137 230 HE3 TRP 34 HE3 TRP 34 11.055 2.301 -4.916 231 HZ2 TRP 34 HZ2 TRP 34 10.622 -0.449 -9.031 232 HZ3 TRP 34 HZ3 TRP 34 11.549 -0.123 -4.827 233 HH2 TRP 34 HH2 TRP 34 11.344 -1.528 -6.872 234 H VAL 35 H VAL 35 8.406 6.122 -3.573 235 HA VAL 35 HA VAL 35 8.298 8.968 -4.320 236 HB VAL 35 HB VAL 35 8.850 7.733 -1.586 237 1HG1 VAL 35 HG11 VAL 35 8.001 9.932 -0.763 238 2HG1 VAL 35 HG12 VAL 35 9.458 10.109 -1.748 239 3HG1 VAL 35 HG13 VAL 35 7.866 10.496 -2.439 240 1HG2 VAL 35 HG21 VAL 35 6.437 8.123 -1.099 241 2HG2 VAL 35 HG22 VAL 35 6.171 8.547 -2.804 242 3HG2 VAL 35 HG23 VAL 35 6.661 6.901 -2.348 243 H VAL 36 H VAL 36 10.182 9.980 -5.016 244 HA VAL 36 HA VAL 36 12.719 8.542 -4.819 245 HB VAL 36 HB VAL 36 12.100 11.291 -5.988 246 1HG1 VAL 36 HG11 VAL 36 14.161 10.917 -7.322 247 2HG1 VAL 36 HG12 VAL 36 14.518 10.944 -5.595 248 3HG1 VAL 36 HG13 VAL 36 14.452 9.392 -6.455 249 1HG2 VAL 36 HG21 VAL 36 10.745 9.567 -7.145 250 2HG2 VAL 36 HG22 VAL 36 12.026 10.177 -8.180 251 3HG2 VAL 36 HG23 VAL 36 12.202 8.585 -7.400 252 H ILE 37 H ILE 37 14.300 8.937 -3.334 253 HA ILE 37 HA ILE 37 14.450 11.519 -1.901 254 HB ILE 37 HB ILE 37 14.636 8.707 -0.717 255 1HG1 ILE 37 HG12 ILE 37 12.929 11.111 0.096 256 2HG1 ILE 37 HG13 ILE 37 12.347 9.728 -0.836 257 1HG2 ILE 37 HG21 ILE 37 16.538 10.073 0.140 258 2HG2 ILE 37 HG22 ILE 37 15.389 11.320 0.671 259 3HG2 ILE 37 HG23 ILE 37 15.389 9.697 1.398 260 1HD1 ILE 37 HD11 ILE 37 13.276 9.657 2.049 261 2HD1 ILE 37 HD12 ILE 37 11.638 9.485 1.429 262 3HD1 ILE 37 HD13 ILE 37 12.837 8.233 1.063 263 H ASP 38 H ASP 38 16.632 12.148 -1.646 264 HA ASP 38 HA ASP 38 18.750 10.409 -2.815 265 1HB ASP 38 HB2 ASP 38 18.398 12.025 -4.521 266 2HB ASP 38 HB3 ASP 38 18.260 13.346 -3.354 267 H GLY 39 H GLY 39 19.937 9.878 -1.095 268 1HA GLY 39 HA2 GLY 39 19.976 11.527 1.340 269 2HA GLY 39 HA3 GLY 39 20.676 9.920 1.095 270 H GLY 40 H GLY 40 21.729 11.636 -1.561 271 1HA GLY 40 HA2 GLY 40 23.823 12.354 -2.138 272 2HA GLY 40 HA3 GLY 40 23.932 13.153 -0.554 273 H SER 41 H SER 41 26.092 12.466 -0.159 274 HA SER 41 HA SER 41 26.718 9.616 -0.217 275 1HB SER 41 HB2 SER 41 29.011 10.567 0.422 276 2HB SER 41 HB3 SER 41 28.331 10.985 -1.160 277 HG SER 41 HG SER 41 29.257 12.760 0.181 278 H ALA 42 H ALA 42 24.951 11.258 1.959 279 HA ALA 42 HA ALA 42 26.028 9.805 4.309 280 1HB ALA 42 HB1 ALA 42 26.916 12.101 4.451 281 2HB ALA 42 HB2 ALA 42 25.270 12.758 4.284 282 3HB ALA 42 HB3 ALA 42 25.709 11.801 5.714 283 HA PRO 43 HA PRO 43 21.454 9.702 3.226 284 1HB PRO 43 HB2 PRO 43 21.009 7.037 2.904 285 2HB PRO 43 HB3 PRO 43 21.783 8.038 1.642 286 1HG PRO 43 HG2 PRO 43 23.184 6.353 3.753 287 2HG PRO 43 HG3 PRO 43 23.414 6.283 1.982 288 1HD PRO 43 HD2 PRO 43 25.052 7.783 3.526 289 2HD PRO 43 HD3 PRO 43 24.474 8.418 1.955 290 H GLU 44 H GLU 44 23.313 8.171 5.762 291 HA GLU 44 HA GLU 44 21.245 7.142 7.371 292 1HB GLU 44 HB2 GLU 44 22.839 7.389 9.218 293 2HB GLU 44 HB3 GLU 44 23.556 6.665 7.773 294 1HG GLU 44 HG2 GLU 44 24.535 8.919 7.200 295 2HG GLU 44 HG3 GLU 44 23.924 9.524 8.745 296 H ASN 45 H ASN 45 22.279 10.473 6.855 297 HA ASN 45 HA ASN 45 20.868 11.680 8.991 298 1HB ASN 45 HB2 ASN 45 21.487 13.647 8.072 299 2HB ASN 45 HB3 ASN 45 22.539 12.643 7.081 300 1HD2 ASN 45 HD22 ASN 45 21.807 12.162 4.821 301 2HD2 ASN 45 HD21 ASN 45 20.419 13.006 4.123 302 H ASP 46 H ASP 46 19.714 10.298 6.004 303 HA ASP 46 HA ASP 46 17.176 11.815 6.036 304 1HB ASP 46 HB2 ASP 46 18.801 10.384 3.978 305 2HB ASP 46 HB3 ASP 46 17.065 10.250 3.791 306 H ILE 47 H ILE 47 18.238 8.963 7.426 307 HA ILE 47 HA ILE 47 16.212 7.081 6.939 308 HB ILE 47 HB ILE 47 17.803 7.756 9.437 309 1HG1 ILE 47 HG12 ILE 47 18.043 5.443 7.451 310 2HG1 ILE 47 HG13 ILE 47 18.996 6.918 7.359 311 1HG2 ILE 47 HG21 ILE 47 17.155 5.573 10.384 312 2HG2 ILE 47 HG22 ILE 47 15.742 6.585 10.158 313 3HG2 ILE 47 HG23 ILE 47 16.081 5.280 8.999 314 1HD1 ILE 47 HD11 ILE 47 19.110 4.819 9.555 315 2HD1 ILE 47 HD12 ILE 47 20.378 5.294 8.419 316 3HD1 ILE 47 HD13 ILE 47 19.878 6.424 9.685 317 H VAL 48 H VAL 48 16.156 9.900 9.164 318 HA VAL 48 HA VAL 48 13.652 9.382 10.347 319 HB VAL 48 HB VAL 48 14.968 12.066 9.739 320 1HG1 VAL 48 HG11 VAL 48 13.724 12.883 11.725 321 2HG1 VAL 48 HG12 VAL 48 12.626 12.360 10.446 322 3HG1 VAL 48 HG13 VAL 48 12.900 11.313 11.856 323 1HG2 VAL 48 HG21 VAL 48 15.878 11.887 12.060 324 2HG2 VAL 48 HG22 VAL 48 15.253 10.228 12.162 325 3HG2 VAL 48 HG23 VAL 48 16.530 10.644 10.999 326 H ALA 49 H ALA 49 14.446 10.954 7.213 327 HA ALA 49 HA ALA 49 11.788 11.939 6.777 328 1HB ALA 49 HB1 ALA 49 14.026 11.425 4.773 329 2HB ALA 49 HB2 ALA 49 12.566 12.389 4.493 330 3HB ALA 49 HB3 ALA 49 13.771 12.940 5.676 331 H ILE 50 H ILE 50 13.622 9.081 5.649 332 HA ILE 50 HA ILE 50 11.576 7.931 4.073 333 HB ILE 50 HB ILE 50 13.723 6.486 5.688 334 1HG1 ILE 50 HG12 ILE 50 13.929 7.240 2.748 335 2HG1 ILE 50 HG13 ILE 50 14.536 8.315 3.996 336 1HG2 ILE 50 HG21 ILE 50 12.021 5.675 3.287 337 2HG2 ILE 50 HG22 ILE 50 13.429 4.756 3.822 338 3HG2 ILE 50 HG23 ILE 50 12.042 4.923 4.897 339 1HD1 ILE 50 HD11 ILE 50 15.984 6.433 4.847 340 2HD1 ILE 50 HD12 ILE 50 15.507 5.507 3.406 341 3HD1 ILE 50 HD13 ILE 50 16.376 7.044 3.237 342 H ARG 51 H ARG 51 12.235 7.658 7.609 343 HA ARG 51 HA ARG 51 10.273 5.684 8.157 344 1HB ARG 51 HB2 ARG 51 11.474 7.880 9.882 345 2HB ARG 51 HB3 ARG 51 10.284 6.740 10.503 346 1HG ARG 51 HG2 ARG 51 11.727 4.840 10.054 347 2HG ARG 51 HG3 ARG 51 12.926 5.876 9.263 348 1HD ARG 51 HD2 ARG 51 13.252 7.130 11.365 349 2HD ARG 51 HD3 ARG 51 12.053 6.099 12.174 350 HE ARG 51 HE ARG 51 13.943 4.338 11.153 351 1HH1 ARG 51 HH21 ARG 51 13.958 7.043 13.456 352 2HH1 ARG 51 HH22 ARG 51 15.307 6.460 14.354 353 1HH2 ARG 51 HH11 ARG 51 15.747 3.543 12.366 354 2HH2 ARG 51 HH12 ARG 51 16.326 4.427 13.734 355 H GLU 52 H GLU 52 9.822 9.217 7.664 356 HA GLU 52 HA GLU 52 7.213 9.358 8.775 357 1HB GLU 52 HB2 GLU 52 8.254 10.883 6.345 358 2HB GLU 52 HB3 GLU 52 6.835 11.281 7.310 359 1HG GLU 52 HG2 GLU 52 8.383 11.514 9.319 360 2HG GLU 52 HG3 GLU 52 9.730 11.387 8.181 361 H LEU 53 H LEU 53 8.371 8.031 5.707 362 HA LEU 53 HA LEU 53 5.756 7.989 4.467 363 1HB LEU 53 HB2 LEU 53 8.322 6.623 3.577 364 2HB LEU 53 HB3 LEU 53 6.898 6.946 2.597 365 HG LEU 53 HG LEU 53 8.834 9.013 3.729 366 1HD1 LEU 53 HD11 LEU 53 9.729 7.795 1.837 367 2HD1 LEU 53 HD12 LEU 53 8.246 8.079 0.895 368 3HD1 LEU 53 HD13 LEU 53 9.307 9.437 1.332 369 1HD2 LEU 53 HD21 LEU 53 6.614 10.023 3.743 370 2HD2 LEU 53 HD22 LEU 53 7.552 10.688 2.412 371 3HD2 LEU 53 HD23 LEU 53 6.308 9.460 2.080 372 H ARG 54 H ARG 54 7.318 5.990 6.724 373 HA ARG 54 HA ARG 54 7.458 3.746 7.139 374 1HB ARG 54 HB2 ARG 54 4.442 4.098 7.039 375 2HB ARG 54 HB3 ARG 54 5.329 2.800 7.849 376 1HG ARG 54 HG2 ARG 54 6.514 4.634 9.219 377 2HG ARG 54 HG3 ARG 54 5.345 5.770 8.532 378 1HD ARG 54 HD2 ARG 54 4.528 5.094 10.679 379 2HD ARG 54 HD3 ARG 54 3.494 4.336 9.451 380 HE ARG 54 HE ARG 54 5.725 2.648 10.234 381 1HH1 ARG 54 HH21 ARG 54 2.483 3.685 11.300 382 2HH1 ARG 54 HH22 ARG 54 2.174 2.259 12.219 383 1HH2 ARG 54 HH11 ARG 54 5.324 0.775 11.434 384 2HH2 ARG 54 HH12 ARG 54 3.833 0.553 12.308 385 HA PRO 55 HA PRO 55 6.866 2.872 2.583 386 1HB PRO 55 HB2 PRO 55 9.496 1.455 2.959 387 2HB PRO 55 HB3 PRO 55 8.962 2.505 1.622 388 1HG PRO 55 HG2 PRO 55 10.668 3.420 3.520 389 2HG PRO 55 HG3 PRO 55 9.360 4.461 2.893 390 1HD PRO 55 HD2 PRO 55 9.422 2.950 5.491 391 2HD PRO 55 HD3 PRO 55 8.842 4.591 5.140 392 H THR 56 H THR 56 6.040 1.005 1.607 393 HA THR 56 HA THR 56 5.774 -1.437 3.197 394 HB THR 56 HB THR 56 5.249 -1.065 0.240 395 HG1 THR 56 HG1 THR 56 3.576 -0.342 2.408 396 1HG2 THR 56 HG21 THR 56 3.932 -2.837 2.348 397 2HG2 THR 56 HG22 THR 56 3.436 -2.722 0.646 398 3HG2 THR 56 HG23 THR 56 5.030 -3.376 1.058 399 H ARG 57 H ARG 57 7.761 -0.136 0.527 400 HA ARG 57 HA ARG 57 9.790 -2.196 1.043 401 1HB ARG 57 HB2 ARG 57 8.734 -1.598 -1.746 402 2HB ARG 57 HB3 ARG 57 10.141 -2.595 -1.375 403 1HG ARG 57 HG2 ARG 57 8.667 -4.188 -0.142 404 2HG ARG 57 HG3 ARG 57 7.253 -3.249 -0.648 405 1HD ARG 57 HD2 ARG 57 9.234 -4.612 -2.519 406 2HD ARG 57 HD3 ARG 57 7.614 -5.201 -2.101 407 HE ARG 57 HE ARG 57 7.615 -2.483 -3.179 408 1HH1 ARG 57 HH11 ARG 57 7.684 -5.887 -4.197 409 2HH1 ARG 57 HH12 ARG 57 7.096 -5.562 -5.792 410 1HH2 ARG 57 HH21 ARG 57 6.747 -2.041 -5.088 411 2HH2 ARG 57 HH22 ARG 57 6.431 -3.275 -6.299 412 H LEU 58 H LEU 58 11.863 -1.544 0.233 413 HA LEU 58 HA LEU 58 12.131 1.292 -0.652 414 1HB LEU 58 HB2 LEU 58 12.390 1.376 1.751 415 2HB LEU 58 HB3 LEU 58 13.440 -0.042 1.739 416 HG LEU 58 HG LEU 58 15.206 1.234 0.589 417 1HD1 LEU 58 HD11 LEU 58 13.886 2.936 -0.627 418 2HD1 LEU 58 HD12 LEU 58 13.368 3.648 0.919 419 3HD1 LEU 58 HD13 LEU 58 15.073 3.688 0.420 420 1HD2 LEU 58 HD21 LEU 58 15.828 2.660 2.492 421 2HD2 LEU 58 HD22 LEU 58 14.158 2.595 3.102 422 3HD2 LEU 58 HD23 LEU 58 15.146 1.129 3.058 423 H LEU 59 H LEU 59 13.776 1.560 -2.101 424 HA LEU 59 HA LEU 59 15.642 -0.697 -2.654 425 1HB LEU 59 HB2 LEU 59 13.990 -0.694 -4.435 426 2HB LEU 59 HB3 LEU 59 14.075 1.066 -4.573 427 HG LEU 59 HG LEU 59 16.394 0.920 -5.421 428 1HD1 LEU 59 HD11 LEU 59 17.153 -1.199 -4.373 429 2HD1 LEU 59 HD12 LEU 59 15.981 -2.103 -5.355 430 3HD1 LEU 59 HD13 LEU 59 17.338 -1.251 -6.122 431 1HD2 LEU 59 HD21 LEU 59 15.824 0.040 -7.622 432 2HD2 LEU 59 HD22 LEU 59 14.434 -0.836 -6.944 433 3HD2 LEU 59 HD23 LEU 59 14.452 0.934 -6.944 434 H ILE 60 H ILE 60 17.731 0.001 -2.646 435 HA ILE 60 HA ILE 60 18.252 2.915 -2.485 436 HB ILE 60 HB ILE 60 19.660 0.580 -1.167 437 1HG1 ILE 60 HG12 ILE 60 17.828 2.519 0.289 438 2HG1 ILE 60 HG13 ILE 60 17.303 0.940 -0.271 439 1HG2 ILE 60 HG21 ILE 60 20.819 2.318 0.190 440 2HG2 ILE 60 HG22 ILE 60 21.090 2.620 -1.519 441 3HG2 ILE 60 HG23 ILE 60 19.896 3.585 -0.641 442 1HD1 ILE 60 HD11 ILE 60 19.534 1.364 1.720 443 2HD1 ILE 60 HD12 ILE 60 17.887 0.800 2.036 444 3HD1 ILE 60 HD13 ILE 60 18.978 -0.191 1.043 445 H VAL 61 H VAL 61 20.074 3.679 -3.723 446 HA VAL 61 HA VAL 61 21.457 1.655 -5.423 447 HB VAL 61 HB VAL 61 20.056 4.115 -6.543 448 1HG1 VAL 61 HG11 VAL 61 21.649 1.858 -7.826 449 2HG1 VAL 61 HG12 VAL 61 20.618 2.966 -8.752 450 3HG1 VAL 61 HG13 VAL 61 22.005 3.594 -7.867 451 1HG2 VAL 61 HG21 VAL 61 18.325 2.499 -5.973 452 2HG2 VAL 61 HG22 VAL 61 18.552 2.503 -7.719 453 3HG2 VAL 61 HG23 VAL 61 19.240 1.190 -6.744 454 H ASP 62 H ASP 62 23.541 2.060 -5.783 455 HA ASP 62 HA ASP 62 24.686 4.663 -6.116 456 1HB ASP 62 HB2 ASP 62 24.695 4.501 -3.636 457 2HB ASP 62 HB3 ASP 62 25.620 3.006 -3.739 458 H ALA 63 H ALA 63 27.208 4.178 -6.491 459 HA ALA 63 HA ALA 63 27.540 1.804 -8.173 460 1HB ALA 63 HB1 ALA 63 28.680 3.913 -8.770 461 2HB ALA 63 HB2 ALA 63 29.526 3.912 -7.202 462 3HB ALA 63 HB3 ALA 63 29.856 2.643 -8.401 463 H THR 64 H THR 64 29.185 0.139 -7.628 464 HA THR 64 HA THR 64 30.223 -0.020 -4.908 465 HB THR 64 HB THR 64 28.382 -2.254 -5.878 466 HG1 THR 64 HG1 THR 64 27.750 0.094 -4.569 467 1HG2 THR 64 HG21 THR 64 28.402 -2.882 -3.474 468 2HG2 THR 64 HG22 THR 64 30.024 -2.909 -4.183 469 3HG2 THR 64 HG23 THR 64 29.530 -1.552 -3.142 470 H ASP 65 H ASP 65 32.235 -1.063 -5.116 471 HA ASP 65 HA ASP 65 32.967 -2.138 -7.735 472 1HB ASP 65 HB2 ASP 65 34.673 -0.981 -6.462 473 2HB ASP 65 HB3 ASP 65 34.487 -2.113 -5.109 474 H MET 66 H MET 66 32.611 -4.109 -8.395 475 HA MET 66 HA MET 66 32.048 -6.312 -6.470 476 1HB MET 66 HB2 MET 66 30.807 -5.598 -9.177 477 2HB MET 66 HB3 MET 66 30.494 -7.102 -8.299 478 1HG MET 66 HG2 MET 66 29.631 -5.863 -6.376 479 2HG MET 66 HG3 MET 66 29.939 -4.330 -7.166 480 1HE MET 66 HE1 MET 66 27.328 -3.973 -9.896 481 2HE MET 66 HE2 MET 66 28.434 -3.142 -8.771 482 3HE MET 66 HE3 MET 66 29.079 -4.303 -9.942 483 H GLY 67 H GLY 67 34.413 -5.188 -8.535 484 1HA GLY 67 HA2 GLY 67 36.102 -6.151 -9.709 485 2HA GLY 67 HA3 GLY 67 35.698 -7.711 -8.970 486 H LEU 68 H LEU 68 33.319 -5.863 -10.828 487 HA LEU 68 HA LEU 68 33.194 -8.020 -12.885 488 1HB LEU 68 HB2 LEU 68 31.205 -5.852 -12.080 489 2HB LEU 68 HB3 LEU 68 30.942 -7.026 -13.364 490 HG LEU 68 HG LEU 68 31.285 -7.726 -10.446 491 1HD1 LEU 68 HD11 LEU 68 28.792 -7.743 -12.192 492 2HD1 LEU 68 HD12 LEU 68 28.890 -8.231 -10.486 493 3HD1 LEU 68 HD13 LEU 68 29.159 -6.541 -10.938 494 1HD2 LEU 68 HD21 LEU 68 30.487 -9.969 -11.103 495 2HD2 LEU 68 HD22 LEU 68 30.556 -9.496 -12.816 496 3HD2 LEU 68 HD23 LEU 68 32.041 -9.591 -11.839 497 H ASN 69 H ASN 69 32.035 -6.720 -14.892 498 HA ASN 69 HA ASN 69 34.160 -5.045 -16.073 499 1HB ASN 69 HB2 ASN 69 32.874 -6.738 -17.423 500 2HB ASN 69 HB3 ASN 69 31.411 -5.787 -17.180 501 1HD2 ASN 69 HD22 ASN 69 31.373 -3.489 -18.170 502 2HD2 ASN 69 HD21 ASN 69 32.379 -3.247 -19.565 503 HA PRO 70 HA PRO 70 32.347 -1.154 -14.584 504 1HB PRO 70 HB2 PRO 70 32.930 -0.336 -17.440 505 2HB PRO 70 HB3 PRO 70 33.134 0.618 -15.936 506 1HG PRO 70 HG2 PRO 70 35.276 -0.617 -17.024 507 2HG PRO 70 HG3 PRO 70 35.002 -0.754 -15.256 508 1HD PRO 70 HD2 PRO 70 34.387 -2.774 -17.406 509 2HD PRO 70 HD3 PRO 70 35.080 -3.026 -15.775 510 H GLY 71 H GLY 71 30.271 -0.412 -14.473 511 1HA GLY 71 HA2 GLY 71 28.140 0.120 -15.121 512 2HA GLY 71 HA3 GLY 71 28.518 -0.344 -16.783 513 H GLU 72 H GLU 72 29.324 -3.045 -14.834 514 HA GLU 72 HA GLU 72 26.864 -4.466 -15.447 515 1HB GLU 72 HB2 GLU 72 29.332 -5.064 -13.765 516 2HB GLU 72 HB3 GLU 72 27.922 -6.108 -13.703 517 1HG GLU 72 HG2 GLU 72 29.359 -5.424 -16.291 518 2HG GLU 72 HG3 GLU 72 29.707 -6.856 -15.321 519 H ILE 73 H ILE 73 25.370 -5.201 -13.890 520 HA ILE 73 HA ILE 73 24.978 -3.387 -11.564 521 HB ILE 73 HB ILE 73 22.916 -4.318 -13.625 522 1HG1 ILE 73 HG12 ILE 73 24.217 -1.578 -13.319 523 2HG1 ILE 73 HG13 ILE 73 24.431 -2.700 -14.659 524 1HG2 ILE 73 HG21 ILE 73 21.449 -2.651 -12.430 525 2HG2 ILE 73 HG22 ILE 73 21.912 -4.014 -11.436 526 3HG2 ILE 73 HG23 ILE 73 22.756 -2.463 -11.231 527 1HD1 ILE 73 HD11 ILE 73 21.902 -1.173 -14.021 528 2HD1 ILE 73 HD12 ILE 73 22.954 -1.051 -15.434 529 3HD1 ILE 73 HD13 ILE 73 22.000 -2.513 -15.198 530 H ARG 74 H ARG 74 24.261 -4.473 -9.691 531 HA ARG 74 HA ARG 74 23.035 -7.145 -9.987 532 1HB ARG 74 HB2 ARG 74 25.471 -6.657 -8.232 533 2HB ARG 74 HB3 ARG 74 24.484 -8.106 -8.221 534 1HG ARG 74 HG2 ARG 74 26.113 -7.195 -10.611 535 2HG ARG 74 HG3 ARG 74 26.676 -8.319 -9.381 536 1HD ARG 74 HD2 ARG 74 24.884 -9.907 -9.934 537 2HD ARG 74 HD3 ARG 74 24.266 -8.816 -11.176 538 HE ARG 74 HE ARG 74 26.687 -10.511 -11.271 539 1HH1 ARG 74 HH11 ARG 74 25.025 -7.723 -12.850 540 2HH1 ARG 74 HH12 ARG 74 26.014 -7.915 -14.302 541 1HH2 ARG 74 HH21 ARG 74 27.761 -10.712 -13.319 542 2HH2 ARG 74 HH22 ARG 74 27.490 -9.451 -14.531 543 H ILE 75 H ILE 75 21.738 -7.669 -8.193 544 HA ILE 75 HA ILE 75 21.080 -5.540 -6.257 545 HB ILE 75 HB ILE 75 20.175 -8.448 -6.494 546 1HG1 ILE 75 HG12 ILE 75 19.389 -7.289 -8.426 547 2HG1 ILE 75 HG13 ILE 75 18.033 -7.510 -7.340 548 1HG2 ILE 75 HG21 ILE 75 19.834 -7.757 -4.200 549 2HG2 ILE 75 HG22 ILE 75 19.066 -6.244 -4.718 550 3HG2 ILE 75 HG23 ILE 75 18.280 -7.803 -5.021 551 1HD1 ILE 75 HD11 ILE 75 17.921 -5.312 -8.316 552 2HD1 ILE 75 HD12 ILE 75 18.245 -5.143 -6.581 553 3HD1 ILE 75 HD13 ILE 75 19.556 -4.918 -7.769 554 H ILE 76 H ILE 76 21.574 -5.785 -3.921 555 HA ILE 76 HA ILE 76 23.550 -7.906 -3.263 556 HB ILE 76 HB ILE 76 23.948 -5.065 -2.297 557 1HG1 ILE 76 HG12 ILE 76 25.265 -6.326 -4.745 558 2HG1 ILE 76 HG13 ILE 76 24.236 -4.895 -4.721 559 1HG2 ILE 76 HG21 ILE 76 24.944 -6.976 -1.020 560 2HG2 ILE 76 HG22 ILE 76 25.845 -7.441 -2.472 561 3HG2 ILE 76 HG23 ILE 76 26.164 -5.894 -1.660 562 1HD1 ILE 76 HD11 ILE 76 27.062 -5.137 -3.647 563 2HD1 ILE 76 HD12 ILE 76 26.450 -4.093 -4.933 564 3HD1 ILE 76 HD13 ILE 76 26.004 -3.772 -3.241 565 H ASP 77 H ASP 77 23.205 -8.779 -1.237 566 HA ASP 77 HA ASP 77 20.741 -8.078 0.224 567 1HB ASP 77 HB2 ASP 77 21.422 -10.460 -0.139 568 2HB ASP 77 HB3 ASP 77 22.910 -10.164 0.749 569 HA PRO 78 HA PRO 78 22.852 -5.319 3.095 570 1HB PRO 78 HB2 PRO 78 21.290 -6.869 5.168 571 2HB PRO 78 HB3 PRO 78 21.591 -5.103 5.086 572 1HG PRO 78 HG2 PRO 78 19.249 -6.098 4.175 573 2HG PRO 78 HG3 PRO 78 20.127 -4.868 3.210 574 1HD PRO 78 HD2 PRO 78 19.979 -7.827 2.760 575 2HD PRO 78 HD3 PRO 78 19.980 -6.485 1.574 576 H ASP 79 H ASP 79 22.891 -8.803 3.922 577 HA ASP 79 HA ASP 79 25.085 -8.578 5.807 578 1HB ASP 79 HB2 ASP 79 23.516 -10.480 5.811 579 2HB ASP 79 HB3 ASP 79 24.074 -10.955 4.202 580 H ASP 80 H ASP 80 24.853 -8.706 2.320 581 HA ASP 80 HA ASP 80 27.712 -9.387 1.985 582 1HB ASP 80 HB2 ASP 80 25.925 -10.569 0.648 583 2HB ASP 80 HB3 ASP 80 25.548 -9.050 -0.140 584 H ILE 81 H ILE 81 25.423 -6.711 1.625 585 HA ILE 81 HA ILE 81 27.008 -4.754 0.347 586 HB ILE 81 HB ILE 81 24.983 -4.578 2.603 587 1HG1 ILE 81 HG12 ILE 81 24.820 -3.840 -0.352 588 2HG1 ILE 81 HG13 ILE 81 24.140 -5.280 0.394 589 1HG2 ILE 81 HG21 ILE 81 26.493 -2.549 2.754 590 2HG2 ILE 81 HG22 ILE 81 25.984 -2.148 1.103 591 3HG2 ILE 81 HG23 ILE 81 24.811 -2.194 2.423 592 1HD1 ILE 81 HD11 ILE 81 22.878 -3.537 1.946 593 2HD1 ILE 81 HD12 ILE 81 23.196 -2.444 0.589 594 3HD1 ILE 81 HD13 ILE 81 22.269 -3.954 0.348 595 H ALA 82 H ALA 82 26.942 -5.741 3.751 596 HA ALA 82 HA ALA 82 28.698 -3.927 4.865 597 1HB ALA 82 HB1 ALA 82 27.376 -5.636 6.106 598 2HB ALA 82 HB2 ALA 82 28.481 -6.897 5.502 599 3HB ALA 82 HB3 ALA 82 29.086 -5.634 6.595 600 H GLU 83 H GLU 83 29.542 -6.676 2.810 601 HA GLU 83 HA GLU 83 32.440 -6.328 3.404 602 1HB GLU 83 HB2 GLU 83 30.959 -8.435 1.770 603 2HB GLU 83 HB3 GLU 83 32.693 -8.415 2.076 604 1HG GLU 83 HG2 GLU 83 30.519 -8.731 4.199 605 2HG GLU 83 HG3 GLU 83 31.476 -10.028 3.503 606 H MET 84 H MET 84 30.016 -6.100 0.824 607 HA MET 84 HA MET 84 32.027 -5.693 -1.215 608 1HB MET 84 HB2 MET 84 28.994 -5.539 -1.255 609 2HB MET 84 HB3 MET 84 30.002 -5.305 -2.691 610 1HG MET 84 HG2 MET 84 30.093 -7.793 -0.935 611 2HG MET 84 HG3 MET 84 29.159 -7.641 -2.408 612 1HE MET 84 HE1 MET 84 30.207 -9.827 -3.358 613 2HE MET 84 HE2 MET 84 31.954 -10.137 -3.471 614 3HE MET 84 HE3 MET 84 31.173 -10.014 -1.878 615 H PHE 85 H PHE 85 30.125 -3.448 0.784 616 HA PHE 85 HA PHE 85 30.632 -1.178 -0.905 617 1HB PHE 85 HB2 PHE 85 29.595 -1.610 1.855 618 2HB PHE 85 HB3 PHE 85 30.505 -0.130 1.630 619 HD1 PHE 85 HD1 PHE 85 29.238 1.740 1.138 620 HD2 PHE 85 HD2 PHE 85 27.981 -2.098 -0.421 621 HE1 PHE 85 HE1 PHE 85 27.345 2.828 -0.042 622 HE2 PHE 85 HE2 PHE 85 26.092 -0.999 -1.562 623 HZ PHE 85 HZ PHE 85 25.769 1.466 -1.381 624 H MET 86 H MET 86 32.487 -2.591 1.840 625 HA MET 86 HA MET 86 34.517 -0.556 1.646 626 1HB MET 86 HB2 MET 86 35.780 -1.837 3.233 627 2HB MET 86 HB3 MET 86 34.095 -1.747 3.752 628 1HG MET 86 HG2 MET 86 33.704 -4.042 3.069 629 2HG MET 86 HG3 MET 86 35.301 -4.140 2.310 630 1HE MET 86 HE1 MET 86 35.953 -6.619 5.156 631 2HE MET 86 HE2 MET 86 34.536 -6.463 4.098 632 3HE MET 86 HE3 MET 86 36.168 -6.240 3.432 633 H MET 87 H MET 87 33.872 -3.067 -0.503 634 HA MET 87 HA MET 87 36.387 -4.192 -0.985 635 1HB MET 87 HB2 MET 87 34.077 -4.904 -1.821 636 2HB MET 87 HB3 MET 87 34.226 -3.655 -3.059 637 1HG MET 87 HG2 MET 87 34.820 -5.814 -3.966 638 2HG MET 87 HG3 MET 87 36.226 -4.762 -3.948 639 1HE MET 87 HE1 MET 87 34.439 -7.870 -2.355 640 2HE MET 87 HE2 MET 87 35.588 -8.397 -1.108 641 3HE MET 87 HE3 MET 87 34.673 -6.894 -0.884 642 H THR 88 H THR 88 35.172 -0.989 -1.889 643 HA THR 88 HA THR 88 36.884 -0.410 -4.077 644 HB THR 88 HB THR 88 36.377 1.975 -3.308 645 HG1 THR 88 HG1 THR 88 34.981 2.192 -1.601 646 1HG2 THR 88 HG21 THR 88 33.958 1.832 -3.815 647 2HG2 THR 88 HG22 THR 88 34.894 0.801 -4.908 648 3HG2 THR 88 HG23 THR 88 33.989 0.073 -3.561 649 H THR 89 H THR 89 37.170 0.343 -0.619 650 HA THR 89 HA THR 89 39.923 -0.361 -0.425 651 HB THR 89 HB THR 89 40.185 2.315 0.471 652 HG1 THR 89 HG1 THR 89 38.532 3.040 -0.852 653 1HG2 THR 89 HG21 THR 89 41.913 2.520 -1.239 654 2HG2 THR 89 HG22 THR 89 41.989 0.942 -0.442 655 3HG2 THR 89 HG23 THR 89 41.298 1.076 -2.072 656 H HIS 90 H HIS 90 37.286 1.641 1.003 657 HA HIS 90 HA HIS 90 37.433 0.126 3.490 658 1HB HIS 90 HB2 HIS 90 39.248 1.822 3.799 659 2HB HIS 90 HB3 HIS 90 38.083 3.111 3.511 660 HD1 HIS 90 HD1 HIS 90 38.783 0.310 6.113 661 HD2 HIS 90 HD2 HIS 90 36.658 3.911 5.594 662 HE1 HIS 90 HE1 HIS 90 37.841 0.920 8.397 663 H ASN 91 H ASN 91 36.193 3.127 1.903 664 HA ASN 91 HA ASN 91 34.136 4.058 1.783 665 1HB ASN 91 HB2 ASN 91 34.014 1.825 0.496 666 2HB ASN 91 HB3 ASN 91 33.022 1.236 1.820 667 1HD2 ASN 91 HD22 ASN 91 32.146 1.337 -0.809 668 2HD2 ASN 91 HD21 ASN 91 30.873 2.544 -0.972 669 H MET 92 H MET 92 31.681 2.516 2.986 670 HA MET 92 HA MET 92 32.209 2.611 5.872 671 1HB MET 92 HB2 MET 92 29.837 3.984 4.514 672 2HB MET 92 HB3 MET 92 30.070 3.796 6.255 673 1HG MET 92 HG2 MET 92 32.161 5.154 6.087 674 2HG MET 92 HG3 MET 92 31.805 5.446 4.385 675 1HE MET 92 HE1 MET 92 28.536 5.926 4.473 676 2HE MET 92 HE2 MET 92 28.585 7.697 4.539 677 3HE MET 92 HE3 MET 92 29.726 6.822 3.496 678 HA PRO 93 HA PRO 93 29.863 -1.154 5.030 679 1HB PRO 93 HB2 PRO 93 29.418 -2.126 7.536 680 2HB PRO 93 HB3 PRO 93 31.056 -1.979 6.850 681 1HG PRO 93 HG2 PRO 93 29.653 -0.022 8.698 682 2HG PRO 93 HG3 PRO 93 31.293 -0.720 8.868 683 1HD PRO 93 HD2 PRO 93 30.850 1.739 7.738 684 2HD PRO 93 HD3 PRO 93 32.164 0.661 7.184 685 H LEU 94 H LEU 94 28.386 0.799 4.329 686 HA LEU 94 HA LEU 94 26.389 1.917 5.745 687 1HB LEU 94 HB2 LEU 94 27.184 1.672 2.960 688 2HB LEU 94 HB3 LEU 94 25.434 1.741 3.055 689 HG LEU 94 HG LEU 94 27.279 3.710 4.478 690 1HD1 LEU 94 HD11 LEU 94 26.673 5.322 2.686 691 2HD1 LEU 94 HD12 LEU 94 27.588 3.938 2.074 692 3HD1 LEU 94 HD13 LEU 94 25.828 4.021 1.817 693 1HD2 LEU 94 HD21 LEU 94 25.257 5.134 4.657 694 2HD2 LEU 94 HD22 LEU 94 24.281 3.857 3.893 695 3HD2 LEU 94 HD23 LEU 94 25.010 3.600 5.489 696 H ASN 95 H ASN 95 26.161 -1.374 5.075 697 HA ASN 95 HA ASN 95 23.339 -1.711 4.960 698 1HB ASN 95 HB2 ASN 95 23.695 -3.895 5.404 699 2HB ASN 95 HB3 ASN 95 25.331 -3.498 4.909 700 1HD2 ASN 95 HD22 ASN 95 26.670 -2.531 7.098 701 2HD2 ASN 95 HD21 ASN 95 26.513 -3.638 8.431 702 H TYR 96 H TYR 96 25.350 -0.429 7.565 703 HA TYR 96 HA TYR 96 23.606 -0.930 9.741 704 1HB TYR 96 HB2 TYR 96 24.717 0.901 10.857 705 2HB TYR 96 HB3 TYR 96 25.872 -0.127 10.031 706 HD1 TYR 96 HD1 TYR 96 27.515 0.815 8.688 707 HD2 TYR 96 HD2 TYR 96 24.053 3.200 9.667 708 HE1 TYR 96 HE1 TYR 96 28.577 2.783 7.645 709 HE2 TYR 96 HE2 TYR 96 25.116 5.159 8.654 710 HH TYR 96 HH TYR 96 27.048 6.040 7.729 711 H LEU 97 H LEU 97 23.257 1.364 7.049 712 HA LEU 97 HA LEU 97 21.215 3.002 8.272 713 1HB LEU 97 HB2 LEU 97 22.377 3.696 6.269 714 2HB LEU 97 HB3 LEU 97 21.838 2.291 5.360 715 HG LEU 97 HG LEU 97 19.721 4.086 6.538 716 1HD1 LEU 97 HD11 LEU 97 21.386 5.622 5.519 717 2HD1 LEU 97 HD12 LEU 97 21.236 4.742 3.984 718 3HD1 LEU 97 HD13 LEU 97 19.842 5.626 4.661 719 1HD2 LEU 97 HD21 LEU 97 19.930 2.567 3.898 720 2HD2 LEU 97 HD22 LEU 97 18.909 2.132 5.284 721 3HD2 LEU 97 HD23 LEU 97 18.565 3.595 4.376 722 H ILE 98 H ILE 98 21.203 0.044 6.282 723 HA ILE 98 HA ILE 98 18.359 -0.193 6.138 724 HB ILE 98 HB ILE 98 20.547 -2.294 5.771 725 1HG1 ILE 98 HG12 ILE 98 19.074 -0.615 3.694 726 2HG1 ILE 98 HG13 ILE 98 20.702 -0.270 4.265 727 1HG2 ILE 98 HG21 ILE 98 18.507 -3.479 6.140 728 2HG2 ILE 98 HG22 ILE 98 17.570 -2.345 5.162 729 3HG2 ILE 98 HG23 ILE 98 18.713 -3.459 4.394 730 1HD1 ILE 98 HD11 ILE 98 21.004 -1.378 2.226 731 2HD1 ILE 98 HD12 ILE 98 21.409 -2.564 3.482 732 3HD1 ILE 98 HD13 ILE 98 19.845 -2.651 2.619 733 H ASP 99 H ASP 99 20.828 -1.648 8.326 734 HA ASP 99 HA ASP 99 19.042 -3.335 9.663 735 1HB ASP 99 HB2 ASP 99 21.550 -3.406 9.739 736 2HB ASP 99 HB3 ASP 99 21.532 -2.000 10.809 737 H GLN 100 H GLN 100 19.299 0.101 9.963 738 HA GLN 100 HA GLN 100 17.806 0.155 12.539 739 1HB GLN 100 HB2 GLN 100 19.352 2.274 10.990 740 2HB GLN 100 HB3 GLN 100 18.433 2.601 12.463 741 1HG GLN 100 HG2 GLN 100 19.826 1.080 13.765 742 2HG GLN 100 HG3 GLN 100 20.732 0.604 12.325 743 1HE2 GLN 100 HE22 GLN 100 22.037 2.225 11.223 744 2HE2 GLN 100 HE21 GLN 100 22.687 3.595 12.123 745 H LEU 101 H LEU 101 16.924 -0.216 9.444 746 HA LEU 101 HA LEU 101 14.569 1.611 9.632 747 1HB LEU 101 HB2 LEU 101 16.418 2.630 8.348 748 2HB LEU 101 HB3 LEU 101 16.468 1.222 7.288 749 HG LEU 101 HG LEU 101 14.288 1.751 6.378 750 1HD1 LEU 101 HD11 LEU 101 13.132 3.905 6.950 751 2HD1 LEU 101 HD12 LEU 101 13.102 2.748 8.279 752 3HD1 LEU 101 HD13 LEU 101 14.244 4.111 8.313 753 1HD2 LEU 101 HD21 LEU 101 16.095 4.202 6.490 754 2HD2 LEU 101 HD22 LEU 101 16.295 2.802 5.412 755 3HD2 LEU 101 HD23 LEU 101 14.883 3.848 5.246 756 H LYS 102 H LYS 102 15.943 -1.416 8.455 757 HA LYS 102 HA LYS 102 13.806 -2.486 7.013 758 1HB LYS 102 HB2 LYS 102 14.836 -4.596 7.386 759 2HB LYS 102 HB3 LYS 102 16.166 -3.434 7.374 760 1HG LYS 102 HG2 LYS 102 16.116 -3.431 9.897 761 2HG LYS 102 HG3 LYS 102 14.880 -4.702 9.825 762 1HD LYS 102 HD2 LYS 102 16.501 -6.142 8.550 763 2HD LYS 102 HD3 LYS 102 17.741 -4.900 8.824 764 1HE LYS 102 HE2 LYS 102 17.124 -5.082 11.340 765 2HE LYS 102 HE3 LYS 102 16.185 -6.511 10.902 766 1HZ LYS 102 HZ1 LYS 102 18.384 -7.365 9.958 767 2HZ LYS 102 HZ2 LYS 102 19.103 -6.133 10.810 768 3HZ LYS 102 HZ3 LYS 102 18.259 -7.283 11.583 769 H GLU 103 H GLU 103 13.999 -1.841 10.431 770 HA GLU 103 HA GLU 103 12.341 -3.836 11.469 771 1HB GLU 103 HB2 GLU 103 12.879 -0.988 12.416 772 2HB GLU 103 HB3 GLU 103 12.104 -2.223 13.405 773 1HG GLU 103 HG2 GLU 103 14.928 -2.450 12.268 774 2HG GLU 103 HG3 GLU 103 14.530 -1.904 13.889 775 H ASP 104 H ASP 104 11.382 -1.088 9.548 776 HA ASP 104 HA ASP 104 8.525 -1.540 10.321 777 1HB ASP 104 HB2 ASP 104 9.650 0.577 11.205 778 2HB ASP 104 HB3 ASP 104 9.766 1.091 9.514 779 H ILE 105 H ILE 105 10.512 -2.244 7.946 780 HA ILE 105 HA ILE 105 8.671 -1.459 5.727 781 HB ILE 105 HB ILE 105 11.708 -1.658 5.681 782 1HG1 ILE 105 HG12 ILE 105 9.835 0.739 5.464 783 2HG1 ILE 105 HG13 ILE 105 10.937 0.395 6.792 784 1HG2 ILE 105 HG21 ILE 105 10.752 -2.433 3.566 785 2HG2 ILE 105 HG22 ILE 105 9.754 -0.966 3.438 786 3HG2 ILE 105 HG23 ILE 105 11.525 -0.896 3.317 787 1HD1 ILE 105 HD11 ILE 105 11.982 2.077 5.509 788 2HD1 ILE 105 HD12 ILE 105 12.856 0.569 5.140 789 3HD1 ILE 105 HD13 ILE 105 11.687 1.240 3.984 790 H GLY 106 H GLY 106 8.214 -3.053 4.174 791 1HA GLY 106 HA2 GLY 106 8.199 -5.752 5.189 792 2HA GLY 106 HA3 GLY 106 7.562 -5.161 3.645 793 H GLU 107 H GLU 107 10.013 -4.021 2.569 794 HA GLU 107 HA GLU 107 12.038 -6.145 2.653 795 1HB GLU 107 HB2 GLU 107 10.307 -6.682 0.803 796 2HB GLU 107 HB3 GLU 107 10.808 -5.173 0.031 797 1HG GLU 107 HG2 GLU 107 11.987 -6.975 -1.026 798 2HG GLU 107 HG3 GLU 107 13.154 -6.059 -0.083 799 H VAL 108 H VAL 108 14.091 -5.217 2.414 800 HA VAL 108 HA VAL 108 14.230 -2.489 1.250 801 HB VAL 108 HB VAL 108 15.915 -3.500 3.567 802 1HG1 VAL 108 HG11 VAL 108 16.636 -1.031 3.557 803 2HG1 VAL 108 HG12 VAL 108 17.202 -1.990 2.182 804 3HG1 VAL 108 HG13 VAL 108 15.828 -0.888 1.989 805 1HG2 VAL 108 HG21 VAL 108 14.815 -1.760 4.919 806 2HG2 VAL 108 HG22 VAL 108 13.725 -1.393 3.570 807 3HG2 VAL 108 HG23 VAL 108 13.655 -2.977 4.372 808 H ILE 109 H ILE 109 15.498 -2.433 -0.466 809 HA ILE 109 HA ILE 109 17.177 -4.793 -1.165 810 HB ILE 109 HB ILE 109 15.526 -2.972 -2.971 811 1HG1 ILE 109 HG12 ILE 109 14.615 -5.777 -2.231 812 2HG1 ILE 109 HG13 ILE 109 14.062 -4.364 -1.335 813 1HG2 ILE 109 HG21 ILE 109 17.339 -4.149 -4.148 814 2HG2 ILE 109 HG22 ILE 109 16.796 -5.704 -3.479 815 3HG2 ILE 109 HG23 ILE 109 15.793 -4.819 -4.639 816 1HD1 ILE 109 HD11 ILE 109 13.572 -4.791 -4.281 817 2HD1 ILE 109 HD12 ILE 109 12.408 -4.872 -2.940 818 3HD1 ILE 109 HD13 ILE 109 13.173 -3.325 -3.341 819 H PHE 110 H PHE 110 19.118 -4.262 -2.378 820 HA PHE 110 HA PHE 110 19.668 -1.396 -2.826 821 1HB PHE 110 HB2 PHE 110 20.918 -2.005 -0.793 822 2HB PHE 110 HB3 PHE 110 21.597 -3.401 -1.644 823 HD1 PHE 110 HD1 PHE 110 23.353 -3.157 -3.316 824 HD2 PHE 110 HD2 PHE 110 21.744 0.290 -1.316 825 HE1 PHE 110 HE1 PHE 110 25.152 -1.752 -4.268 826 HE2 PHE 110 HE2 PHE 110 23.463 1.720 -2.380 827 HZ PHE 110 HZ PHE 110 25.172 0.689 -3.878 828 H LEU 111 H LEU 111 20.734 -1.042 -4.757 829 HA LEU 111 HA LEU 111 21.526 -3.380 -6.415 830 1HB LEU 111 HB2 LEU 111 19.434 -2.544 -7.231 831 2HB LEU 111 HB3 LEU 111 19.976 -0.875 -7.174 832 HG LEU 111 HG LEU 111 21.489 -2.850 -8.889 833 1HD1 LEU 111 HD11 LEU 111 19.934 -2.329 -10.773 834 2HD1 LEU 111 HD12 LEU 111 19.126 -3.198 -9.478 835 3HD1 LEU 111 HD13 LEU 111 18.898 -1.437 -9.646 836 1HD2 LEU 111 HD21 LEU 111 21.715 -0.793 -10.363 837 2HD2 LEU 111 HD22 LEU 111 20.856 0.133 -9.132 838 3HD2 LEU 111 HD23 LEU 111 22.449 -0.578 -8.792 839 H GLY 112 H GLY 112 23.575 -3.247 -7.058 840 1HA GLY 112 HA2 GLY 112 25.109 -0.730 -6.613 841 2HA GLY 112 HA3 GLY 112 25.764 -2.358 -6.477 842 H ILE 113 H ILE 113 26.699 -0.241 -8.194 843 HA ILE 113 HA ILE 113 26.451 -1.553 -10.850 844 HB ILE 113 HB ILE 113 26.532 1.437 -10.260 845 1HG1 ILE 113 HG12 ILE 113 24.276 -0.115 -11.607 846 2HG1 ILE 113 HG13 ILE 113 24.276 0.336 -9.900 847 1HG2 ILE 113 HG21 ILE 113 26.389 1.758 -12.704 848 2HG2 ILE 113 HG22 ILE 113 27.832 0.864 -12.288 849 3HG2 ILE 113 HG23 ILE 113 26.437 -0.010 -12.944 850 1HD1 ILE 113 HD11 ILE 113 22.983 1.961 -11.048 851 2HD1 ILE 113 HD12 ILE 113 24.496 2.717 -10.515 852 3HD1 ILE 113 HD13 ILE 113 24.268 2.272 -12.227 853 H GLN 114 H GLN 114 28.490 -2.104 -11.592 854 HA GLN 114 HA GLN 114 30.810 -1.745 -10.030 855 1HB GLN 114 HB2 GLN 114 30.494 -3.573 -11.620 856 2HB GLN 114 HB3 GLN 114 30.448 -2.441 -12.967 857 1HG GLN 114 HG2 GLN 114 32.619 -3.517 -12.860 858 2HG GLN 114 HG3 GLN 114 32.816 -1.809 -12.538 859 1HE2 GLN 114 HE22 GLN 114 34.224 -1.403 -10.830 860 2HE2 GLN 114 HE21 GLN 114 34.534 -2.563 -9.518 861 HA PRO 115 HA PRO 115 31.881 2.436 -11.694 862 1HB PRO 115 HB2 PRO 115 33.679 3.179 -9.835 863 2HB PRO 115 HB3 PRO 115 31.933 3.142 -9.458 864 1HG PRO 115 HG2 PRO 115 34.018 1.013 -8.849 865 2HG PRO 115 HG3 PRO 115 32.815 1.730 -7.729 866 1HD PRO 115 HD2 PRO 115 32.389 -0.629 -9.057 867 2HD PRO 115 HD3 PRO 115 31.073 0.505 -8.663 868 H ASP 116 H ASP 116 33.945 3.331 -12.377 869 HA ASP 116 HA ASP 116 36.282 1.505 -12.663 870 1HB ASP 116 HB2 ASP 116 34.991 1.495 -14.778 871 2HB ASP 116 HB3 ASP 116 35.051 3.258 -14.828 872 H ILE 117 H ILE 117 34.926 4.805 -12.378 873 HA ILE 117 HA ILE 117 37.626 5.885 -11.821 874 HB ILE 117 HB ILE 117 36.162 6.221 -14.163 875 1HG1 ILE 117 HG12 ILE 117 38.550 6.594 -13.852 876 2HG1 ILE 117 HG13 ILE 117 37.737 7.802 -14.843 877 1HG2 ILE 117 HG21 ILE 117 34.425 7.608 -13.339 878 2HG2 ILE 117 HG22 ILE 117 35.566 8.702 -12.522 879 3HG2 ILE 117 HG23 ILE 117 35.527 8.622 -14.279 880 1HD1 ILE 117 HD11 ILE 117 37.750 9.405 -12.982 881 2HD1 ILE 117 HD12 ILE 117 38.487 8.186 -11.911 882 3HD1 ILE 117 HD13 ILE 117 39.392 8.820 -13.302 883 H VAL 118 H VAL 118 37.631 6.741 -9.763 884 HA VAL 118 HA VAL 118 35.181 8.032 -8.738 885 HB VAL 118 HB VAL 118 36.634 5.754 -7.326 886 1HG1 VAL 118 HG11 VAL 118 36.058 7.471 -5.678 887 2HG1 VAL 118 HG12 VAL 118 34.408 7.585 -6.324 888 3HG1 VAL 118 HG13 VAL 118 34.954 6.107 -5.501 889 1HG2 VAL 118 HG21 VAL 118 34.400 4.653 -7.290 890 2HG2 VAL 118 HG22 VAL 118 33.738 5.973 -8.276 891 3HG2 VAL 118 HG23 VAL 118 34.984 4.889 -8.935 892 H GLY 119 H GLY 119 35.729 9.898 -7.801 893 1HA GLY 119 HA2 GLY 119 37.618 10.584 -6.007 894 2HA GLY 119 HA3 GLY 119 38.535 10.702 -7.518 895 H PHE 120 H PHE 120 37.794 12.927 -5.760 896 HA PHE 120 HA PHE 120 35.432 14.236 -6.613 897 1HB PHE 120 HB2 PHE 120 37.951 15.372 -5.348 898 2HB PHE 120 HB3 PHE 120 36.421 16.221 -5.508 899 HD1 PHE 120 HD1 PHE 120 38.355 14.155 -3.340 900 HD2 PHE 120 HD2 PHE 120 34.283 15.001 -4.510 901 HE1 PHE 120 HE1 PHE 120 37.533 13.167 -1.218 902 HE2 PHE 120 HE2 PHE 120 33.474 14.005 -2.388 903 HZ PHE 120 HZ PHE 120 35.092 13.089 -0.739 904 H TYR 121 H TYR 121 35.036 15.744 -8.012 905 HA TYR 121 HA TYR 121 35.002 17.059 -9.778 906 1HB TYR 121 HB2 TYR 121 38.034 17.217 -9.709 907 2HB TYR 121 HB3 TYR 121 36.960 18.230 -10.642 908 HD1 TYR 121 HD1 TYR 121 38.347 17.600 -7.294 909 HD2 TYR 121 HD2 TYR 121 35.563 19.972 -9.585 910 HE1 TYR 121 HE1 TYR 121 38.220 19.234 -5.437 911 HE2 TYR 121 HE2 TYR 121 35.447 21.624 -7.749 912 HH TYR 121 HH TYR 121 36.188 22.199 -5.612 913 H TYR 122 H TYR 122 36.065 13.901 -9.888 914 HA TYR 122 HA TYR 122 36.744 13.866 -12.737 915 1HB TYR 122 HB2 TYR 122 35.965 11.604 -10.871 916 2HB TYR 122 HB3 TYR 122 36.550 11.427 -12.510 917 HD1 TYR 122 HD1 TYR 122 38.758 13.871 -11.816 918 HD2 TYR 122 HD2 TYR 122 37.735 9.956 -10.319 919 HE1 TYR 122 HE1 TYR 122 41.057 13.592 -10.990 920 HE2 TYR 122 HE2 TYR 122 40.046 9.661 -9.493 921 HH TYR 122 HH TYR 122 42.164 10.620 -9.291 922 HA PRO 123 HA PRO 123 32.374 13.562 -13.927 923 1HB PRO 123 HB2 PRO 123 32.615 12.748 -16.510 924 2HB PRO 123 HB3 PRO 123 33.062 14.406 -15.996 925 1HG PRO 123 HG2 PRO 123 34.889 12.017 -16.392 926 2HG PRO 123 HG3 PRO 123 35.101 13.687 -17.012 927 1HD PRO 123 HD2 PRO 123 36.304 12.777 -14.716 928 2HD PRO 123 HD3 PRO 123 35.779 14.478 -14.905 929 H MET 124 H MET 124 30.874 11.797 -14.444 930 HA MET 124 HA MET 124 31.737 9.112 -13.643 931 1HB MET 124 HB2 MET 124 29.530 9.987 -13.001 932 2HB MET 124 HB3 MET 124 29.123 10.316 -14.690 933 1HG MET 124 HG2 MET 124 29.239 7.864 -15.160 934 2HG MET 124 HG3 MET 124 29.498 7.563 -13.457 935 1HE MET 124 HE1 MET 124 27.507 9.758 -12.080 936 2HE MET 124 HE2 MET 124 26.063 8.754 -11.911 937 3HE MET 124 HE3 MET 124 27.667 8.062 -11.556 938 H THR 125 H THR 125 31.935 7.397 -15.075 939 HA THR 125 HA THR 125 32.624 8.091 -17.843 940 HB THR 125 HB THR 125 33.284 5.651 -17.909 941 HG1 THR 125 HG1 THR 125 32.639 5.797 -15.127 942 1HG2 THR 125 HG21 THR 125 34.977 7.312 -17.549 943 2HG2 THR 125 HG22 THR 125 34.568 7.431 -15.834 944 3HG2 THR 125 HG23 THR 125 35.291 5.940 -16.473 945 H GLN 126 H GLN 126 31.765 6.975 -19.697 946 HA GLN 126 HA GLN 126 29.026 7.067 -19.900 947 1HB GLN 126 HB2 GLN 126 30.602 7.295 -21.748 948 2HB GLN 126 HB3 GLN 126 31.058 5.598 -21.615 949 1HG GLN 126 HG2 GLN 126 29.587 5.909 -23.491 950 2HG GLN 126 HG3 GLN 126 28.789 4.909 -22.290 951 1HE2 GLN 126 HE22 GLN 126 26.973 5.845 -21.068 952 2HE2 GLN 126 HE21 GLN 126 26.124 7.245 -21.699 953 HA PRO 127 HA PRO 127 28.637 2.295 -19.646 954 1HB PRO 127 HB2 PRO 127 30.467 1.429 -17.484 955 2HB PRO 127 HB3 PRO 127 30.180 0.690 -19.076 956 1HG PRO 127 HG2 PRO 127 32.481 2.083 -18.385 957 2HG PRO 127 HG3 PRO 127 31.859 1.954 -20.068 958 1HD PRO 127 HD2 PRO 127 31.643 4.208 -18.114 959 2HD PRO 127 HD3 PRO 127 31.863 4.266 -19.889 960 H ILE 128 H ILE 128 29.737 4.040 -16.686 961 HA ILE 128 HA ILE 128 27.633 2.876 -15.076 962 HB ILE 128 HB ILE 128 29.531 5.180 -14.542 963 1HG1 ILE 128 HG12 ILE 128 30.459 3.634 -12.853 964 2HG1 ILE 128 HG13 ILE 128 29.305 2.394 -13.287 965 1HG2 ILE 128 HG21 ILE 128 28.756 5.132 -12.198 966 2HG2 ILE 128 HG22 ILE 128 27.407 5.535 -13.249 967 3HG2 ILE 128 HG23 ILE 128 27.542 3.900 -12.593 968 1HD1 ILE 128 HD11 ILE 128 31.318 3.441 -15.285 969 2HD1 ILE 128 HD12 ILE 128 31.725 2.173 -14.122 970 3HD1 ILE 128 HD13 ILE 128 30.425 1.902 -15.291 971 H LYS 129 H LYS 129 27.967 5.936 -16.911 972 HA LYS 129 HA LYS 129 25.443 7.046 -16.162 973 1HB LYS 129 HB2 LYS 129 26.927 7.197 -18.827 974 2HB LYS 129 HB3 LYS 129 25.442 8.082 -18.482 975 1HG LYS 129 HG2 LYS 129 26.529 9.276 -16.637 976 2HG LYS 129 HG3 LYS 129 28.043 8.402 -16.948 977 1HD LYS 129 HD2 LYS 129 28.170 9.364 -19.211 978 2HD LYS 129 HD3 LYS 129 26.624 10.207 -18.954 979 1HE LYS 129 HE2 LYS 129 27.610 11.442 -17.048 980 2HE LYS 129 HE3 LYS 129 29.147 10.600 -17.289 981 1HZ LYS 129 HZ1 LYS 129 29.161 12.793 -18.308 982 2HZ LYS 129 HZ2 LYS 129 29.319 11.659 -19.464 983 3HZ LYS 129 HZ3 LYS 129 27.890 12.428 -19.256 984 H ASP 130 H ASP 130 26.244 4.706 -18.761 985 HA ASP 130 HA ASP 130 23.570 4.417 -19.720 986 1HB ASP 130 HB2 ASP 130 25.509 3.734 -21.037 987 2HB ASP 130 HB3 ASP 130 25.949 2.528 -19.827 988 H ALA 131 H ALA 131 25.413 2.666 -17.219 989 HA ALA 131 HA ALA 131 23.431 0.730 -16.635 990 1HB ALA 131 HB1 ALA 131 24.625 0.488 -14.478 991 2HB ALA 131 HB2 ALA 131 25.755 0.559 -15.851 992 3HB ALA 131 HB3 ALA 131 25.522 1.977 -14.807 993 H VAL 132 H VAL 132 24.009 3.991 -15.151 994 HA VAL 132 HA VAL 132 21.834 3.849 -13.322 995 HB VAL 132 HB VAL 132 23.317 6.167 -14.628 996 1HG1 VAL 132 HG11 VAL 132 21.203 7.149 -14.078 997 2HG1 VAL 132 HG12 VAL 132 21.097 6.234 -12.563 998 3HG1 VAL 132 HG13 VAL 132 22.278 7.542 -12.726 999 1HG2 VAL 132 HG21 VAL 132 23.330 5.126 -11.757 1000 2HG2 VAL 132 HG22 VAL 132 24.570 4.741 -12.967 1001 3HG2 VAL 132 HG23 VAL 132 24.348 6.411 -12.439 1002 H GLU 133 H GLU 133 21.972 4.941 -16.774 1003 HA GLU 133 HA GLU 133 19.220 5.678 -16.833 1004 1HB GLU 133 HB2 GLU 133 20.941 6.458 -18.401 1005 2HB GLU 133 HB3 GLU 133 21.001 4.859 -19.155 1006 1HG GLU 133 HG2 GLU 133 18.801 5.057 -20.021 1007 2HG GLU 133 HG3 GLU 133 18.354 6.312 -18.865 1008 H THR 134 H THR 134 20.825 2.542 -17.146 1009 HA THR 134 HA THR 134 18.531 1.128 -18.185 1010 HB THR 134 HB THR 134 20.939 0.050 -16.668 1011 HG1 THR 134 HG1 THR 134 21.521 1.220 -18.544 1012 1HG2 THR 134 HG21 THR 134 18.978 -1.281 -18.587 1013 2HG2 THR 134 HG22 THR 134 20.450 -2.031 -17.923 1014 3HG2 THR 134 HG23 THR 134 19.116 -1.601 -16.845 1015 H VAL 135 H VAL 135 19.815 1.745 -14.840 1016 HA VAL 135 HA VAL 135 17.719 0.291 -13.521 1017 HB VAL 135 HB VAL 135 19.376 2.672 -12.571 1018 1HG1 VAL 135 HG11 VAL 135 18.801 1.859 -10.274 1019 2HG1 VAL 135 HG12 VAL 135 17.379 2.439 -11.149 1020 3HG1 VAL 135 HG13 VAL 135 17.666 0.693 -10.989 1021 1HG2 VAL 135 HG21 VAL 135 19.746 -0.314 -12.091 1022 2HG2 VAL 135 HG22 VAL 135 20.752 0.686 -13.150 1023 3HG2 VAL 135 HG23 VAL 135 20.738 1.009 -11.425 1024 H TYR 136 H TYR 136 18.053 3.762 -14.427 1025 HA TYR 136 HA TYR 136 15.652 4.762 -13.485 1026 1HB TYR 136 HB2 TYR 136 17.237 6.277 -14.338 1027 2HB TYR 136 HB3 TYR 136 17.420 5.380 -15.825 1028 HD1 TYR 136 HD1 TYR 136 15.024 7.611 -14.010 1029 HD2 TYR 136 HD2 TYR 136 16.233 5.875 -17.777 1030 HE1 TYR 136 HE1 TYR 136 13.500 9.154 -15.218 1031 HE2 TYR 136 HE2 TYR 136 14.676 7.367 -18.979 1032 HH TYR 136 HH TYR 136 13.091 9.053 -18.791 1033 H GLN 137 H GLN 137 16.134 3.248 -16.775 1034 HA GLN 137 HA GLN 137 13.304 3.501 -17.275 1035 1HB GLN 137 HB2 GLN 137 13.677 2.361 -19.344 1036 2HB GLN 137 HB3 GLN 137 14.948 3.548 -19.065 1037 1HG GLN 137 HG2 GLN 137 16.343 1.561 -18.163 1038 2HG GLN 137 HG3 GLN 137 15.134 0.517 -18.906 1039 1HE2 GLN 137 HE22 GLN 137 17.561 3.068 -19.491 1040 2HE2 GLN 137 HE21 GLN 137 17.816 2.714 -21.193 1041 H ARG 138 H ARG 138 15.254 0.899 -15.819 1042 HA ARG 138 HA ARG 138 13.238 -1.124 -16.002 1043 1HB ARG 138 HB2 ARG 138 15.671 -1.519 -15.323 1044 2HB ARG 138 HB3 ARG 138 15.288 -0.781 -13.768 1045 1HG ARG 138 HG2 ARG 138 15.067 -3.052 -13.287 1046 2HG ARG 138 HG3 ARG 138 13.414 -2.601 -13.587 1047 1HD ARG 138 HD2 ARG 138 13.557 -4.542 -14.796 1048 2HD ARG 138 HD3 ARG 138 13.900 -3.374 -16.069 1049 HE ARG 138 HE ARG 138 15.841 -5.042 -14.516 1050 1HH1 ARG 138 HH21 ARG 138 15.153 -3.266 -17.527 1051 2HH1 ARG 138 HH22 ARG 138 16.611 -3.743 -18.309 1052 1HH2 ARG 138 HH11 ARG 138 17.826 -5.575 -15.521 1053 2HH2 ARG 138 HH12 ARG 138 18.144 -5.135 -17.157 1054 H LEU 139 H LEU 139 13.744 1.505 -13.655 1055 HA LEU 139 HA LEU 139 12.059 0.638 -11.624 1056 1HB LEU 139 HB2 LEU 139 12.623 3.443 -12.619 1057 2HB LEU 139 HB3 LEU 139 11.686 3.145 -11.171 1058 HG LEU 139 HG LEU 139 14.563 2.249 -11.507 1059 1HD1 LEU 139 HD11 LEU 139 15.078 4.161 -10.020 1060 2HD1 LEU 139 HD12 LEU 139 14.352 4.703 -11.543 1061 3HD1 LEU 139 HD13 LEU 139 13.372 4.657 -10.070 1062 1HD2 LEU 139 HD21 LEU 139 14.567 1.937 -9.108 1063 2HD2 LEU 139 HD22 LEU 139 12.868 2.428 -8.995 1064 3HD2 LEU 139 HD23 LEU 139 13.316 0.914 -9.816 1065 H GLU 140 H GLU 140 10.950 1.685 -14.784 1066 HA GLU 140 HA GLU 140 8.281 2.430 -13.927 1067 1HB GLU 140 HB2 GLU 140 9.392 3.254 -15.980 1068 2HB GLU 140 HB3 GLU 140 9.350 1.624 -16.665 1069 1HG GLU 140 HG2 GLU 140 6.881 1.682 -16.655 1070 2HG GLU 140 HG3 GLU 140 6.902 3.252 -15.842 1071 H GLY 141 H GLY 141 9.873 -0.628 -14.726 1072 1HA GLY 141 HA2 GLY 141 7.247 -2.076 -14.599 1073 2HA GLY 141 HA3 GLY 141 8.489 -2.410 -15.809 1074 H TRP 142 H TRP 142 10.179 -1.698 -13.061 1075 HA TRP 142 HA TRP 142 11.152 -4.193 -12.385 1076 1HB TRP 142 HB2 TRP 142 12.149 -2.048 -11.774 1077 2HB TRP 142 HB3 TRP 142 10.777 -1.648 -10.766 1078 HD1 TRP 142 HD1 TRP 142 10.627 -3.954 -8.711 1079 HE1 TRP 142 HE1 TRP 142 12.548 -4.705 -7.238 1080 HE3 TRP 142 HE3 TRP 142 14.454 -1.601 -11.165 1081 HZ2 TRP 142 HZ2 TRP 142 15.384 -4.131 -6.976 1082 HZ3 TRP 142 HZ3 TRP 142 16.736 -1.650 -10.229 1083 HH2 TRP 142 HH2 TRP 142 17.215 -2.912 -8.135 1084 H GLU 143 H GLU 143 10.514 -5.808 -11.082 1085 HA GLU 143 HA GLU 143 8.578 -5.408 -8.974 1086 1HB GLU 143 HB2 GLU 143 7.137 -6.116 -10.889 1087 2HB GLU 143 HB3 GLU 143 8.146 -7.543 -11.121 1088 1HG GLU 143 HG2 GLU 143 6.068 -8.085 -9.936 1089 2HG GLU 143 HG3 GLU 143 7.468 -8.424 -8.932 1090 H GLY 144 H GLY 144 8.928 -7.034 -7.340 1091 1HA GLY 144 HA2 GLY 144 10.361 -8.216 -5.978 1092 2HA GLY 144 HA3 GLY 144 10.584 -9.255 -7.388 1093 H ASN 145 H ASN 145 12.643 -9.489 -8.016 1094 HA ASN 145 HA ASN 145 14.763 -7.909 -6.842 1095 1HB ASN 145 HB2 ASN 145 14.547 -10.534 -7.691 1096 2HB ASN 145 HB3 ASN 145 15.420 -9.820 -9.043 1097 1HD2 ASN 145 HD22 ASN 145 17.647 -10.118 -8.784 1098 2HD2 ASN 145 HD21 ASN 145 18.433 -10.200 -7.224 1099 H GLY 146 H GLY 146 12.843 -7.134 -9.459 1100 1HA GLY 146 HA2 GLY 146 13.075 -5.506 -11.049 1101 2HA GLY 146 HA3 GLY 146 14.722 -5.190 -10.477 1102 H GLY 147 H GLY 147 14.038 -8.489 -11.358 1103 1HA GLY 147 HA2 GLY 147 14.662 -9.797 -13.130 1104 2HA GLY 147 HA3 GLY 147 14.792 -8.345 -14.133 1105 H PHE 148 H PHE 148 16.763 -7.327 -11.845 1106 HA PHE 148 HA PHE 148 19.224 -8.086 -13.078 1107 1HB PHE 148 HB2 PHE 148 18.501 -6.662 -10.483 1108 2HB PHE 148 HB3 PHE 148 20.149 -6.843 -11.075 1109 HD1 PHE 148 HD1 PHE 148 17.299 -4.660 -11.102 1110 HD2 PHE 148 HD2 PHE 148 20.563 -6.063 -13.571 1111 HE1 PHE 148 HE1 PHE 148 17.154 -2.616 -12.479 1112 HE2 PHE 148 HE2 PHE 148 20.339 -4.045 -14.992 1113 HZ PHE 148 HZ PHE 148 18.652 -2.301 -14.434 1114 H ALA 149 H ALA 149 20.835 -9.338 -12.227 1115 HA ALA 149 HA ALA 149 20.107 -11.639 -10.523 1116 1HB ALA 149 HB1 ALA 149 21.617 -11.967 -12.489 1117 2HB ALA 149 HB2 ALA 149 22.759 -10.786 -11.803 1118 3HB ALA 149 HB3 ALA 149 22.454 -12.320 -10.966 1119 H GLN 150 H GLN 150 21.260 -12.131 -8.635 1120 HA GLN 150 HA GLN 150 21.931 -9.719 -7.053 1121 1HB GLN 150 HB2 GLN 150 20.210 -11.402 -6.230 1122 2HB GLN 150 HB3 GLN 150 21.539 -12.574 -6.055 1123 1HG GLN 150 HG2 GLN 150 22.672 -11.055 -4.491 1124 2HG GLN 150 HG3 GLN 150 21.480 -9.797 -4.847 1125 1HE2 GLN 150 HE22 GLN 150 20.998 -9.580 -2.605 1126 2HE2 GLN 150 HE21 GLN 150 19.982 -10.747 -1.801 1127 H LEU 151 H LEU 151 23.912 -9.432 -6.189 1128 HA LEU 151 HA LEU 151 26.225 -10.611 -7.388 1129 1HB LEU 151 HB2 LEU 151 26.056 -8.293 -6.447 1130 2HB LEU 151 HB3 LEU 151 25.848 -8.982 -4.839 1131 HG LEU 151 HG LEU 151 28.132 -9.928 -4.923 1132 1HD1 LEU 151 HD11 LEU 151 29.698 -9.219 -6.722 1133 2HD1 LEU 151 HD12 LEU 151 28.440 -10.279 -7.353 1134 3HD1 LEU 151 HD13 LEU 151 28.341 -8.525 -7.630 1135 1HD2 LEU 151 HD21 LEU 151 27.717 -7.696 -4.010 1136 2HD2 LEU 151 HD22 LEU 151 29.289 -7.714 -4.837 1137 3HD2 LEU 151 HD23 LEU 151 27.868 -6.966 -5.608 1138 H ALA 152 H ALA 152 26.878 -12.638 -6.957 1139 HA ALA 152 HA ALA 152 27.129 -13.570 -4.198 1140 1HB ALA 152 HB1 ALA 152 25.938 -15.706 -4.667 1141 2HB ALA 152 HB2 ALA 152 24.850 -14.313 -4.767 1142 3HB ALA 152 HB3 ALA 152 25.448 -15.081 -6.260 1143 H VAL 153 H VAL 153 29.165 -12.738 -5.609 1144 HA VAL 153 HA VAL 153 31.043 -13.104 -6.769 1145 HB VAL 153 HB VAL 153 31.019 -15.789 -5.371 1146 1HG1 VAL 153 HG11 VAL 153 33.043 -15.288 -6.765 1147 2HG1 VAL 153 HG12 VAL 153 33.247 -13.754 -5.902 1148 3HG1 VAL 153 HG13 VAL 153 33.440 -15.303 -5.049 1149 1HG2 VAL 153 HG21 VAL 153 30.254 -14.219 -3.680 1150 2HG2 VAL 153 HG22 VAL 153 31.944 -14.588 -3.373 1151 3HG2 VAL 153 HG23 VAL 153 31.511 -13.045 -4.143 1152 H GLU 154 H GLU 154 28.870 -13.529 -8.384 1153 HA GLU 154 HA GLU 154 28.054 -14.460 -10.210 1154 1HB GLU 154 HB2 GLU 154 31.010 -14.770 -10.857 1155 2HB GLU 154 HB3 GLU 154 29.708 -14.787 -12.047 1156 1HG GLU 154 HG2 GLU 154 30.385 -12.421 -10.240 1157 2HG GLU 154 HG3 GLU 154 30.876 -12.610 -11.914 1158 H GLU 155 H GLU 155 28.151 -16.305 -8.064 1159 HA GLU 155 HA GLU 155 27.762 -18.766 -9.656 1160 1HB GLU 155 HB2 GLU 155 28.672 -20.163 -7.885 1161 2HB GLU 155 HB3 GLU 155 29.886 -19.113 -8.592 1162 1HG GLU 155 HG2 GLU 155 29.870 -17.651 -6.648 1163 2HG GLU 155 HG3 GLU 155 28.506 -18.517 -5.941 1164 H GLU 156 H GLU 156 25.952 -16.737 -9.019 1165 HA GLU 156 HA GLU 156 24.121 -17.209 -6.931 1166 1HB GLU 156 HB2 GLU 156 24.033 -15.291 -8.497 1167 2HB GLU 156 HB3 GLU 156 23.644 -16.386 -9.826 1168 1HG GLU 156 HG2 GLU 156 21.531 -17.035 -8.577 1169 2HG GLU 156 HG3 GLU 156 21.931 -15.813 -7.371 Start of MODEL 8 1 1H MET 1 H1 MET 1 -0.160 1.839 -1.119 2 2H MET 1 H2 MET 1 -0.353 0.512 -0.170 3 3H MET 1 H3 MET 1 0.114 1.938 0.488 4 HA MET 1 HA MET 1 1.984 0.479 0.353 5 1HB MET 1 HB2 MET 1 1.130 -0.835 -1.599 6 2HB MET 1 HB3 MET 1 1.504 0.528 -2.664 7 1HG MET 1 HG2 MET 1 3.904 0.334 -2.052 8 2HG MET 1 HG3 MET 1 3.502 -0.975 -0.938 9 1HE MET 1 HE1 MET 1 5.311 -2.543 -1.865 10 2HE MET 1 HE2 MET 1 5.534 -2.907 -3.589 11 3HE MET 1 HE3 MET 1 5.843 -1.266 -2.983 12 H THR 2 H THR 2 3.959 1.511 0.400 13 HA THR 2 HA THR 2 4.370 3.925 -1.279 14 HB THR 2 HB THR 2 5.122 3.692 1.664 15 HG1 THR 2 HG1 THR 2 2.940 4.080 1.458 16 1HG2 THR 2 HG21 THR 2 5.423 5.994 -0.318 17 2HG2 THR 2 HG22 THR 2 5.724 6.103 1.431 18 3HG2 THR 2 HG23 THR 2 6.744 5.066 0.424 19 H ASP 3 H ASP 3 6.401 3.898 -2.214 20 HA ASP 3 HA ASP 3 8.184 1.581 -1.647 21 1HB ASP 3 HB2 ASP 3 6.466 1.001 -3.338 22 2HB ASP 3 HB3 ASP 3 6.954 2.383 -4.314 23 H VAL 4 H VAL 4 10.004 2.705 -1.054 24 HA VAL 4 HA VAL 4 10.452 5.372 -2.236 25 HB VAL 4 HB VAL 4 11.502 3.955 0.227 26 1HG1 VAL 4 HG11 VAL 4 12.311 6.748 -0.711 27 2HG1 VAL 4 HG12 VAL 4 12.719 5.986 0.842 28 3HG1 VAL 4 HG13 VAL 4 13.391 5.341 -0.647 29 1HG2 VAL 4 HG21 VAL 4 10.384 5.839 1.381 30 2HG2 VAL 4 HG22 VAL 4 9.887 6.515 -0.171 31 3HG2 VAL 4 HG23 VAL 4 9.229 4.955 0.361 32 H LEU 5 H LEU 5 12.327 5.982 -3.202 33 HA LEU 5 HA LEU 5 14.295 3.864 -3.930 34 1HB LEU 5 HB2 LEU 5 12.992 4.473 -5.938 35 2HB LEU 5 HB3 LEU 5 13.299 6.176 -5.647 36 HG LEU 5 HG LEU 5 15.791 5.704 -5.935 37 1HD1 LEU 5 HD11 LEU 5 16.380 3.598 -7.132 38 2HD1 LEU 5 HD12 LEU 5 15.832 3.292 -5.482 39 3HD1 LEU 5 HD13 LEU 5 14.733 2.997 -6.849 40 1HD2 LEU 5 HD21 LEU 5 13.906 5.053 -8.231 41 2HD2 LEU 5 HD22 LEU 5 14.417 6.671 -7.714 42 3HD2 LEU 5 HD23 LEU 5 15.603 5.557 -8.399 43 H LEU 6 H LEU 6 15.840 4.355 -2.409 44 HA LEU 6 HA LEU 6 16.425 7.189 -1.748 45 1HB LEU 6 HB2 LEU 6 16.093 5.675 0.102 46 2HB LEU 6 HB3 LEU 6 17.243 4.509 -0.584 47 HG LEU 6 HG LEU 6 19.099 6.133 -0.208 48 1HD1 LEU 6 HD11 LEU 6 17.922 8.259 -0.329 49 2HD1 LEU 6 HD12 LEU 6 16.890 7.811 1.051 50 3HD1 LEU 6 HD13 LEU 6 18.624 8.096 1.291 51 1HD2 LEU 6 HD21 LEU 6 18.557 4.410 1.440 52 2HD2 LEU 6 HD22 LEU 6 19.089 5.884 2.254 53 3HD2 LEU 6 HD23 LEU 6 17.363 5.468 2.206 54 H CYS 7 H CYS 7 17.774 8.104 -3.257 55 HA CYS 7 HA CYS 7 19.825 6.452 -4.564 56 1HB CYS 7 HB2 CYS 7 20.015 8.098 -6.025 57 2HB CYS 7 HB3 CYS 7 18.469 8.633 -5.403 58 HG CYS 7 HG CYS 7 20.065 10.682 -5.845 59 H VAL 8 H VAL 8 22.096 6.634 -4.130 60 HA VAL 8 HA VAL 8 22.954 8.301 -1.851 61 HB VAL 8 HB VAL 8 23.462 5.315 -2.189 62 1HG1 VAL 8 HG11 VAL 8 24.645 5.507 0.017 63 2HG1 VAL 8 HG12 VAL 8 25.468 6.362 -1.284 64 3HG1 VAL 8 HG13 VAL 8 24.507 7.276 -0.104 65 1HG2 VAL 8 HG21 VAL 8 22.342 5.090 0.036 66 2HG2 VAL 8 HG22 VAL 8 21.821 6.785 -0.124 67 3HG2 VAL 8 HG23 VAL 8 21.272 5.563 -1.281 68 H GLY 9 H GLY 9 25.031 9.154 -2.227 69 1HA GLY 9 HA2 GLY 9 27.240 8.346 -3.403 70 2HA GLY 9 HA3 GLY 9 26.272 8.586 -4.859 71 H ASN 10 H ASN 10 28.545 10.037 -4.675 72 HA ASN 10 HA ASN 10 27.650 12.819 -4.003 73 1HB ASN 10 HB2 ASN 10 29.569 12.080 -2.670 74 2HB ASN 10 HB3 ASN 10 30.433 11.604 -4.120 75 1HD2 ASN 10 HD22 ASN 10 30.395 14.010 -1.861 76 2HD2 ASN 10 HD21 ASN 10 30.936 15.340 -2.849 77 H SER 11 H SER 11 27.161 13.982 -5.724 78 HA SER 11 HA SER 11 27.081 13.067 -8.275 79 1HB SER 11 HB2 SER 11 27.166 16.011 -7.592 80 2HB SER 11 HB3 SER 11 26.121 15.169 -8.750 81 HG SER 11 HG SER 11 25.036 15.761 -6.800 82 H MET 12 H MET 12 29.996 14.337 -6.875 83 HA MET 12 HA MET 12 31.118 14.797 -9.597 84 1HB MET 12 HB2 MET 12 32.353 16.711 -8.801 85 2HB MET 12 HB3 MET 12 30.628 16.982 -8.573 86 1HG MET 12 HG2 MET 12 30.809 16.522 -6.190 87 2HG MET 12 HG3 MET 12 32.496 16.025 -6.363 88 1HE MET 12 HE1 MET 12 32.830 19.267 -4.245 89 2HE MET 12 HE2 MET 12 31.549 18.038 -4.152 90 3HE MET 12 HE3 MET 12 33.243 17.545 -4.386 91 H MET 13 H MET 13 31.179 12.579 -7.310 92 HA MET 13 HA MET 13 34.108 12.536 -6.960 93 1HB MET 13 HB2 MET 13 32.606 12.410 -4.996 94 2HB MET 13 HB3 MET 13 32.049 10.839 -5.559 95 1HG MET 13 HG2 MET 13 34.415 10.017 -5.404 96 2HG MET 13 HG3 MET 13 34.892 11.620 -4.829 97 1HE MET 13 HE1 MET 13 36.053 10.617 -2.815 98 2HE MET 13 HE2 MET 13 35.332 9.456 -1.674 99 3HE MET 13 HE3 MET 13 35.625 8.980 -3.366 100 H GLY 14 H GLY 14 33.027 12.094 -9.604 101 1HA GLY 14 HA2 GLY 14 33.588 10.712 -11.338 102 2HA GLY 14 HA3 GLY 14 34.243 9.531 -10.195 103 H ASP 15 H ASP 15 33.238 7.728 -10.857 104 HA ASP 15 HA ASP 15 30.545 7.481 -11.757 105 1HB ASP 15 HB2 ASP 15 32.516 5.462 -10.645 106 2HB ASP 15 HB3 ASP 15 30.957 5.023 -11.314 107 H ASP 16 H ASP 16 31.788 7.855 -8.572 108 HA ASP 16 HA ASP 16 29.918 6.444 -6.990 109 1HB ASP 16 HB2 ASP 16 32.073 7.519 -6.281 110 2HB ASP 16 HB3 ASP 16 31.281 9.087 -6.458 111 H GLY 17 H GLY 17 29.459 9.283 -8.997 112 1HA GLY 17 HA2 GLY 17 27.222 10.416 -7.575 113 2HA GLY 17 HA3 GLY 17 27.702 10.736 -9.247 114 H ALA 18 H ALA 18 27.005 7.373 -8.274 115 HA ALA 18 HA ALA 18 25.318 7.079 -10.551 116 1HB ALA 18 HB1 ALA 18 25.737 5.285 -8.133 117 2HB ALA 18 HB2 ALA 18 24.918 4.818 -9.637 118 3HB ALA 18 HB3 ALA 18 26.643 5.234 -9.664 119 H GLY 19 H GLY 19 24.542 7.148 -7.025 120 1HA GLY 19 HA2 GLY 19 21.730 6.975 -7.291 121 2HA GLY 19 HA3 GLY 19 22.604 7.697 -5.934 122 HA PRO 20 HA PRO 20 21.738 11.850 -7.127 123 1HB PRO 20 HB2 PRO 20 24.489 12.193 -8.374 124 2HB PRO 20 HB3 PRO 20 23.546 13.368 -7.399 125 1HG PRO 20 HG2 PRO 20 25.469 11.849 -6.230 126 2HG PRO 20 HG3 PRO 20 23.902 12.109 -5.402 127 1HD PRO 20 HD2 PRO 20 24.883 9.675 -6.845 128 2HD PRO 20 HD3 PRO 20 23.820 9.806 -5.421 129 H LEU 21 H LEU 21 23.442 10.235 -9.972 130 HA LEU 21 HA LEU 21 22.024 11.940 -11.819 131 1HB LEU 21 HB2 LEU 21 24.153 10.895 -12.405 132 2HB LEU 21 HB3 LEU 21 23.455 9.290 -12.198 133 HG LEU 21 HG LEU 21 21.892 9.724 -14.105 134 1HD1 LEU 21 HD11 LEU 21 23.396 12.370 -14.320 135 2HD1 LEU 21 HD12 LEU 21 22.340 11.708 -15.584 136 3HD1 LEU 21 HD13 LEU 21 21.657 12.155 -14.022 137 1HD2 LEU 21 HD21 LEU 21 24.813 10.215 -14.770 138 2HD2 LEU 21 HD22 LEU 21 24.045 8.635 -14.508 139 3HD2 LEU 21 HD23 LEU 21 23.567 9.626 -15.893 140 H LEU 22 H LEU 22 21.387 8.719 -10.368 141 HA LEU 22 HA LEU 22 19.114 8.099 -11.976 142 1HB LEU 22 HB2 LEU 22 20.275 6.441 -10.548 143 2HB LEU 22 HB3 LEU 22 19.780 7.309 -9.104 144 HG LEU 22 HG LEU 22 17.434 6.847 -9.531 145 1HD1 LEU 22 HD11 LEU 22 17.268 6.767 -11.954 146 2HD1 LEU 22 HD12 LEU 22 18.456 5.443 -12.054 147 3HD1 LEU 22 HD13 LEU 22 16.849 5.159 -11.365 148 1HD2 LEU 22 HD21 LEU 22 19.188 4.374 -9.763 149 2HD2 LEU 22 HD22 LEU 22 18.755 5.220 -8.257 150 3HD2 LEU 22 HD23 LEU 22 17.507 4.389 -9.201 151 H ALA 23 H ALA 23 19.385 9.734 -8.768 152 HA ALA 23 HA ALA 23 16.606 10.306 -8.502 153 1HB ALA 23 HB1 ALA 23 17.352 12.031 -6.867 154 2HB ALA 23 HB2 ALA 23 18.122 10.462 -6.608 155 3HB ALA 23 HB3 ALA 23 19.034 11.783 -7.387 156 H GLU 24 H GLU 24 19.196 12.161 -10.182 157 HA GLU 24 HA GLU 24 17.633 14.479 -10.700 158 1HB GLU 24 HB2 GLU 24 20.020 14.526 -11.035 159 2HB GLU 24 HB3 GLU 24 19.963 13.159 -12.133 160 1HG GLU 24 HG2 GLU 24 20.357 15.191 -13.371 161 2HG GLU 24 HG3 GLU 24 18.838 14.444 -13.845 162 H LYS 25 H LYS 25 18.106 11.484 -12.585 163 HA LYS 25 HA LYS 25 16.350 12.188 -14.733 164 1HB LYS 25 HB2 LYS 25 17.356 9.556 -13.598 165 2HB LYS 25 HB3 LYS 25 16.290 9.626 -15.016 166 1HG LYS 25 HG2 LYS 25 17.905 10.897 -16.278 167 2HG LYS 25 HG3 LYS 25 18.969 11.063 -14.871 168 1HD LYS 25 HD2 LYS 25 19.292 8.621 -14.787 169 2HD LYS 25 HD3 LYS 25 18.233 8.401 -16.185 170 1HE LYS 25 HE2 LYS 25 20.786 10.077 -16.220 171 2HE LYS 25 HE3 LYS 25 20.739 8.363 -16.653 172 1HZ LYS 25 HZ1 LYS 25 20.577 9.779 -18.604 173 2HZ LYS 25 HZ2 LYS 25 19.235 8.861 -18.442 174 3HZ LYS 25 HZ3 LYS 25 19.197 10.464 -18.064 175 H CYS 26 H CYS 26 15.711 10.376 -11.676 176 HA CYS 26 HA CYS 26 12.955 9.872 -12.218 177 1HB CYS 26 HB2 CYS 26 14.345 10.316 -9.539 178 2HB CYS 26 HB3 CYS 26 12.737 9.603 -9.771 179 HG CYS 26 HG CYS 26 15.661 8.530 -10.894 180 H ALA 27 H ALA 27 14.546 12.636 -10.528 181 HA ALA 27 HA ALA 27 12.177 13.985 -9.838 182 1HB ALA 27 HB1 ALA 27 14.373 14.537 -8.876 183 2HB ALA 27 HB2 ALA 27 14.932 15.143 -10.453 184 3HB ALA 27 HB3 ALA 27 13.623 15.976 -9.593 185 H ALA 28 H ALA 28 14.175 14.162 -12.826 186 HA ALA 28 HA ALA 28 12.647 16.213 -14.075 187 1HB ALA 28 HB1 ALA 28 13.850 15.521 -16.112 188 2HB ALA 28 HB2 ALA 28 14.958 15.629 -14.731 189 3HB ALA 28 HB3 ALA 28 14.399 14.040 -15.304 190 H ALA 29 H ALA 29 12.250 12.702 -13.878 191 HA ALA 29 HA ALA 29 9.661 12.765 -15.276 192 1HB ALA 29 HB1 ALA 29 12.114 11.329 -16.365 193 2HB ALA 29 HB2 ALA 29 10.442 11.029 -16.899 194 3HB ALA 29 HB3 ALA 29 11.187 12.619 -17.161 195 HA PRO 30 HA PRO 30 9.863 9.883 -11.692 196 1HB PRO 30 HB2 PRO 30 6.880 10.164 -12.123 197 2HB PRO 30 HB3 PRO 30 7.792 10.089 -10.581 198 1HG PRO 30 HG2 PRO 30 6.923 12.475 -11.537 199 2HG PRO 30 HG3 PRO 30 8.574 12.331 -10.849 200 1HD PRO 30 HD2 PRO 30 7.748 12.346 -13.762 201 2HD PRO 30 HD3 PRO 30 9.118 13.181 -12.964 202 H LYS 31 H LYS 31 9.108 7.648 -11.433 203 HA LYS 31 HA LYS 31 8.115 6.258 -13.863 204 1HB LYS 31 HB2 LYS 31 10.601 5.567 -12.202 205 2HB LYS 31 HB3 LYS 31 9.837 4.422 -13.281 206 1HG LYS 31 HG2 LYS 31 11.104 7.063 -14.136 207 2HG LYS 31 HG3 LYS 31 11.769 5.445 -14.347 208 1HD LYS 31 HD2 LYS 31 9.629 4.897 -15.686 209 2HD LYS 31 HD3 LYS 31 9.332 6.644 -15.710 210 1HE LYS 31 HE2 LYS 31 11.556 6.989 -16.763 211 2HE LYS 31 HE3 LYS 31 11.817 5.236 -16.761 212 1HZ LYS 31 HZ1 LYS 31 9.729 6.706 -18.262 213 2HZ LYS 31 HZ2 LYS 31 10.980 5.873 -18.895 214 3HZ LYS 31 HZ3 LYS 31 9.751 5.075 -18.143 215 H GLY 32 H GLY 32 7.631 3.893 -13.196 216 1HA GLY 32 HA2 GLY 32 6.015 2.644 -12.115 217 2HA GLY 32 HA3 GLY 32 7.164 2.810 -10.789 218 H ASN 33 H ASN 33 6.230 3.431 -8.949 219 HA ASN 33 HA ASN 33 4.524 5.812 -8.885 220 1HB ASN 33 HB2 ASN 33 2.901 3.899 -8.931 221 2HB ASN 33 HB3 ASN 33 3.694 3.224 -7.505 222 1HD2 ASN 33 HD22 ASN 33 1.900 3.439 -6.065 223 2HD2 ASN 33 HD21 ASN 33 1.243 4.987 -5.604 224 H TRP 34 H TRP 34 7.227 5.651 -8.389 225 HA TRP 34 HA TRP 34 7.846 4.732 -5.716 226 1HB TRP 34 HB2 TRP 34 9.440 6.295 -7.790 227 2HB TRP 34 HB3 TRP 34 10.099 5.673 -6.291 228 HD1 TRP 34 HD1 TRP 34 8.939 4.494 -9.708 229 HE1 TRP 34 HE1 TRP 34 9.894 2.184 -10.196 230 HE3 TRP 34 HE3 TRP 34 10.808 3.433 -5.077 231 HZ2 TRP 34 HZ2 TRP 34 11.763 0.415 -8.922 232 HZ3 TRP 34 HZ3 TRP 34 12.237 1.441 -4.754 233 HH2 TRP 34 HH2 TRP 34 12.795 -0.028 -6.674 234 H VAL 35 H VAL 35 8.908 6.049 -4.162 235 HA VAL 35 HA VAL 35 8.413 8.994 -4.252 236 HB VAL 35 HB VAL 35 8.427 7.185 -1.799 237 1HG1 VAL 35 HG11 VAL 35 9.393 9.399 -1.294 238 2HG1 VAL 35 HG12 VAL 35 8.017 10.203 -2.081 239 3HG1 VAL 35 HG13 VAL 35 7.777 9.273 -0.590 240 1HG2 VAL 35 HG21 VAL 35 6.160 8.701 -3.163 241 2HG2 VAL 35 HG22 VAL 35 6.317 6.938 -2.998 242 3HG2 VAL 35 HG23 VAL 35 6.052 7.935 -1.565 243 H VAL 36 H VAL 36 10.350 9.234 -5.417 244 HA VAL 36 HA VAL 36 12.808 8.013 -4.571 245 HB VAL 36 HB VAL 36 12.527 8.545 -6.860 246 1HG1 VAL 36 HG11 VAL 36 12.148 11.468 -6.123 247 2HG1 VAL 36 HG12 VAL 36 12.396 10.855 -7.768 248 3HG1 VAL 36 HG13 VAL 36 10.956 10.379 -6.876 249 1HG2 VAL 36 HG21 VAL 36 14.557 9.709 -7.384 250 2HG2 VAL 36 HG22 VAL 36 14.596 10.495 -5.796 251 3HG2 VAL 36 HG23 VAL 36 14.819 8.734 -5.936 252 H ILE 37 H ILE 37 14.511 8.856 -3.397 253 HA ILE 37 HA ILE 37 14.158 11.441 -1.978 254 HB ILE 37 HB ILE 37 14.791 8.704 -0.798 255 1HG1 ILE 37 HG12 ILE 37 12.795 10.888 -0.010 256 2HG1 ILE 37 HG13 ILE 37 12.410 9.370 -0.833 257 1HG2 ILE 37 HG21 ILE 37 15.493 9.784 1.284 258 2HG2 ILE 37 HG22 ILE 37 16.548 10.285 -0.020 259 3HG2 ILE 37 HG23 ILE 37 15.286 11.395 0.551 260 1HD1 ILE 37 HD11 ILE 37 13.313 9.757 2.029 261 2HD1 ILE 37 HD12 ILE 37 11.816 9.033 1.418 262 3HD1 ILE 37 HD13 ILE 37 13.362 8.179 1.208 263 H ASP 38 H ASP 38 15.912 12.644 -2.248 264 HA ASP 38 HA ASP 38 18.335 11.532 -3.467 265 1HB ASP 38 HB2 ASP 38 17.572 13.600 -4.419 266 2HB ASP 38 HB3 ASP 38 17.390 14.344 -2.829 267 H GLY 39 H GLY 39 18.854 10.142 -1.696 268 1HA GLY 39 HA2 GLY 39 19.450 11.107 0.958 269 2HA GLY 39 HA3 GLY 39 19.977 9.585 0.215 270 H GLY 40 H GLY 40 21.245 10.881 -2.095 271 1HA GLY 40 HA2 GLY 40 23.283 11.709 -2.747 272 2HA GLY 40 HA3 GLY 40 23.059 12.914 -1.472 273 H SER 41 H SER 41 25.118 12.985 -0.602 274 HA SER 41 HA SER 41 26.642 10.545 -0.242 275 1HB SER 41 HB2 SER 41 28.401 12.290 0.378 276 2HB SER 41 HB3 SER 41 27.714 12.347 -1.259 277 HG SER 41 HG SER 41 27.833 14.427 -0.247 278 H ALA 42 H ALA 42 24.283 11.813 1.703 279 HA ALA 42 HA ALA 42 25.444 10.575 4.101 280 1HB ALA 42 HB1 ALA 42 24.429 13.450 4.137 281 2HB ALA 42 HB2 ALA 42 24.884 12.476 5.555 282 3HB ALA 42 HB3 ALA 42 26.116 12.930 4.362 283 HA PRO 43 HA PRO 43 20.908 9.949 3.017 284 1HB PRO 43 HB2 PRO 43 20.806 7.251 2.813 285 2HB PRO 43 HB3 PRO 43 21.404 8.291 1.491 286 1HG PRO 43 HG2 PRO 43 23.076 6.878 3.614 287 2HG PRO 43 HG3 PRO 43 23.268 6.777 1.841 288 1HD PRO 43 HD2 PRO 43 24.734 8.528 3.286 289 2HD PRO 43 HD3 PRO 43 24.050 9.023 1.710 290 H GLU 44 H GLU 44 23.043 8.794 5.505 291 HA GLU 44 HA GLU 44 21.414 7.686 7.463 292 1HB GLU 44 HB2 GLU 44 23.809 7.901 7.669 293 2HB GLU 44 HB3 GLU 44 23.729 9.648 7.515 294 1HG GLU 44 HG2 GLU 44 24.229 9.061 9.780 295 2HG GLU 44 HG3 GLU 44 22.685 9.884 9.681 296 H ASN 45 H ASN 45 21.709 11.149 6.496 297 HA ASN 45 HA ASN 45 20.125 12.164 8.625 298 1HB ASN 45 HB2 ASN 45 20.409 14.193 7.667 299 2HB ASN 45 HB3 ASN 45 21.665 13.358 6.759 300 1HD2 ASN 45 HD22 ASN 45 21.090 12.629 4.506 301 2HD2 ASN 45 HD21 ASN 45 19.649 13.251 3.704 302 H ASP 46 H ASP 46 19.251 10.613 5.610 303 HA ASP 46 HA ASP 46 16.547 11.792 5.559 304 1HB ASP 46 HB2 ASP 46 18.281 10.340 3.587 305 2HB ASP 46 HB3 ASP 46 16.544 10.146 3.426 306 H ILE 47 H ILE 47 18.014 9.048 6.928 307 HA ILE 47 HA ILE 47 15.951 7.115 6.857 308 HB ILE 47 HB ILE 47 17.865 7.928 9.082 309 1HG1 ILE 47 HG12 ILE 47 18.017 5.666 7.027 310 2HG1 ILE 47 HG13 ILE 47 18.925 7.173 6.941 311 1HG2 ILE 47 HG21 ILE 47 16.294 5.331 8.879 312 2HG2 ILE 47 HG22 ILE 47 17.460 5.770 10.144 313 3HG2 ILE 47 HG23 ILE 47 15.947 6.645 10.020 314 1HD1 ILE 47 HD11 ILE 47 19.958 6.606 9.175 315 2HD1 ILE 47 HD12 ILE 47 19.256 4.977 8.990 316 3HD1 ILE 47 HD13 ILE 47 20.430 5.577 7.812 317 H VAL 48 H VAL 48 16.265 10.136 8.781 318 HA VAL 48 HA VAL 48 13.998 9.737 10.434 319 HB VAL 48 HB VAL 48 15.193 12.344 9.384 320 1HG1 VAL 48 HG11 VAL 48 13.002 12.717 10.447 321 2HG1 VAL 48 HG12 VAL 48 13.518 11.796 11.878 322 3HG1 VAL 48 HG13 VAL 48 14.297 13.342 11.471 323 1HG2 VAL 48 HG21 VAL 48 15.896 10.717 11.872 324 2HG2 VAL 48 HG22 VAL 48 16.955 11.023 10.478 325 3HG2 VAL 48 HG23 VAL 48 16.483 12.357 11.524 326 H ALA 49 H ALA 49 14.287 11.011 7.088 327 HA ALA 49 HA ALA 49 11.567 11.953 6.984 328 1HB ALA 49 HB1 ALA 49 11.995 12.235 4.579 329 2HB ALA 49 HB2 ALA 49 13.324 12.917 5.535 330 3HB ALA 49 HB3 ALA 49 13.522 11.347 4.718 331 H ILE 50 H ILE 50 13.309 9.106 5.706 332 HA ILE 50 HA ILE 50 11.154 7.677 4.631 333 HB ILE 50 HB ILE 50 13.672 6.684 6.042 334 1HG1 ILE 50 HG12 ILE 50 13.063 6.905 3.064 335 2HG1 ILE 50 HG13 ILE 50 13.902 8.172 3.943 336 1HG2 ILE 50 HG21 ILE 50 13.313 4.559 4.815 337 2HG2 ILE 50 HG22 ILE 50 11.979 4.867 5.919 338 3HG2 ILE 50 HG23 ILE 50 11.782 5.187 4.184 339 1HD1 ILE 50 HD11 ILE 50 15.537 6.867 2.820 340 2HD1 ILE 50 HD12 ILE 50 15.703 6.549 4.554 341 3HD1 ILE 50 HD13 ILE 50 14.925 5.350 3.490 342 H ARG 51 H ARG 51 12.207 7.832 8.077 343 HA ARG 51 HA ARG 51 10.294 5.915 8.993 344 1HB ARG 51 HB2 ARG 51 11.909 8.086 10.372 345 2HB ARG 51 HB3 ARG 51 10.747 7.093 11.256 346 1HG ARG 51 HG2 ARG 51 11.893 5.041 10.652 347 2HG ARG 51 HG3 ARG 51 13.033 5.917 9.617 348 1HD ARG 51 HD2 ARG 51 13.919 7.134 11.553 349 2HD ARG 51 HD3 ARG 51 12.719 6.361 12.611 350 HE ARG 51 HE ARG 51 14.232 4.351 11.262 351 1HH1 ARG 51 HH21 ARG 51 14.619 6.755 13.853 352 2HH1 ARG 51 HH22 ARG 51 15.784 5.830 14.723 353 1HH2 ARG 51 HH11 ARG 51 15.742 3.130 12.399 354 2HH2 ARG 51 HH12 ARG 51 16.436 3.702 13.887 355 H GLU 52 H GLU 52 9.773 9.264 8.012 356 HA GLU 52 HA GLU 52 7.259 9.477 9.486 357 1HB GLU 52 HB2 GLU 52 8.089 10.955 6.949 358 2HB GLU 52 HB3 GLU 52 6.748 11.340 8.022 359 1HG GLU 52 HG2 GLU 52 8.462 11.694 9.874 360 2HG GLU 52 HG3 GLU 52 9.709 11.553 8.628 361 H LEU 53 H LEU 53 8.386 8.388 6.286 362 HA LEU 53 HA LEU 53 5.779 8.053 5.148 363 1HB LEU 53 HB2 LEU 53 8.423 6.841 4.254 364 2HB LEU 53 HB3 LEU 53 6.961 6.996 3.293 365 HG LEU 53 HG LEU 53 8.747 9.254 4.280 366 1HD1 LEU 53 HD11 LEU 53 8.179 8.167 1.499 367 2HD1 LEU 53 HD12 LEU 53 9.193 9.581 1.877 368 3HD1 LEU 53 HD13 LEU 53 9.679 7.974 2.430 369 1HD2 LEU 53 HD21 LEU 53 6.474 10.104 4.310 370 2HD2 LEU 53 HD22 LEU 53 7.325 10.765 2.916 371 3HD2 LEU 53 HD23 LEU 53 6.161 9.437 2.684 372 H ARG 54 H ARG 54 7.949 5.962 6.937 373 HA ARG 54 HA ARG 54 8.053 3.744 7.371 374 1HB ARG 54 HB2 ARG 54 5.061 4.071 7.811 375 2HB ARG 54 HB3 ARG 54 6.056 2.723 8.369 376 1HG ARG 54 HG2 ARG 54 7.439 4.375 9.708 377 2HG ARG 54 HG3 ARG 54 6.292 5.636 9.222 378 1HD ARG 54 HD2 ARG 54 5.678 4.883 11.414 379 2HD ARG 54 HD3 ARG 54 4.442 4.332 10.269 380 HE ARG 54 HE ARG 54 6.491 2.325 10.642 381 1HH1 ARG 54 HH21 ARG 54 3.621 3.661 12.289 382 2HH1 ARG 54 HH22 ARG 54 3.326 2.219 13.189 383 1HH2 ARG 54 HH11 ARG 54 6.152 0.541 11.776 384 2HH2 ARG 54 HH12 ARG 54 4.815 0.338 12.896 385 HA PRO 55 HA PRO 55 6.581 3.048 2.993 386 1HB PRO 55 HB2 PRO 55 9.331 1.845 2.708 387 2HB PRO 55 HB3 PRO 55 8.417 2.854 1.545 388 1HG PRO 55 HG2 PRO 55 10.396 3.926 3.026 389 2HG PRO 55 HG3 PRO 55 8.855 4.826 2.806 390 1HD PRO 55 HD2 PRO 55 9.726 3.218 5.206 391 2HD PRO 55 HD3 PRO 55 8.966 4.810 5.123 392 H THR 56 H THR 56 5.968 1.144 1.847 393 HA THR 56 HA THR 56 5.834 -1.333 3.340 394 HB THR 56 HB THR 56 5.353 -0.998 0.371 395 HG1 THR 56 HG1 THR 56 3.632 -0.094 2.437 396 1HG2 THR 56 HG21 THR 56 3.882 -2.573 2.527 397 2HG2 THR 56 HG22 THR 56 3.469 -2.543 0.799 398 3HG2 THR 56 HG23 THR 56 5.012 -3.238 1.326 399 H ARG 57 H ARG 57 7.815 0.105 0.741 400 HA ARG 57 HA ARG 57 9.787 -2.082 0.978 401 1HB ARG 57 HB2 ARG 57 8.133 -2.809 -0.698 402 2HB ARG 57 HB3 ARG 57 8.338 -1.301 -1.584 403 1HG ARG 57 HG2 ARG 57 10.661 -1.929 -2.155 404 2HG ARG 57 HG3 ARG 57 10.543 -3.366 -1.129 405 1HD ARG 57 HD2 ARG 57 10.250 -4.016 -3.445 406 2HD ARG 57 HD3 ARG 57 8.709 -4.227 -2.591 407 HE ARG 57 HE ARG 57 8.986 -1.615 -3.848 408 1HH1 ARG 57 HH21 ARG 57 8.103 -5.033 -4.610 409 2HH1 ARG 57 HH22 ARG 57 7.190 -4.530 -6.023 410 1HH2 ARG 57 HH11 ARG 57 7.847 -1.144 -5.812 411 2HH2 ARG 57 HH12 ARG 57 7.073 -2.483 -6.683 412 H LEU 58 H LEU 58 11.843 -1.511 0.074 413 HA LEU 58 HA LEU 58 12.283 1.323 -0.724 414 1HB LEU 58 HB2 LEU 58 12.515 1.339 1.682 415 2HB LEU 58 HB3 LEU 58 13.447 -0.158 1.659 416 HG LEU 58 HG LEU 58 15.351 0.977 0.628 417 1HD1 LEU 58 HD11 LEU 58 13.729 3.535 0.940 418 2HD1 LEU 58 HD12 LEU 58 15.429 3.421 0.453 419 3HD1 LEU 58 HD13 LEU 58 14.176 2.798 -0.616 420 1HD2 LEU 58 HD21 LEU 58 16.024 2.305 2.562 421 2HD2 LEU 58 HD22 LEU 58 14.330 2.520 3.054 422 3HD2 LEU 58 HD23 LEU 58 15.083 0.921 3.136 423 H LEU 59 H LEU 59 13.863 1.493 -2.218 424 HA LEU 59 HA LEU 59 15.763 -0.756 -2.634 425 1HB LEU 59 HB2 LEU 59 14.209 -0.716 -4.558 426 2HB LEU 59 HB3 LEU 59 14.475 1.021 -4.745 427 HG LEU 59 HG LEU 59 16.833 0.646 -5.337 428 1HD1 LEU 59 HD11 LEU 59 17.661 -1.633 -5.835 429 2HD1 LEU 59 HD12 LEU 59 17.328 -1.441 -4.121 430 3HD1 LEU 59 HD13 LEU 59 16.179 -2.326 -5.151 431 1HD2 LEU 59 HD21 LEU 59 15.131 0.700 -7.122 432 2HD2 LEU 59 HD22 LEU 59 16.493 -0.344 -7.538 433 3HD2 LEU 59 HD23 LEU 59 14.957 -1.061 -7.012 434 H ILE 60 H ILE 60 17.853 -0.034 -2.624 435 HA ILE 60 HA ILE 60 18.326 2.895 -2.531 436 HB ILE 60 HB ILE 60 19.930 0.730 -1.166 437 1HG1 ILE 60 HG12 ILE 60 17.922 2.445 0.349 438 2HG1 ILE 60 HG13 ILE 60 17.490 0.852 -0.250 439 1HG2 ILE 60 HG21 ILE 60 19.723 3.749 -0.713 440 2HG2 ILE 60 HG22 ILE 60 20.778 2.663 0.199 441 3HG2 ILE 60 HG23 ILE 60 21.063 2.918 -1.520 442 1HD1 ILE 60 HD11 ILE 60 19.784 1.318 1.657 443 2HD1 ILE 60 HD12 ILE 60 18.169 0.706 2.052 444 3HD1 ILE 60 HD13 ILE 60 19.229 -0.232 0.980 445 H VAL 61 H VAL 61 20.171 3.640 -3.768 446 HA VAL 61 HA VAL 61 21.513 1.604 -5.466 447 HB VAL 61 HB VAL 61 20.117 4.075 -6.566 448 1HG1 VAL 61 HG11 VAL 61 22.062 3.538 -7.900 449 2HG1 VAL 61 HG12 VAL 61 21.660 1.807 -7.894 450 3HG1 VAL 61 HG13 VAL 61 20.655 2.965 -8.785 451 1HG2 VAL 61 HG21 VAL 61 18.374 2.497 -5.998 452 2HG2 VAL 61 HG22 VAL 61 18.602 2.467 -7.746 453 3HG2 VAL 61 HG23 VAL 61 19.271 1.161 -6.749 454 H ASP 62 H ASP 62 23.580 2.043 -5.901 455 HA ASP 62 HA ASP 62 24.766 4.645 -6.075 456 1HB ASP 62 HB2 ASP 62 24.696 4.370 -3.608 457 2HB ASP 62 HB3 ASP 62 25.600 2.863 -3.753 458 H ALA 63 H ALA 63 27.270 4.162 -6.391 459 HA ALA 63 HA ALA 63 27.648 1.849 -8.142 460 1HB ALA 63 HB1 ALA 63 28.757 4.002 -8.664 461 2HB ALA 63 HB2 ALA 63 29.604 3.949 -7.097 462 3HB ALA 63 HB3 ALA 63 29.949 2.731 -8.343 463 H THR 64 H THR 64 29.303 0.211 -7.639 464 HA THR 64 HA THR 64 30.199 -0.098 -4.846 465 HB THR 64 HB THR 64 28.639 -2.324 -6.222 466 HG1 THR 64 HG1 THR 64 27.633 -0.306 -4.550 467 1HG2 THR 64 HG21 THR 64 29.322 -1.809 -3.295 468 2HG2 THR 64 HG22 THR 64 28.445 -3.213 -3.936 469 3HG2 THR 64 HG23 THR 64 30.140 -2.970 -4.364 470 H ASP 65 H ASP 65 32.312 -0.950 -4.981 471 HA ASP 65 HA ASP 65 33.276 -1.809 -7.609 472 1HB ASP 65 HB2 ASP 65 34.735 -0.424 -6.258 473 2HB ASP 65 HB3 ASP 65 34.750 -1.643 -4.971 474 H MET 66 H MET 66 31.947 -3.574 -7.946 475 HA MET 66 HA MET 66 31.804 -5.844 -6.140 476 1HB MET 66 HB2 MET 66 30.816 -5.349 -8.999 477 2HB MET 66 HB3 MET 66 30.436 -6.781 -8.026 478 1HG MET 66 HG2 MET 66 29.468 -5.294 -6.269 479 2HG MET 66 HG3 MET 66 29.716 -3.914 -7.321 480 1HE MET 66 HE1 MET 66 28.136 -3.100 -9.063 481 2HE MET 66 HE2 MET 66 28.797 -4.369 -10.116 482 3HE MET 66 HE3 MET 66 27.039 -4.131 -10.008 483 H GLY 67 H GLY 67 34.190 -4.830 -8.338 484 1HA GLY 67 HA2 GLY 67 36.065 -5.888 -9.143 485 2HA GLY 67 HA3 GLY 67 35.557 -7.405 -8.373 486 H LEU 68 H LEU 68 33.355 -5.620 -10.470 487 HA LEU 68 HA LEU 68 33.407 -7.860 -12.453 488 1HB LEU 68 HB2 LEU 68 31.262 -5.796 -11.797 489 2HB LEU 68 HB3 LEU 68 31.124 -7.039 -13.041 490 HG LEU 68 HG LEU 68 31.416 -7.620 -10.096 491 1HD1 LEU 68 HD11 LEU 68 29.040 -8.291 -10.240 492 2HD1 LEU 68 HD12 LEU 68 29.243 -6.580 -10.642 493 3HD1 LEU 68 HD13 LEU 68 28.993 -7.767 -11.935 494 1HD2 LEU 68 HD21 LEU 68 30.916 -9.440 -12.491 495 2HD2 LEU 68 HD22 LEU 68 32.314 -9.475 -11.384 496 3HD2 LEU 68 HD23 LEU 68 30.712 -9.912 -10.796 497 H ASN 69 H ASN 69 32.230 -6.666 -14.557 498 HA ASN 69 HA ASN 69 34.327 -4.956 -15.733 499 1HB ASN 69 HB2 ASN 69 33.105 -6.750 -17.038 500 2HB ASN 69 HB3 ASN 69 31.622 -5.809 -16.876 501 1HD2 ASN 69 HD22 ASN 69 31.576 -3.567 -17.978 502 2HD2 ASN 69 HD21 ASN 69 32.628 -3.366 -19.346 503 HA PRO 70 HA PRO 70 32.326 -1.055 -14.487 504 1HB PRO 70 HB2 PRO 70 32.988 -0.394 -17.368 505 2HB PRO 70 HB3 PRO 70 33.064 0.668 -15.927 506 1HG PRO 70 HG2 PRO 70 35.321 -0.513 -16.811 507 2HG PRO 70 HG3 PRO 70 34.953 -0.558 -15.055 508 1HD PRO 70 HD2 PRO 70 34.558 -2.740 -17.107 509 2HD PRO 70 HD3 PRO 70 35.165 -2.861 -15.428 510 H GLY 71 H GLY 71 30.237 -0.368 -14.488 511 1HA GLY 71 HA2 GLY 71 28.122 0.085 -15.240 512 2HA GLY 71 HA3 GLY 71 28.561 -0.476 -16.858 513 H GLU 72 H GLU 72 29.384 -3.038 -14.771 514 HA GLU 72 HA GLU 72 27.019 -4.597 -15.331 515 1HB GLU 72 HB2 GLU 72 29.469 -4.898 -13.557 516 2HB GLU 72 HB3 GLU 72 28.113 -5.982 -13.340 517 1HG GLU 72 HG2 GLU 72 29.196 -5.606 -16.140 518 2HG GLU 72 HG3 GLU 72 30.074 -6.615 -14.997 519 H ILE 73 H ILE 73 25.373 -5.122 -13.919 520 HA ILE 73 HA ILE 73 24.925 -3.322 -11.593 521 HB ILE 73 HB ILE 73 22.935 -4.315 -13.688 522 1HG1 ILE 73 HG12 ILE 73 23.764 -1.422 -13.228 523 2HG1 ILE 73 HG13 ILE 73 24.521 -2.437 -14.448 524 1HG2 ILE 73 HG21 ILE 73 21.388 -2.679 -12.448 525 2HG2 ILE 73 HG22 ILE 73 21.817 -4.132 -11.561 526 3HG2 ILE 73 HG23 ILE 73 22.647 -2.606 -11.197 527 1HD1 ILE 73 HD11 ILE 73 22.823 -1.096 -15.495 528 2HD1 ILE 73 HD12 ILE 73 22.368 -2.804 -15.568 529 3HD1 ILE 73 HD13 ILE 73 21.573 -1.712 -14.410 530 H ARG 74 H ARG 74 24.118 -4.407 -9.732 531 HA ARG 74 HA ARG 74 23.124 -7.177 -10.049 532 1HB ARG 74 HB2 ARG 74 25.407 -6.424 -8.187 533 2HB ARG 74 HB3 ARG 74 24.544 -7.949 -8.143 534 1HG ARG 74 HG2 ARG 74 26.177 -7.011 -10.520 535 2HG ARG 74 HG3 ARG 74 26.757 -8.084 -9.243 536 1HD ARG 74 HD2 ARG 74 24.979 -9.714 -9.777 537 2HD ARG 74 HD3 ARG 74 24.413 -8.688 -11.098 538 HE ARG 74 HE ARG 74 26.874 -10.302 -10.926 539 1HH1 ARG 74 HH21 ARG 74 25.186 -7.766 -12.807 540 2HH1 ARG 74 HH22 ARG 74 26.192 -7.981 -14.217 541 1HH2 ARG 74 HH11 ARG 74 28.116 -10.598 -12.748 542 2HH2 ARG 74 HH12 ARG 74 27.949 -9.547 -14.160 543 H ILE 75 H ILE 75 21.886 -7.892 -8.285 544 HA ILE 75 HA ILE 75 20.950 -5.857 -6.327 545 HB ILE 75 HB ILE 75 20.310 -8.832 -6.672 546 1HG1 ILE 75 HG12 ILE 75 19.433 -7.721 -8.569 547 2HG1 ILE 75 HG13 ILE 75 18.091 -8.066 -7.496 548 1HG2 ILE 75 HG21 ILE 75 18.351 -8.362 -5.186 549 2HG2 ILE 75 HG22 ILE 75 19.905 -8.243 -4.368 550 3HG2 ILE 75 HG23 ILE 75 19.046 -6.762 -4.838 551 1HD1 ILE 75 HD11 ILE 75 17.814 -5.846 -8.430 552 2HD1 ILE 75 HD12 ILE 75 18.158 -5.677 -6.694 553 3HD1 ILE 75 HD13 ILE 75 19.433 -5.363 -7.898 554 H ILE 76 H ILE 76 21.586 -5.956 -4.096 555 HA ILE 76 HA ILE 76 23.713 -7.939 -3.434 556 HB ILE 76 HB ILE 76 23.798 -5.085 -2.458 557 1HG1 ILE 76 HG12 ILE 76 25.387 -6.142 -4.844 558 2HG1 ILE 76 HG13 ILE 76 24.006 -5.057 -5.002 559 1HG2 ILE 76 HG21 ILE 76 25.031 -7.016 -1.291 560 2HG2 ILE 76 HG22 ILE 76 25.960 -7.235 -2.772 561 3HG2 ILE 76 HG23 ILE 76 26.099 -5.733 -1.847 562 1HD1 ILE 76 HD11 ILE 76 25.085 -3.266 -3.877 563 2HD1 ILE 76 HD12 ILE 76 26.476 -4.285 -3.419 564 3HD1 ILE 76 HD13 ILE 76 26.193 -3.904 -5.115 565 H ASP 77 H ASP 77 23.196 -9.083 -1.667 566 HA ASP 77 HA ASP 77 20.815 -8.492 -0.086 567 1HB ASP 77 HB2 ASP 77 21.458 -10.794 -0.708 568 2HB ASP 77 HB3 ASP 77 22.976 -10.626 0.178 569 HA PRO 78 HA PRO 78 22.876 -5.941 2.966 570 1HB PRO 78 HB2 PRO 78 21.257 -7.553 4.939 571 2HB PRO 78 HB3 PRO 78 21.559 -5.785 4.913 572 1HG PRO 78 HG2 PRO 78 19.238 -6.762 3.923 573 2HG PRO 78 HG3 PRO 78 20.127 -5.498 3.015 574 1HD PRO 78 HD2 PRO 78 20.030 -8.456 2.489 575 2HD PRO 78 HD3 PRO 78 20.008 -7.087 1.335 576 H ASP 79 H ASP 79 22.943 -9.463 3.531 577 HA ASP 79 HA ASP 79 25.007 -9.373 5.564 578 1HB ASP 79 HB2 ASP 79 23.485 -11.295 5.267 579 2HB ASP 79 HB3 ASP 79 24.176 -11.602 3.668 580 H ASP 80 H ASP 80 25.018 -9.085 2.093 581 HA ASP 80 HA ASP 80 27.924 -9.670 1.876 582 1HB ASP 80 HB2 ASP 80 26.356 -10.861 0.380 583 2HB ASP 80 HB3 ASP 80 25.784 -9.314 -0.248 584 H ILE 81 H ILE 81 25.515 -7.095 1.485 585 HA ILE 81 HA ILE 81 27.079 -4.993 0.448 586 HB ILE 81 HB ILE 81 24.929 -5.020 2.601 587 1HG1 ILE 81 HG12 ILE 81 24.840 -4.244 -0.347 588 2HG1 ILE 81 HG13 ILE 81 24.207 -5.726 0.353 589 1HG2 ILE 81 HG21 ILE 81 26.312 -2.905 2.830 590 2HG2 ILE 81 HG22 ILE 81 25.815 -2.486 1.182 591 3HG2 ILE 81 HG23 ILE 81 24.613 -2.658 2.460 592 1HD1 ILE 81 HD11 ILE 81 22.683 -4.229 1.785 593 2HD1 ILE 81 HD12 ILE 81 23.133 -2.934 0.660 594 3HD1 ILE 81 HD13 ILE 81 22.321 -4.404 0.070 595 H ALA 82 H ALA 82 26.984 -6.389 3.677 596 HA ALA 82 HA ALA 82 28.432 -4.596 5.185 597 1HB ALA 82 HB1 ALA 82 28.486 -7.635 5.301 598 2HB ALA 82 HB2 ALA 82 28.870 -6.537 6.643 599 3HB ALA 82 HB3 ALA 82 27.210 -6.605 6.010 600 H GLU 83 H GLU 83 29.741 -6.621 2.639 601 HA GLU 83 HA GLU 83 32.499 -5.802 3.462 602 1HB GLU 83 HB2 GLU 83 31.628 -8.442 2.228 603 2HB GLU 83 HB3 GLU 83 33.304 -7.897 2.386 604 1HG GLU 83 HG2 GLU 83 33.006 -7.757 4.866 605 2HG GLU 83 HG3 GLU 83 31.376 -8.413 4.693 606 H MET 84 H MET 84 30.221 -6.483 0.798 607 HA MET 84 HA MET 84 32.167 -5.919 -1.211 608 1HB MET 84 HB2 MET 84 29.169 -6.264 -1.247 609 2HB MET 84 HB3 MET 84 29.973 -5.600 -2.670 610 1HG MET 84 HG2 MET 84 30.835 -8.188 -1.334 611 2HG MET 84 HG3 MET 84 29.743 -8.088 -2.711 612 1HE MET 84 HE1 MET 84 32.884 -9.536 -4.460 613 2HE MET 84 HE2 MET 84 32.250 -9.929 -2.847 614 3HE MET 84 HE3 MET 84 31.131 -9.682 -4.207 615 H PHE 85 H PHE 85 30.183 -3.669 0.644 616 HA PHE 85 HA PHE 85 30.722 -1.514 -1.274 617 1HB PHE 85 HB2 PHE 85 29.429 -1.640 1.441 618 2HB PHE 85 HB3 PHE 85 30.066 -0.104 0.846 619 HD1 PHE 85 HD1 PHE 85 29.011 1.131 -0.903 620 HD2 PHE 85 HD2 PHE 85 27.805 -2.936 -0.116 621 HE1 PHE 85 HE1 PHE 85 27.194 1.338 -2.575 622 HE2 PHE 85 HE2 PHE 85 25.959 -2.698 -1.743 623 HZ PHE 85 HZ PHE 85 25.712 -0.605 -3.033 624 H MET 86 H MET 86 32.219 -2.585 1.817 625 HA MET 86 HA MET 86 34.268 -0.526 1.489 626 1HB MET 86 HB2 MET 86 35.241 -1.250 3.494 627 2HB MET 86 HB3 MET 86 33.504 -1.108 3.721 628 1HG MET 86 HG2 MET 86 33.243 -3.560 3.549 629 2HG MET 86 HG3 MET 86 34.980 -3.735 3.269 630 1HE MET 86 HE1 MET 86 34.700 -5.283 6.821 631 2HE MET 86 HE2 MET 86 33.516 -5.438 5.510 632 3HE MET 86 HE3 MET 86 35.256 -5.494 5.146 633 H MET 87 H MET 87 33.805 -3.260 -0.271 634 HA MET 87 HA MET 87 36.402 -4.344 -0.566 635 1HB MET 87 HB2 MET 87 34.218 -5.133 -1.611 636 2HB MET 87 HB3 MET 87 34.349 -3.793 -2.752 637 1HG MET 87 HG2 MET 87 35.128 -5.851 -3.762 638 2HG MET 87 HG3 MET 87 36.446 -4.700 -3.622 639 1HE MET 87 HE1 MET 87 35.955 -8.556 -1.062 640 2HE MET 87 HE2 MET 87 34.939 -7.134 -0.761 641 3HE MET 87 HE3 MET 87 34.817 -8.004 -2.310 642 H THR 88 H THR 88 35.017 -1.260 -1.502 643 HA THR 88 HA THR 88 36.966 -0.202 -3.263 644 HB THR 88 HB THR 88 36.068 1.970 -2.315 645 HG1 THR 88 HG1 THR 88 34.161 0.532 -0.853 646 1HG2 THR 88 HG21 THR 88 34.867 0.928 -4.176 647 2HG2 THR 88 HG22 THR 88 33.930 -0.085 -3.056 648 3HG2 THR 88 HG23 THR 88 33.733 1.682 -3.044 649 H THR 89 H THR 89 37.308 -1.126 0.053 650 HA THR 89 HA THR 89 38.678 -0.728 1.715 651 HB THR 89 HB THR 89 40.697 0.523 -0.172 652 HG1 THR 89 HG1 THR 89 39.805 -1.436 -1.035 653 1HG2 THR 89 HG21 THR 89 41.421 0.433 2.191 654 2HG2 THR 89 HG22 THR 89 40.989 -1.285 2.280 655 3HG2 THR 89 HG23 THR 89 42.323 -0.742 1.237 656 H HIS 90 H HIS 90 36.648 1.302 0.825 657 HA HIS 90 HA HIS 90 37.655 3.653 2.353 658 1HB HIS 90 HB2 HIS 90 36.673 3.583 -0.517 659 2HB HIS 90 HB3 HIS 90 36.636 5.050 0.457 660 HD1 HIS 90 HD1 HIS 90 39.156 2.828 -1.379 661 HD2 HIS 90 HD2 HIS 90 38.977 6.257 1.063 662 HE1 HIS 90 HE1 HIS 90 41.432 3.962 -1.566 663 H ASN 91 H ASN 91 34.810 2.372 0.474 664 HA ASN 91 HA ASN 91 33.044 4.266 1.646 665 1HB ASN 91 HB2 ASN 91 32.811 2.870 -0.559 666 2HB ASN 91 HB3 ASN 91 32.100 1.633 0.478 667 1HD2 ASN 91 HD22 ASN 91 29.983 2.170 1.589 668 2HD2 ASN 91 HD21 ASN 91 29.044 3.496 0.947 669 H MET 92 H MET 92 31.334 3.973 3.192 670 HA MET 92 HA MET 92 31.871 2.235 5.415 671 1HB MET 92 HB2 MET 92 29.452 3.875 4.553 672 2HB MET 92 HB3 MET 92 29.454 2.904 6.024 673 1HG MET 92 HG2 MET 92 31.462 5.105 5.428 674 2HG MET 92 HG3 MET 92 30.003 5.319 6.387 675 1HE MET 92 HE1 MET 92 30.685 3.416 9.683 676 2HE MET 92 HE2 MET 92 29.635 4.550 8.808 677 3HE MET 92 HE3 MET 92 29.728 2.848 8.302 678 HA PRO 93 HA PRO 93 29.589 -1.387 3.901 679 1HB PRO 93 HB2 PRO 93 29.100 -2.708 6.229 680 2HB PRO 93 HB3 PRO 93 30.748 -2.543 5.553 681 1HG PRO 93 HG2 PRO 93 29.463 -0.872 7.732 682 2HG PRO 93 HG3 PRO 93 31.083 -1.639 7.728 683 1HD PRO 93 HD2 PRO 93 30.656 0.991 7.041 684 2HD PRO 93 HD3 PRO 93 31.961 0.008 6.312 685 H LEU 94 H LEU 94 27.960 0.116 3.156 686 HA LEU 94 HA LEU 94 26.170 1.563 4.534 687 1HB LEU 94 HB2 LEU 94 26.359 0.541 1.772 688 2HB LEU 94 HB3 LEU 94 24.723 0.985 2.225 689 HG LEU 94 HG LEU 94 27.074 2.841 2.750 690 1HD1 LEU 94 HD11 LEU 94 26.512 4.026 0.676 691 2HD1 LEU 94 HD12 LEU 94 26.981 2.355 0.327 692 3HD1 LEU 94 HD13 LEU 94 25.271 2.812 0.296 693 1HD2 LEU 94 HD21 LEU 94 25.336 4.588 2.813 694 2HD2 LEU 94 HD22 LEU 94 24.080 3.392 2.433 695 3HD2 LEU 94 HD23 LEU 94 24.934 3.325 3.980 696 H ASN 95 H ASN 95 25.880 -1.783 4.652 697 HA ASN 95 HA ASN 95 23.109 -2.144 5.051 698 1HB ASN 95 HB2 ASN 95 23.606 -4.180 5.901 699 2HB ASN 95 HB3 ASN 95 25.120 -3.890 5.067 700 1HD2 ASN 95 HD22 ASN 95 26.738 -2.421 6.805 701 2HD2 ASN 95 HD21 ASN 95 26.844 -3.261 8.323 702 H TYR 96 H TYR 96 25.401 -0.332 7.034 703 HA TYR 96 HA TYR 96 24.013 -0.400 9.494 704 1HB TYR 96 HB2 TYR 96 25.260 1.485 10.118 705 2HB TYR 96 HB3 TYR 96 26.312 0.581 9.048 706 HD1 TYR 96 HD1 TYR 96 27.039 1.561 6.903 707 HD2 TYR 96 HD2 TYR 96 24.226 3.636 9.428 708 HE1 TYR 96 HE1 TYR 96 27.235 3.583 5.474 709 HE2 TYR 96 HE2 TYR 96 24.446 5.653 8.036 710 HH TYR 96 HH TYR 96 25.467 6.618 6.164 711 H LEU 97 H LEU 97 23.220 1.344 6.486 712 HA LEU 97 HA LEU 97 21.215 3.041 7.781 713 1HB LEU 97 HB2 LEU 97 22.359 3.767 5.766 714 2HB LEU 97 HB3 LEU 97 21.771 2.382 4.852 715 HG LEU 97 HG LEU 97 19.634 3.995 6.193 716 1HD1 LEU 97 HD11 LEU 97 19.691 5.815 4.569 717 2HD1 LEU 97 HD12 LEU 97 21.198 5.787 5.486 718 3HD1 LEU 97 HD13 LEU 97 21.170 5.140 3.832 719 1HD2 LEU 97 HD21 LEU 97 18.484 3.701 4.050 720 2HD2 LEU 97 HD22 LEU 97 19.951 3.014 3.325 721 3HD2 LEU 97 HD23 LEU 97 19.094 2.143 4.613 722 H ILE 98 H ILE 98 21.272 0.003 5.883 723 HA ILE 98 HA ILE 98 18.473 -0.353 5.706 724 HB ILE 98 HB ILE 98 20.768 -2.362 5.730 725 1HG1 ILE 98 HG12 ILE 98 19.246 -1.019 3.451 726 2HG1 ILE 98 HG13 ILE 98 20.891 -0.635 3.950 727 1HG2 ILE 98 HG21 ILE 98 17.870 -2.804 4.908 728 2HG2 ILE 98 HG22 ILE 98 19.196 -3.943 4.601 729 3HG2 ILE 98 HG23 ILE 98 18.728 -3.582 6.247 730 1HD1 ILE 98 HD11 ILE 98 21.110 -1.975 2.037 731 2HD1 ILE 98 HD12 ILE 98 21.533 -3.019 3.409 732 3HD1 ILE 98 HD13 ILE 98 19.943 -3.171 2.607 733 H ASP 99 H ASP 99 20.828 -1.471 8.205 734 HA ASP 99 HA ASP 99 19.013 -2.988 9.706 735 1HB ASP 99 HB2 ASP 99 21.448 -3.047 10.008 736 2HB ASP 99 HB3 ASP 99 21.446 -1.384 10.599 737 H GLN 100 H GLN 100 19.268 0.497 9.512 738 HA GLN 100 HA GLN 100 17.809 0.982 12.023 739 1HB GLN 100 HB2 GLN 100 18.819 2.808 9.806 740 2HB GLN 100 HB3 GLN 100 17.938 3.383 11.216 741 1HG GLN 100 HG2 GLN 100 19.669 2.540 12.725 742 2HG GLN 100 HG3 GLN 100 20.567 1.855 11.377 743 1HE2 GLN 100 HE22 GLN 100 21.892 3.219 10.123 744 2HE2 GLN 100 HE21 GLN 100 22.020 4.977 10.362 745 H LEU 101 H LEU 101 16.839 -0.079 8.981 746 HA LEU 101 HA LEU 101 14.155 1.235 9.204 747 1HB LEU 101 HB2 LEU 101 15.974 0.869 6.790 748 2HB LEU 101 HB3 LEU 101 14.258 1.219 6.643 749 HG LEU 101 HG LEU 101 16.223 3.041 8.096 750 1HD1 LEU 101 HD11 LEU 101 15.110 3.195 5.270 751 2HD1 LEU 101 HD12 LEU 101 16.036 4.479 6.082 752 3HD1 LEU 101 HD13 LEU 101 16.797 2.917 5.742 753 1HD2 LEU 101 HD21 LEU 101 14.337 4.722 7.768 754 2HD2 LEU 101 HD22 LEU 101 13.303 3.371 7.268 755 3HD2 LEU 101 HD23 LEU 101 13.971 3.424 8.909 756 H LYS 102 H LYS 102 15.988 -1.654 8.293 757 HA LYS 102 HA LYS 102 13.921 -3.107 7.086 758 1HB LYS 102 HB2 LYS 102 15.307 -5.004 7.338 759 2HB LYS 102 HB3 LYS 102 16.414 -3.635 7.184 760 1HG LYS 102 HG2 LYS 102 16.725 -3.628 9.663 761 2HG LYS 102 HG3 LYS 102 15.647 -5.031 9.778 762 1HD LYS 102 HD2 LYS 102 17.180 -6.338 8.313 763 2HD LYS 102 HD3 LYS 102 18.261 -4.947 8.225 764 1HE LYS 102 HE2 LYS 102 19.144 -6.482 9.857 765 2HE LYS 102 HE3 LYS 102 18.587 -5.031 10.696 766 1HZ LYS 102 HZ1 LYS 102 17.947 -7.090 11.812 767 2HZ LYS 102 HZ2 LYS 102 16.624 -6.227 11.414 768 3HZ LYS 102 HZ3 LYS 102 17.049 -7.560 10.539 769 H GLU 103 H GLU 103 14.307 -2.329 10.449 770 HA GLU 103 HA GLU 103 12.725 -4.436 11.550 771 1HB GLU 103 HB2 GLU 103 13.421 -1.662 12.606 772 2HB GLU 103 HB3 GLU 103 12.726 -2.964 13.571 773 1HG GLU 103 HG2 GLU 103 15.466 -2.988 12.235 774 2HG GLU 103 HG3 GLU 103 15.141 -2.750 13.945 775 H ASP 104 H ASP 104 11.819 -1.768 9.605 776 HA ASP 104 HA ASP 104 9.000 -1.809 10.626 777 1HB ASP 104 HB2 ASP 104 10.078 0.206 11.433 778 2HB ASP 104 HB3 ASP 104 10.728 0.558 9.827 779 H ILE 105 H ILE 105 11.180 -1.116 7.826 780 HA ILE 105 HA ILE 105 9.000 -0.979 5.945 781 HB ILE 105 HB ILE 105 12.010 -1.274 5.570 782 1HG1 ILE 105 HG12 ILE 105 10.133 1.121 5.590 783 2HG1 ILE 105 HG13 ILE 105 11.463 0.803 6.699 784 1HG2 ILE 105 HG21 ILE 105 10.803 -2.069 3.574 785 2HG2 ILE 105 HG22 ILE 105 9.870 -0.556 3.509 786 3HG2 ILE 105 HG23 ILE 105 11.622 -0.576 3.223 787 1HD1 ILE 105 HD11 ILE 105 12.260 2.470 5.265 788 2HD1 ILE 105 HD12 ILE 105 13.035 0.984 4.684 789 3HD1 ILE 105 HD13 ILE 105 11.642 1.679 3.813 790 H GLY 106 H GLY 106 8.301 -2.554 4.555 791 1HA GLY 106 HA2 GLY 106 8.226 -5.231 5.517 792 2HA GLY 106 HA3 GLY 106 7.617 -4.647 3.960 793 H GLU 107 H GLU 107 10.034 -3.745 2.700 794 HA GLU 107 HA GLU 107 11.992 -5.918 2.919 795 1HB GLU 107 HB2 GLU 107 10.251 -6.666 1.267 796 2HB GLU 107 HB3 GLU 107 10.491 -5.163 0.365 797 1HG GLU 107 HG2 GLU 107 11.666 -6.999 -0.711 798 2HG GLU 107 HG3 GLU 107 12.804 -5.796 -0.120 799 H VAL 108 H VAL 108 14.058 -5.176 2.400 800 HA VAL 108 HA VAL 108 14.332 -2.444 1.272 801 HB VAL 108 HB VAL 108 15.830 -3.525 3.694 802 1HG1 VAL 108 HG11 VAL 108 15.997 -0.914 2.129 803 2HG1 VAL 108 HG12 VAL 108 16.687 -1.111 3.753 804 3HG1 VAL 108 HG13 VAL 108 17.285 -2.093 2.407 805 1HG2 VAL 108 HG21 VAL 108 13.754 -1.321 3.583 806 2HG2 VAL 108 HG22 VAL 108 13.566 -2.909 4.358 807 3HG2 VAL 108 HG23 VAL 108 14.743 -1.752 4.991 808 H ILE 109 H ILE 109 15.653 -2.509 -0.440 809 HA ILE 109 HA ILE 109 17.514 -4.820 -0.824 810 HB ILE 109 HB ILE 109 15.557 -3.477 -2.741 811 1HG1 ILE 109 HG12 ILE 109 15.537 -6.447 -2.152 812 2HG1 ILE 109 HG13 ILE 109 14.826 -5.377 -0.967 813 1HG2 ILE 109 HG21 ILE 109 16.245 -5.229 -4.405 814 2HG2 ILE 109 HG22 ILE 109 17.546 -4.106 -4.038 815 3HG2 ILE 109 HG23 ILE 109 17.543 -5.726 -3.306 816 1HD1 ILE 109 HD11 ILE 109 13.993 -5.447 -3.872 817 2HD1 ILE 109 HD12 ILE 109 13.126 -6.188 -2.515 818 3HD1 ILE 109 HD13 ILE 109 13.287 -4.427 -2.577 819 H PHE 110 H PHE 110 19.352 -4.299 -2.224 820 HA PHE 110 HA PHE 110 19.818 -1.426 -2.720 821 1HB PHE 110 HB2 PHE 110 21.052 -2.502 -0.638 822 2HB PHE 110 HB3 PHE 110 22.103 -3.191 -1.875 823 HD1 PHE 110 HD1 PHE 110 22.948 -1.307 -3.699 824 HD2 PHE 110 HD2 PHE 110 21.803 -0.558 0.386 825 HE1 PHE 110 HE1 PHE 110 23.996 0.921 -3.814 826 HE2 PHE 110 HE2 PHE 110 23.015 1.595 0.321 827 HZ PHE 110 HZ PHE 110 24.054 2.381 -1.800 828 H LEU 111 H LEU 111 20.737 -1.094 -4.729 829 HA LEU 111 HA LEU 111 21.513 -3.457 -6.365 830 1HB LEU 111 HB2 LEU 111 19.403 -2.628 -7.129 831 2HB LEU 111 HB3 LEU 111 19.952 -0.952 -7.099 832 HG LEU 111 HG LEU 111 21.415 -2.927 -8.848 833 1HD1 LEU 111 HD11 LEU 111 19.043 -3.348 -9.345 834 2HD1 LEU 111 HD12 LEU 111 18.755 -1.607 -9.559 835 3HD1 LEU 111 HD13 LEU 111 19.804 -2.495 -10.684 836 1HD2 LEU 111 HD21 LEU 111 21.603 -0.921 -10.339 837 2HD2 LEU 111 HD22 LEU 111 20.689 0.028 -9.163 838 3HD2 LEU 111 HD23 LEU 111 22.300 -0.608 -8.768 839 H GLY 112 H GLY 112 23.552 -3.294 -7.150 840 1HA GLY 112 HA2 GLY 112 25.070 -0.765 -6.631 841 2HA GLY 112 HA3 GLY 112 25.745 -2.384 -6.530 842 H ILE 113 H ILE 113 26.667 -0.227 -8.173 843 HA ILE 113 HA ILE 113 26.433 -1.436 -10.881 844 HB ILE 113 HB ILE 113 26.473 1.517 -10.127 845 1HG1 ILE 113 HG12 ILE 113 24.259 0.046 -11.618 846 2HG1 ILE 113 HG13 ILE 113 24.231 0.287 -9.874 847 1HG2 ILE 113 HG21 ILE 113 26.465 0.205 -12.883 848 2HG2 ILE 113 HG22 ILE 113 26.295 1.953 -12.579 849 3HG2 ILE 113 HG23 ILE 113 27.790 1.139 -12.167 850 1HD1 ILE 113 HD11 ILE 113 24.384 2.711 -10.158 851 2HD1 ILE 113 HD12 ILE 113 24.237 2.509 -11.926 852 3HD1 ILE 113 HD13 ILE 113 22.915 2.011 -10.856 853 H GLN 114 H GLN 114 28.496 -2.006 -11.600 854 HA GLN 114 HA GLN 114 30.789 -1.575 -9.973 855 1HB GLN 114 HB2 GLN 114 30.568 -3.503 -11.418 856 2HB GLN 114 HB3 GLN 114 30.493 -2.472 -12.847 857 1HG GLN 114 HG2 GLN 114 32.687 -3.467 -12.653 858 2HG GLN 114 HG3 GLN 114 32.831 -1.740 -12.473 859 1HE2 GLN 114 HE22 GLN 114 34.352 -1.233 -10.910 860 2HE2 GLN 114 HE21 GLN 114 34.700 -2.228 -9.483 861 HA PRO 115 HA PRO 115 31.847 2.504 -11.817 862 1HB PRO 115 HB2 PRO 115 33.713 3.314 -10.041 863 2HB PRO 115 HB3 PRO 115 31.979 3.273 -9.604 864 1HG PRO 115 HG2 PRO 115 34.089 1.167 -9.016 865 2HG PRO 115 HG3 PRO 115 32.928 1.917 -7.871 866 1HD PRO 115 HD2 PRO 115 32.447 -0.474 -9.108 867 2HD PRO 115 HD3 PRO 115 31.142 0.678 -8.725 868 H ASP 116 H ASP 116 33.947 3.439 -12.582 869 HA ASP 116 HA ASP 116 36.149 1.470 -12.999 870 1HB ASP 116 HB2 ASP 116 34.848 1.781 -15.087 871 2HB ASP 116 HB3 ASP 116 35.097 3.521 -14.984 872 H ILE 117 H ILE 117 35.100 4.883 -12.501 873 HA ILE 117 HA ILE 117 37.793 5.429 -11.395 874 HB ILE 117 HB ILE 117 38.131 7.410 -12.495 875 1HG1 ILE 117 HG12 ILE 117 36.306 8.309 -14.214 876 2HG1 ILE 117 HG13 ILE 117 35.186 7.503 -13.114 877 1HG2 ILE 117 HG21 ILE 117 38.081 7.021 -14.880 878 2HG2 ILE 117 HG22 ILE 117 38.478 5.513 -14.044 879 3HG2 ILE 117 HG23 ILE 117 36.843 5.768 -14.707 880 1HD1 ILE 117 HD11 ILE 117 37.223 9.684 -12.498 881 2HD1 ILE 117 HD12 ILE 117 35.453 9.837 -12.517 882 3HD1 ILE 117 HD13 ILE 117 36.251 8.901 -11.242 883 H VAL 118 H VAL 118 37.736 6.522 -9.465 884 HA VAL 118 HA VAL 118 35.268 7.900 -8.636 885 HB VAL 118 HB VAL 118 36.608 5.671 -7.038 886 1HG1 VAL 118 HG11 VAL 118 34.381 7.582 -6.207 887 2HG1 VAL 118 HG12 VAL 118 34.889 6.144 -5.295 888 3HG1 VAL 118 HG13 VAL 118 36.010 7.488 -5.507 889 1HG2 VAL 118 HG21 VAL 118 33.772 5.906 -8.141 890 2HG2 VAL 118 HG22 VAL 118 35.020 4.752 -8.658 891 3HG2 VAL 118 HG23 VAL 118 34.337 4.632 -7.039 892 H GLY 119 H GLY 119 35.809 9.767 -7.631 893 1HA GLY 119 HA2 GLY 119 37.779 10.436 -5.887 894 2HA GLY 119 HA3 GLY 119 38.597 10.605 -7.454 895 H PHE 120 H PHE 120 37.885 12.796 -5.611 896 HA PHE 120 HA PHE 120 35.445 14.036 -6.365 897 1HB PHE 120 HB2 PHE 120 37.951 15.164 -5.071 898 2HB PHE 120 HB3 PHE 120 36.434 16.034 -5.232 899 HD1 PHE 120 HD1 PHE 120 34.271 14.892 -4.274 900 HD2 PHE 120 HD2 PHE 120 38.293 13.838 -3.104 901 HE1 PHE 120 HE1 PHE 120 33.404 13.884 -2.181 902 HE2 PHE 120 HE2 PHE 120 37.415 12.838 -1.011 903 HZ PHE 120 HZ PHE 120 34.972 12.858 -0.545 904 H TYR 121 H TYR 121 35.125 15.935 -7.412 905 HA TYR 121 HA TYR 121 34.877 17.034 -9.300 906 1HB TYR 121 HB2 TYR 121 36.697 18.573 -9.969 907 2HB TYR 121 HB3 TYR 121 36.237 18.623 -8.288 908 HD1 TYR 121 HD1 TYR 121 38.955 17.683 -10.635 909 HD2 TYR 121 HD2 TYR 121 37.768 18.025 -6.500 910 HE1 TYR 121 HE1 TYR 121 41.317 17.428 -9.941 911 HE2 TYR 121 HE2 TYR 121 40.125 17.770 -5.794 912 HH TYR 121 HH TYR 121 42.330 17.461 -6.488 913 H TYR 122 H TYR 122 35.025 14.363 -9.805 914 HA TYR 122 HA TYR 122 36.154 14.393 -12.568 915 1HB TYR 122 HB2 TYR 122 35.799 11.982 -10.762 916 2HB TYR 122 HB3 TYR 122 36.273 11.954 -12.449 917 HD1 TYR 122 HD1 TYR 122 37.654 10.636 -10.114 918 HD2 TYR 122 HD2 TYR 122 38.361 14.362 -12.171 919 HE1 TYR 122 HE1 TYR 122 40.057 10.434 -9.630 920 HE2 TYR 122 HE2 TYR 122 40.756 14.212 -11.633 921 HH TYR 122 HH TYR 122 42.444 12.953 -10.620 922 HA PRO 123 HA PRO 123 31.863 13.606 -13.557 923 1HB PRO 123 HB2 PRO 123 32.008 12.952 -16.176 924 2HB PRO 123 HB3 PRO 123 32.498 14.576 -15.602 925 1HG PRO 123 HG2 PRO 123 34.278 12.187 -16.179 926 2HG PRO 123 HG3 PRO 123 34.480 13.878 -16.743 927 1HD PRO 123 HD2 PRO 123 35.747 12.842 -14.519 928 2HD PRO 123 HD3 PRO 123 35.292 14.570 -14.661 929 H MET 124 H MET 124 30.412 11.851 -14.268 930 HA MET 124 HA MET 124 31.247 9.146 -13.547 931 1HB MET 124 HB2 MET 124 28.994 10.083 -13.075 932 2HB MET 124 HB3 MET 124 28.702 10.266 -14.812 933 1HG MET 124 HG2 MET 124 28.979 7.783 -15.066 934 2HG MET 124 HG3 MET 124 29.134 7.650 -13.319 935 1HE MET 124 HE1 MET 124 27.279 8.165 -11.613 936 2HE MET 124 HE2 MET 124 26.936 9.800 -12.236 937 3HE MET 124 HE3 MET 124 25.615 8.645 -12.021 938 H THR 125 H THR 125 31.699 7.529 -15.026 939 HA THR 125 HA THR 125 32.526 8.345 -17.706 940 HB THR 125 HB THR 125 33.378 6.025 -17.811 941 HG1 THR 125 HG1 THR 125 32.372 5.807 -15.156 942 1HG2 THR 125 HG21 THR 125 35.068 6.130 -16.093 943 2HG2 THR 125 HG22 THR 125 34.822 7.743 -16.792 944 3HG2 THR 125 HG23 THR 125 34.143 7.354 -15.194 945 H GLN 126 H GLN 126 31.887 7.124 -19.635 946 HA GLN 126 HA GLN 126 29.191 7.125 -20.130 947 1HB GLN 126 HB2 GLN 126 31.184 7.169 -21.707 948 2HB GLN 126 HB3 GLN 126 31.206 5.413 -21.638 949 1HG GLN 126 HG2 GLN 126 28.862 7.146 -22.541 950 2HG GLN 126 HG3 GLN 126 30.022 6.390 -23.622 951 1HE2 GLN 126 HE22 GLN 126 26.937 6.046 -22.726 952 2HE2 GLN 126 HE21 GLN 126 26.769 4.309 -22.760 953 HA PRO 127 HA PRO 127 28.750 2.443 -19.733 954 1HB PRO 127 HB2 PRO 127 30.308 0.957 -17.988 955 2HB PRO 127 HB3 PRO 127 30.612 1.154 -19.739 956 1HG PRO 127 HG2 PRO 127 31.879 2.642 -17.443 957 2HG PRO 127 HG3 PRO 127 32.658 1.988 -18.912 958 1HD PRO 127 HD2 PRO 127 32.011 4.602 -18.632 959 2HD PRO 127 HD3 PRO 127 31.911 3.788 -20.217 960 H ILE 128 H ILE 128 29.721 4.284 -16.811 961 HA ILE 128 HA ILE 128 27.695 2.908 -15.200 962 HB ILE 128 HB ILE 128 29.595 5.194 -14.632 963 1HG1 ILE 128 HG12 ILE 128 30.480 3.634 -12.943 964 2HG1 ILE 128 HG13 ILE 128 29.304 2.411 -13.383 965 1HG2 ILE 128 HG21 ILE 128 27.457 5.562 -13.346 966 2HG2 ILE 128 HG22 ILE 128 27.617 3.949 -12.657 967 3HG2 ILE 128 HG23 ILE 128 28.828 5.203 -12.310 968 1HD1 ILE 128 HD11 ILE 128 31.689 2.072 -14.193 969 2HD1 ILE 128 HD12 ILE 128 30.434 1.942 -15.435 970 3HD1 ILE 128 HD13 ILE 128 31.419 3.415 -15.295 971 H LYS 129 H LYS 129 27.995 5.974 -17.008 972 HA LYS 129 HA LYS 129 25.434 7.043 -16.302 973 1HB LYS 129 HB2 LYS 129 27.026 7.228 -18.897 974 2HB LYS 129 HB3 LYS 129 25.472 8.027 -18.664 975 1HG LYS 129 HG2 LYS 129 26.345 9.326 -16.793 976 2HG LYS 129 HG3 LYS 129 27.921 8.522 -16.934 977 1HD LYS 129 HD2 LYS 129 28.242 9.429 -19.183 978 2HD LYS 129 HD3 LYS 129 26.620 10.163 -19.150 979 1HE LYS 129 HE2 LYS 129 27.274 11.556 -17.221 980 2HE LYS 129 HE3 LYS 129 28.879 10.816 -17.213 981 1HZ LYS 129 HZ1 LYS 129 28.884 12.953 -18.347 982 2HZ LYS 129 HZ2 LYS 129 29.271 11.775 -19.403 983 3HZ LYS 129 HZ3 LYS 129 27.780 12.449 -19.430 984 H ASP 130 H ASP 130 26.349 4.728 -18.890 985 HA ASP 130 HA ASP 130 23.710 4.286 -19.842 986 1HB ASP 130 HB2 ASP 130 25.692 3.611 -21.097 987 2HB ASP 130 HB3 ASP 130 26.139 2.456 -19.840 988 H ALA 131 H ALA 131 25.534 2.674 -17.232 989 HA ALA 131 HA ALA 131 23.547 0.717 -16.661 990 1HB ALA 131 HB1 ALA 131 24.681 0.489 -14.495 991 2HB ALA 131 HB2 ALA 131 25.853 0.567 -15.828 992 3HB ALA 131 HB3 ALA 131 25.583 1.987 -14.791 993 H VAL 132 H VAL 132 24.062 4.022 -15.239 994 HA VAL 132 HA VAL 132 21.836 3.866 -13.469 995 HB VAL 132 HB VAL 132 23.316 6.225 -14.701 996 1HG1 VAL 132 HG11 VAL 132 21.170 7.134 -14.100 997 2HG1 VAL 132 HG12 VAL 132 21.119 6.189 -12.601 998 3HG1 VAL 132 HG13 VAL 132 22.260 7.530 -12.760 999 1HG2 VAL 132 HG21 VAL 132 24.342 6.422 -12.498 1000 2HG2 VAL 132 HG22 VAL 132 23.355 5.088 -11.865 1001 3HG2 VAL 132 HG23 VAL 132 24.605 4.779 -13.086 1002 H GLU 133 H GLU 133 22.060 4.943 -16.910 1003 HA GLU 133 HA GLU 133 19.337 5.731 -17.169 1004 1HB GLU 133 HB2 GLU 133 21.064 6.304 -18.794 1005 2HB GLU 133 HB3 GLU 133 21.346 4.611 -19.163 1006 1HG GLU 133 HG2 GLU 133 20.060 5.684 -20.927 1007 2HG GLU 133 HG3 GLU 133 19.154 4.378 -20.176 1008 H THR 134 H THR 134 20.919 2.517 -17.499 1009 HA THR 134 HA THR 134 18.574 1.117 -18.326 1010 HB THR 134 HB THR 134 21.014 0.086 -16.810 1011 HG1 THR 134 HG1 THR 134 21.622 1.104 -18.711 1012 1HG2 THR 134 HG21 THR 134 18.999 -1.366 -18.578 1013 2HG2 THR 134 HG22 THR 134 20.505 -2.065 -17.936 1014 3HG2 THR 134 HG23 THR 134 19.217 -1.582 -16.826 1015 H VAL 135 H VAL 135 19.967 1.701 -15.025 1016 HA VAL 135 HA VAL 135 17.939 0.262 -13.630 1017 HB VAL 135 HB VAL 135 19.759 2.550 -12.780 1018 1HG1 VAL 135 HG11 VAL 135 18.017 0.737 -11.045 1019 2HG1 VAL 135 HG12 VAL 135 19.295 1.812 -10.441 1020 3HG1 VAL 135 HG13 VAL 135 17.864 2.497 -11.215 1021 1HG2 VAL 135 HG21 VAL 135 19.905 -0.451 -12.220 1022 2HG2 VAL 135 HG22 VAL 135 20.873 0.379 -13.442 1023 3HG2 VAL 135 HG23 VAL 135 21.089 0.795 -11.750 1024 H TYR 136 H TYR 136 18.160 3.731 -14.585 1025 HA TYR 136 HA TYR 136 15.763 4.649 -13.448 1026 1HB TYR 136 HB2 TYR 136 17.236 6.262 -14.302 1027 2HB TYR 136 HB3 TYR 136 17.444 5.426 -15.820 1028 HD1 TYR 136 HD1 TYR 136 14.812 7.273 -13.855 1029 HD2 TYR 136 HD2 TYR 136 16.290 6.068 -17.732 1030 HE1 TYR 136 HE1 TYR 136 13.124 8.720 -14.956 1031 HE2 TYR 136 HE2 TYR 136 14.614 7.500 -18.831 1032 HH TYR 136 HH TYR 136 12.854 8.987 -18.536 1033 H GLN 137 H GLN 137 16.259 3.136 -16.717 1034 HA GLN 137 HA GLN 137 13.474 3.186 -17.375 1035 1HB GLN 137 HB2 GLN 137 15.769 1.426 -18.326 1036 2HB GLN 137 HB3 GLN 137 14.130 1.334 -18.986 1037 1HG GLN 137 HG2 GLN 137 14.221 3.678 -19.701 1038 2HG GLN 137 HG3 GLN 137 15.798 3.883 -18.948 1039 1HE2 GLN 137 HE22 GLN 137 16.822 4.497 -20.901 1040 2HE2 GLN 137 HE21 GLN 137 17.123 3.341 -22.195 1041 H ARG 138 H ARG 138 15.455 0.787 -15.635 1042 HA ARG 138 HA ARG 138 13.493 -1.251 -15.508 1043 1HB ARG 138 HB2 ARG 138 16.139 -0.911 -14.532 1044 2HB ARG 138 HB3 ARG 138 15.173 -1.093 -13.084 1045 1HG ARG 138 HG2 ARG 138 15.732 -3.277 -13.594 1046 2HG ARG 138 HG3 ARG 138 14.116 -3.174 -14.276 1047 1HD ARG 138 HD2 ARG 138 15.004 -2.959 -16.526 1048 2HD ARG 138 HD3 ARG 138 16.639 -2.639 -15.908 1049 HE ARG 138 HE ARG 138 15.561 -5.201 -15.056 1050 1HH1 ARG 138 HH11 ARG 138 17.361 -3.647 -17.700 1051 2HH1 ARG 138 HH12 ARG 138 18.254 -5.070 -18.088 1052 1HH2 ARG 138 HH21 ARG 138 16.666 -6.995 -15.533 1053 2HH2 ARG 138 HH22 ARG 138 17.829 -7.083 -16.830 1054 H LEU 139 H LEU 139 13.740 1.711 -13.615 1055 HA LEU 139 HA LEU 139 12.233 0.985 -11.359 1056 1HB LEU 139 HB2 LEU 139 12.178 3.608 -12.889 1057 2HB LEU 139 HB3 LEU 139 11.559 3.390 -11.266 1058 HG LEU 139 HG LEU 139 14.464 3.189 -12.106 1059 1HD1 LEU 139 HD11 LEU 139 13.577 5.449 -12.120 1060 2HD1 LEU 139 HD12 LEU 139 12.923 5.238 -10.482 1061 3HD1 LEU 139 HD13 LEU 139 14.675 5.234 -10.749 1062 1HD2 LEU 139 HD21 LEU 139 14.995 3.040 -9.701 1063 2HD2 LEU 139 HD22 LEU 139 13.264 2.923 -9.321 1064 3HD2 LEU 139 HD23 LEU 139 14.081 1.630 -10.234 1065 H GLU 140 H GLU 140 11.105 1.356 -14.659 1066 HA GLU 140 HA GLU 140 8.322 1.779 -13.932 1067 1HB GLU 140 HB2 GLU 140 9.668 2.640 -15.932 1068 2HB GLU 140 HB3 GLU 140 9.498 1.026 -16.634 1069 1HG GLU 140 HG2 GLU 140 6.999 1.345 -16.561 1070 2HG GLU 140 HG3 GLU 140 7.251 2.951 -15.869 1071 H GLY 141 H GLY 141 10.248 -0.979 -13.735 1072 1HA GLY 141 HA2 GLY 141 7.911 -2.804 -14.015 1073 2HA GLY 141 HA3 GLY 141 9.308 -3.054 -15.062 1074 H TRP 142 H TRP 142 11.029 -2.166 -12.505 1075 HA TRP 142 HA TRP 142 11.570 -4.724 -11.416 1076 1HB TRP 142 HB2 TRP 142 13.192 -2.941 -11.328 1077 2HB TRP 142 HB3 TRP 142 12.077 -1.878 -10.486 1078 HD1 TRP 142 HD1 TRP 142 14.775 -4.381 -9.843 1079 HE1 TRP 142 HE1 TRP 142 15.175 -4.635 -7.314 1080 HE3 TRP 142 HE3 TRP 142 10.663 -1.869 -8.068 1081 HZ2 TRP 142 HZ2 TRP 142 14.100 -3.556 -4.906 1082 HZ3 TRP 142 HZ3 TRP 142 10.414 -1.474 -5.656 1083 HH2 TRP 142 HH2 TRP 142 12.112 -2.317 -4.046 1084 H GLU 143 H GLU 143 10.751 -5.769 -9.681 1085 HA GLU 143 HA GLU 143 8.939 -4.387 -7.807 1086 1HB GLU 143 HB2 GLU 143 8.356 -7.016 -9.241 1087 2HB GLU 143 HB3 GLU 143 7.469 -6.495 -7.817 1088 1HG GLU 143 HG2 GLU 143 7.524 -5.037 -10.480 1089 2HG GLU 143 HG3 GLU 143 6.233 -6.055 -9.865 1090 H GLY 144 H GLY 144 11.822 -5.482 -7.854 1091 1HA GLY 144 HA2 GLY 144 12.319 -5.949 -5.311 1092 2HA GLY 144 HA3 GLY 144 11.748 -7.566 -5.759 1093 H ASN 145 H ASN 145 12.770 -7.690 -8.396 1094 HA ASN 145 HA ASN 145 15.732 -7.730 -7.933 1095 1HB ASN 145 HB2 ASN 145 14.875 -9.933 -7.557 1096 2HB ASN 145 HB3 ASN 145 13.842 -9.857 -8.989 1097 1HD2 ASN 145 HD22 ASN 145 17.284 -10.091 -7.942 1098 2HD2 ASN 145 HD21 ASN 145 17.856 -10.594 -9.527 1099 H GLY 146 H GLY 146 13.149 -7.107 -10.265 1100 1HA GLY 146 HA2 GLY 146 13.188 -6.214 -12.369 1101 2HA GLY 146 HA3 GLY 146 14.728 -5.476 -11.908 1102 H GLY 147 H GLY 147 14.723 -8.973 -11.898 1103 1HA GLY 147 HA2 GLY 147 15.473 -10.535 -13.387 1104 2HA GLY 147 HA3 GLY 147 15.485 -9.329 -14.680 1105 H PHE 148 H PHE 148 17.269 -8.066 -11.974 1106 HA PHE 148 HA PHE 148 19.795 -8.485 -13.364 1107 1HB PHE 148 HB2 PHE 148 19.086 -7.256 -10.686 1108 2HB PHE 148 HB3 PHE 148 20.704 -7.275 -11.375 1109 HD1 PHE 148 HD1 PHE 148 20.837 -6.334 -13.905 1110 HD2 PHE 148 HD2 PHE 148 17.794 -5.355 -11.022 1111 HE1 PHE 148 HE1 PHE 148 20.374 -4.211 -15.117 1112 HE2 PHE 148 HE2 PHE 148 17.426 -3.170 -12.151 1113 HZ PHE 148 HZ PHE 148 18.690 -2.609 -14.224 1114 H ALA 149 H ALA 149 21.620 -9.395 -12.256 1115 HA ALA 149 HA ALA 149 20.997 -11.946 -10.873 1116 1HB ALA 149 HB1 ALA 149 23.622 -10.764 -11.905 1117 2HB ALA 149 HB2 ALA 149 23.455 -12.339 -11.101 1118 3HB ALA 149 HB3 ALA 149 22.670 -12.053 -12.666 1119 H GLN 150 H GLN 150 21.776 -12.401 -8.841 1120 HA GLN 150 HA GLN 150 22.174 -10.095 -7.063 1121 1HB GLN 150 HB2 GLN 150 20.528 -12.097 -6.736 1122 2HB GLN 150 HB3 GLN 150 21.945 -13.019 -6.244 1123 1HG GLN 150 HG2 GLN 150 21.044 -10.381 -5.001 1124 2HG GLN 150 HG3 GLN 150 20.546 -11.961 -4.412 1125 1HE2 GLN 150 HE22 GLN 150 23.158 -9.621 -4.489 1126 2HE2 GLN 150 HE21 GLN 150 24.350 -10.617 -3.664 1127 H LEU 151 H LEU 151 24.209 -9.512 -6.509 1128 HA LEU 151 HA LEU 151 26.578 -10.602 -7.539 1129 1HB LEU 151 HB2 LEU 151 26.310 -8.303 -6.673 1130 2HB LEU 151 HB3 LEU 151 26.051 -8.924 -5.048 1131 HG LEU 151 HG LEU 151 28.389 -9.780 -4.994 1132 1HD1 LEU 151 HD11 LEU 151 28.626 -8.458 -7.733 1133 2HD1 LEU 151 HD12 LEU 151 29.988 -9.047 -6.756 1134 3HD1 LEU 151 HD13 LEU 151 28.803 -10.190 -7.386 1135 1HD2 LEU 151 HD21 LEU 151 29.455 -7.486 -5.000 1136 2HD2 LEU 151 HD22 LEU 151 27.951 -6.857 -5.714 1137 3HD2 LEU 151 HD23 LEU 151 27.926 -7.584 -4.108 1138 H ALA 152 H ALA 152 27.515 -12.532 -7.079 1139 HA ALA 152 HA ALA 152 27.691 -13.494 -4.295 1140 1HB ALA 152 HB1 ALA 152 26.361 -15.090 -6.536 1141 2HB ALA 152 HB2 ALA 152 26.810 -15.727 -4.939 1142 3HB ALA 152 HB3 ALA 152 25.570 -14.463 -5.070 1143 H VAL 153 H VAL 153 29.872 -13.537 -4.214 1144 HA VAL 153 HA VAL 153 32.021 -13.777 -4.793 1145 HB VAL 153 HB VAL 153 32.563 -16.095 -4.499 1146 1HG1 VAL 153 HG11 VAL 153 31.933 -14.679 -2.585 1147 2HG1 VAL 153 HG12 VAL 153 30.258 -15.265 -2.709 1148 3HG1 VAL 153 HG13 VAL 153 31.569 -16.389 -2.317 1149 1HG2 VAL 153 HG21 VAL 153 30.757 -17.202 -5.863 1150 2HG2 VAL 153 HG22 VAL 153 30.908 -17.864 -4.230 1151 3HG2 VAL 153 HG23 VAL 153 29.584 -16.751 -4.612 1152 H GLU 154 H GLU 154 31.193 -12.710 -7.037 1153 HA GLU 154 HA GLU 154 31.750 -14.373 -9.354 1154 1HB GLU 154 HB2 GLU 154 31.100 -11.419 -9.037 1155 2HB GLU 154 HB3 GLU 154 31.394 -12.222 -10.597 1156 1HG GLU 154 HG2 GLU 154 29.547 -13.816 -10.114 1157 2HG GLU 154 HG3 GLU 154 29.209 -12.931 -8.616 1158 H GLU 155 H GLU 155 33.866 -14.865 -8.165 1159 HA GLU 155 HA GLU 155 36.086 -14.853 -8.018 1160 1HB GLU 155 HB2 GLU 155 36.007 -13.337 -10.655 1161 2HB GLU 155 HB3 GLU 155 37.405 -14.177 -9.972 1162 1HG GLU 155 HG2 GLU 155 36.123 -16.318 -10.007 1163 2HG GLU 155 HG3 GLU 155 34.779 -15.489 -10.791 1164 H GLU 156 H GLU 156 34.709 -12.833 -6.589 1165 HA GLU 156 HA GLU 156 37.018 -11.296 -5.744 1166 1HB GLU 156 HB2 GLU 156 35.783 -9.748 -7.332 1167 2HB GLU 156 HB3 GLU 156 34.351 -9.928 -6.322 1168 1HG GLU 156 HG2 GLU 156 35.354 -7.874 -5.697 1169 2HG GLU 156 HG3 GLU 156 35.698 -8.982 -4.383 Start of MODEL 9 1 1H MET 1 H1 MET 1 0.756 -0.110 2.131 2 2H MET 1 H2 MET 1 0.815 0.805 0.774 3 3H MET 1 H3 MET 1 2.187 0.132 1.358 4 HA MET 1 HA MET 1 0.582 2.190 2.709 5 1HB MET 1 HB2 MET 1 3.267 0.998 3.530 6 2HB MET 1 HB3 MET 1 2.547 2.454 4.218 7 1HG MET 1 HG2 MET 1 0.590 1.154 4.983 8 2HG MET 1 HG3 MET 1 1.273 -0.306 4.267 9 1HE MET 1 HE1 MET 1 2.840 1.786 8.098 10 2HE MET 1 HE2 MET 1 2.905 2.602 6.522 11 3HE MET 1 HE3 MET 1 1.333 2.203 7.253 12 H THR 2 H THR 2 4.071 1.962 1.763 13 HA THR 2 HA THR 2 3.755 4.138 -0.175 14 HB THR 2 HB THR 2 5.728 4.444 2.125 15 HG1 THR 2 HG1 THR 2 4.364 5.353 3.325 16 1HG2 THR 2 HG21 THR 2 5.512 6.898 1.364 17 2HG2 THR 2 HG22 THR 2 6.406 5.772 0.336 18 3HG2 THR 2 HG23 THR 2 4.741 6.246 -0.091 19 H ASP 3 H ASP 3 5.981 4.426 -1.336 20 HA ASP 3 HA ASP 3 7.786 2.090 -1.106 21 1HB ASP 3 HB2 ASP 3 6.115 1.376 -2.729 22 2HB ASP 3 HB3 ASP 3 6.201 2.928 -3.567 23 H VAL 4 H VAL 4 9.906 2.859 -1.378 24 HA VAL 4 HA VAL 4 10.246 5.626 -2.388 25 HB VAL 4 HB VAL 4 12.012 5.652 -0.517 26 1HG1 VAL 4 HG11 VAL 4 9.053 5.833 0.150 27 2HG1 VAL 4 HG12 VAL 4 10.361 6.384 1.223 28 3HG1 VAL 4 HG13 VAL 4 10.158 7.141 -0.354 29 1HG2 VAL 4 HG21 VAL 4 11.664 4.360 1.460 30 2HG2 VAL 4 HG22 VAL 4 10.235 3.572 0.756 31 3HG2 VAL 4 HG23 VAL 4 11.833 3.261 0.089 32 H LEU 5 H LEU 5 12.323 6.166 -3.094 33 HA LEU 5 HA LEU 5 14.158 3.916 -3.799 34 1HB LEU 5 HB2 LEU 5 13.062 4.511 -5.858 35 2HB LEU 5 HB3 LEU 5 13.184 6.239 -5.499 36 HG LEU 5 HG LEU 5 15.682 6.087 -5.729 37 1HD1 LEU 5 HD11 LEU 5 16.644 4.090 -6.830 38 2HD1 LEU 5 HD12 LEU 5 16.039 3.699 -5.219 39 3HD1 LEU 5 HD13 LEU 5 15.096 3.237 -6.654 40 1HD2 LEU 5 HD21 LEU 5 15.647 5.868 -8.188 41 2HD2 LEU 5 HD22 LEU 5 14.030 5.130 -8.086 42 3HD2 LEU 5 HD23 LEU 5 14.281 6.815 -7.590 43 H LEU 6 H LEU 6 15.997 4.290 -2.660 44 HA LEU 6 HA LEU 6 16.634 7.071 -1.806 45 1HB LEU 6 HB2 LEU 6 16.303 5.530 0.037 46 2HB LEU 6 HB3 LEU 6 17.429 4.373 -0.692 47 HG LEU 6 HG LEU 6 19.292 6.006 -0.403 48 1HD1 LEU 6 HD11 LEU 6 18.943 7.973 1.086 49 2HD1 LEU 6 HD12 LEU 6 18.104 8.132 -0.458 50 3HD1 LEU 6 HD13 LEU 6 17.191 7.695 1.005 51 1HD2 LEU 6 HD21 LEU 6 18.882 4.291 1.273 52 2HD2 LEU 6 HD22 LEU 6 19.452 5.778 2.030 53 3HD2 LEU 6 HD23 LEU 6 17.729 5.337 2.111 54 H CYS 7 H CYS 7 17.747 7.867 -3.482 55 HA CYS 7 HA CYS 7 19.944 6.416 -4.799 56 1HB CYS 7 HB2 CYS 7 18.903 9.288 -4.767 57 2HB CYS 7 HB3 CYS 7 20.304 8.777 -5.694 58 HG CYS 7 HG CYS 7 17.218 7.549 -5.741 59 H VAL 8 H VAL 8 22.135 6.619 -4.191 60 HA VAL 8 HA VAL 8 22.885 8.604 -2.132 61 HB VAL 8 HB VAL 8 23.755 5.685 -2.070 62 1HG1 VAL 8 HG11 VAL 8 24.037 7.932 -0.033 63 2HG1 VAL 8 HG12 VAL 8 24.574 6.252 0.194 64 3HG1 VAL 8 HG13 VAL 8 25.346 7.245 -1.030 65 1HG2 VAL 8 HG21 VAL 8 21.421 5.602 -1.486 66 2HG2 VAL 8 HG22 VAL 8 22.371 5.407 -0.018 67 3HG2 VAL 8 HG23 VAL 8 21.600 6.973 -0.366 68 H GLY 9 H GLY 9 25.044 9.379 -2.485 69 1HA GLY 9 HA2 GLY 9 27.213 8.490 -3.690 70 2HA GLY 9 HA3 GLY 9 26.201 8.801 -5.107 71 H ASN 10 H ASN 10 28.487 10.249 -4.900 72 HA ASN 10 HA ASN 10 27.486 13.016 -4.318 73 1HB ASN 10 HB2 ASN 10 29.338 12.450 -2.858 74 2HB ASN 10 HB3 ASN 10 30.297 11.864 -4.207 75 1HD2 ASN 10 HD22 ASN 10 30.175 14.406 -2.150 76 2HD2 ASN 10 HD21 ASN 10 30.762 15.668 -3.202 77 H SER 11 H SER 11 27.035 14.081 -6.110 78 HA SER 11 HA SER 11 27.077 13.030 -8.607 79 1HB SER 11 HB2 SER 11 27.057 16.008 -8.058 80 2HB SER 11 HB3 SER 11 26.104 15.096 -9.242 81 HG SER 11 HG SER 11 24.888 15.720 -7.386 82 H MET 12 H MET 12 29.914 14.429 -7.179 83 HA MET 12 HA MET 12 31.128 14.740 -9.881 84 1HB MET 12 HB2 MET 12 32.314 16.710 -9.195 85 2HB MET 12 HB3 MET 12 30.586 16.988 -8.998 86 1HG MET 12 HG2 MET 12 30.754 16.682 -6.586 87 2HG MET 12 HG3 MET 12 32.445 16.185 -6.718 88 1HE MET 12 HE1 MET 12 32.768 19.558 -4.822 89 2HE MET 12 HE2 MET 12 31.494 18.332 -4.647 90 3HE MET 12 HE3 MET 12 33.190 17.833 -4.852 91 H MET 13 H MET 13 31.102 12.669 -7.463 92 HA MET 13 HA MET 13 34.015 12.638 -7.004 93 1HB MET 13 HB2 MET 13 32.446 12.555 -5.102 94 2HB MET 13 HB3 MET 13 31.869 10.992 -5.668 95 1HG MET 13 HG2 MET 13 34.197 10.100 -5.394 96 2HG MET 13 HG3 MET 13 34.708 11.700 -4.842 97 1HE MET 13 HE1 MET 13 35.768 10.687 -2.774 98 2HE MET 13 HE2 MET 13 34.966 9.575 -1.636 99 3HE MET 13 HE3 MET 13 35.290 9.060 -3.312 100 H GLY 14 H GLY 14 32.979 12.149 -9.678 101 1HA GLY 14 HA2 GLY 14 33.510 10.720 -11.389 102 2HA GLY 14 HA3 GLY 14 34.148 9.552 -10.226 103 H ASP 15 H ASP 15 33.104 7.808 -10.980 104 HA ASP 15 HA ASP 15 30.404 7.514 -11.775 105 1HB ASP 15 HB2 ASP 15 32.414 5.538 -10.648 106 2HB ASP 15 HB3 ASP 15 30.866 5.070 -11.318 107 H ASP 16 H ASP 16 31.773 7.854 -8.625 108 HA ASP 16 HA ASP 16 30.026 6.443 -6.955 109 1HB ASP 16 HB2 ASP 16 32.097 7.638 -6.291 110 2HB ASP 16 HB3 ASP 16 31.271 9.173 -6.588 111 H GLY 17 H GLY 17 29.413 9.353 -8.863 112 1HA GLY 17 HA2 GLY 17 27.111 10.286 -7.413 113 2HA GLY 17 HA3 GLY 17 27.605 10.743 -9.047 114 H ALA 18 H ALA 18 26.898 7.332 -8.152 115 HA ALA 18 HA ALA 18 25.353 7.052 -10.551 116 1HB ALA 18 HB1 ALA 18 24.934 4.766 -9.694 117 2HB ALA 18 HB2 ALA 18 26.654 5.201 -9.622 118 3HB ALA 18 HB3 ALA 18 25.663 5.221 -8.143 119 H GLY 19 H GLY 19 24.426 7.034 -7.062 120 1HA GLY 19 HA2 GLY 19 21.619 6.877 -7.464 121 2HA GLY 19 HA3 GLY 19 22.443 7.529 -6.044 122 HA PRO 20 HA PRO 20 21.629 11.722 -7.081 123 1HB PRO 20 HB2 PRO 20 24.402 12.212 -8.187 124 2HB PRO 20 HB3 PRO 20 23.405 13.263 -7.127 125 1HG PRO 20 HG2 PRO 20 25.351 11.669 -6.079 126 2HG PRO 20 HG3 PRO 20 23.794 11.843 -5.226 127 1HD PRO 20 HD2 PRO 20 24.783 9.542 -6.851 128 2HD PRO 20 HD3 PRO 20 23.673 9.577 -5.456 129 H LEU 21 H LEU 21 23.399 10.178 -9.904 130 HA LEU 21 HA LEU 21 22.070 11.924 -11.788 131 1HB LEU 21 HB2 LEU 21 24.209 10.855 -12.303 132 2HB LEU 21 HB3 LEU 21 23.495 9.259 -12.120 133 HG LEU 21 HG LEU 21 21.993 9.715 -14.080 134 1HD1 LEU 21 HD11 LEU 21 21.789 12.145 -14.008 135 2HD1 LEU 21 HD12 LEU 21 23.543 12.340 -14.222 136 3HD1 LEU 21 HD13 LEU 21 22.543 11.698 -15.539 137 1HD2 LEU 21 HD21 LEU 21 24.942 10.170 -14.651 138 2HD2 LEU 21 HD22 LEU 21 24.158 8.597 -14.395 139 3HD2 LEU 21 HD23 LEU 21 23.725 9.577 -15.804 140 H LEU 22 H LEU 22 21.380 8.673 -10.410 141 HA LEU 22 HA LEU 22 19.131 8.095 -12.060 142 1HB LEU 22 HB2 LEU 22 20.253 6.404 -10.621 143 2HB LEU 22 HB3 LEU 22 19.736 7.264 -9.185 144 HG LEU 22 HG LEU 22 17.389 6.836 -9.676 145 1HD1 LEU 22 HD11 LEU 22 18.462 5.357 -12.136 146 2HD1 LEU 22 HD12 LEU 22 16.811 5.186 -11.511 147 3HD1 LEU 22 HD13 LEU 22 17.350 6.746 -12.119 148 1HD2 LEU 22 HD21 LEU 22 18.685 5.204 -8.357 149 2HD2 LEU 22 HD22 LEU 22 17.412 4.404 -9.290 150 3HD2 LEU 22 HD23 LEU 22 19.096 4.322 -9.847 151 H ALA 23 H ALA 23 19.370 9.684 -8.850 152 HA ALA 23 HA ALA 23 16.658 10.299 -8.477 153 1HB ALA 23 HB1 ALA 23 17.471 12.068 -6.941 154 2HB ALA 23 HB2 ALA 23 18.375 10.573 -6.692 155 3HB ALA 23 HB3 ALA 23 19.110 11.907 -7.597 156 H GLU 24 H GLU 24 19.167 12.148 -10.295 157 HA GLU 24 HA GLU 24 17.547 14.441 -10.778 158 1HB GLU 24 HB2 GLU 24 19.949 14.520 -11.091 159 2HB GLU 24 HB3 GLU 24 19.906 13.199 -12.245 160 1HG GLU 24 HG2 GLU 24 20.264 15.292 -13.397 161 2HG GLU 24 HG3 GLU 24 18.753 14.545 -13.895 162 H LYS 25 H LYS 25 18.126 11.493 -12.706 163 HA LYS 25 HA LYS 25 16.389 12.221 -14.864 164 1HB LYS 25 HB2 LYS 25 17.476 9.576 -13.837 165 2HB LYS 25 HB3 LYS 25 16.466 9.702 -15.296 166 1HG LYS 25 HG2 LYS 25 18.089 11.194 -16.353 167 2HG LYS 25 HG3 LYS 25 19.124 11.124 -14.917 168 1HD LYS 25 HD2 LYS 25 19.331 8.653 -15.209 169 2HD LYS 25 HD3 LYS 25 18.379 8.743 -16.696 170 1HE LYS 25 HE2 LYS 25 20.976 10.274 -16.221 171 2HE LYS 25 HE3 LYS 25 20.927 8.674 -16.965 172 1HZ LYS 25 HZ1 LYS 25 20.993 10.549 -18.561 173 2HZ LYS 25 HZ2 LYS 25 19.756 9.535 -18.826 174 3HZ LYS 25 HZ3 LYS 25 19.494 11.000 -18.111 175 H CYS 26 H CYS 26 15.759 10.228 -11.911 176 HA CYS 26 HA CYS 26 13.015 9.690 -12.583 177 1HB CYS 26 HB2 CYS 26 14.367 9.788 -9.849 178 2HB CYS 26 HB3 CYS 26 12.769 9.104 -10.213 179 HG CYS 26 HG CYS 26 15.755 8.220 -11.284 180 H ALA 27 H ALA 27 14.540 12.417 -10.722 181 HA ALA 27 HA ALA 27 12.085 13.600 -9.967 182 1HB ALA 27 HB1 ALA 27 14.230 14.245 -8.964 183 2HB ALA 27 HB2 ALA 27 14.779 14.920 -10.518 184 3HB ALA 27 HB3 ALA 27 13.416 15.660 -9.655 185 H ALA 28 H ALA 28 14.068 13.967 -12.952 186 HA ALA 28 HA ALA 28 12.471 16.015 -14.108 187 1HB ALA 28 HB1 ALA 28 14.263 13.943 -15.449 188 2HB ALA 28 HB2 ALA 28 13.669 15.444 -16.182 189 3HB ALA 28 HB3 ALA 28 14.789 15.517 -14.808 190 H ALA 29 H ALA 29 12.226 12.480 -14.134 191 HA ALA 29 HA ALA 29 9.582 12.550 -15.451 192 1HB ALA 29 HB1 ALA 29 11.111 12.466 -17.332 193 2HB ALA 29 HB2 ALA 29 12.055 11.178 -16.560 194 3HB ALA 29 HB3 ALA 29 10.389 10.860 -17.114 195 HA PRO 30 HA PRO 30 9.856 9.791 -11.773 196 1HB PRO 30 HB2 PRO 30 6.881 9.938 -12.286 197 2HB PRO 30 HB3 PRO 30 7.752 9.903 -10.718 198 1HG PRO 30 HG2 PRO 30 6.876 12.261 -11.714 199 2HG PRO 30 HG3 PRO 30 8.528 12.151 -11.020 200 1HD PRO 30 HD2 PRO 30 7.706 12.121 -13.929 201 2HD PRO 30 HD3 PRO 30 9.077 12.963 -13.142 202 H LYS 31 H LYS 31 9.174 7.612 -11.270 203 HA LYS 31 HA LYS 31 8.351 5.893 -13.546 204 1HB LYS 31 HB2 LYS 31 10.782 5.500 -11.715 205 2HB LYS 31 HB3 LYS 31 10.192 4.299 -12.853 206 1HG LYS 31 HG2 LYS 31 11.173 7.068 -13.692 207 2HG LYS 31 HG3 LYS 31 12.202 5.657 -13.606 208 1HD LYS 31 HD2 LYS 31 11.031 4.502 -15.313 209 2HD LYS 31 HD3 LYS 31 9.655 5.613 -15.292 210 1HE LYS 31 HE2 LYS 31 12.479 6.429 -16.057 211 2HE LYS 31 HE3 LYS 31 11.278 5.870 -17.227 212 1HZ LYS 31 HZ1 LYS 31 10.929 8.256 -15.492 213 2HZ LYS 31 HZ2 LYS 31 11.333 8.285 -17.073 214 3HZ LYS 31 HZ3 LYS 31 9.857 7.721 -16.606 215 H GLY 32 H GLY 32 7.586 3.819 -12.829 216 1HA GLY 32 HA2 GLY 32 6.161 2.540 -11.560 217 2HA GLY 32 HA3 GLY 32 7.487 2.632 -10.403 218 H ASN 33 H ASN 33 6.824 3.199 -8.427 219 HA ASN 33 HA ASN 33 4.980 5.491 -8.077 220 1HB ASN 33 HB2 ASN 33 3.685 3.326 -7.853 221 2HB ASN 33 HB3 ASN 33 4.763 2.876 -6.530 222 1HD2 ASN 33 HD22 ASN 33 3.407 3.003 -4.715 223 2HD2 ASN 33 HD21 ASN 33 2.464 4.408 -4.296 224 H TRP 34 H TRP 34 8.010 4.849 -7.848 225 HA TRP 34 HA TRP 34 8.546 4.654 -5.019 226 1HB TRP 34 HB2 TRP 34 10.641 5.537 -6.994 227 2HB TRP 34 HB3 TRP 34 10.782 4.533 -5.565 228 HD1 TRP 34 HD1 TRP 34 9.618 4.416 -9.203 229 HE1 TRP 34 HE1 TRP 34 9.810 2.043 -10.142 230 HE3 TRP 34 HE3 TRP 34 11.158 1.996 -4.951 231 HZ2 TRP 34 HZ2 TRP 34 10.772 -0.479 -9.252 232 HZ3 TRP 34 HZ3 TRP 34 11.807 -0.389 -5.066 233 HH2 TRP 34 HH2 TRP 34 11.650 -1.644 -7.211 234 H VAL 35 H VAL 35 8.407 6.360 -3.626 235 HA VAL 35 HA VAL 35 8.531 9.142 -4.480 236 HB VAL 35 HB VAL 35 8.628 7.791 -1.751 237 1HG1 VAL 35 HG11 VAL 35 9.717 10.001 -1.604 238 2HG1 VAL 35 HG12 VAL 35 8.329 10.753 -2.424 239 3HG1 VAL 35 HG13 VAL 35 8.141 10.032 -0.810 240 1HG2 VAL 35 HG21 VAL 35 6.311 8.607 -1.525 241 2HG2 VAL 35 HG22 VAL 35 6.366 9.234 -3.187 242 3HG2 VAL 35 HG23 VAL 35 6.470 7.487 -2.879 243 H VAL 36 H VAL 36 10.434 9.921 -5.256 244 HA VAL 36 HA VAL 36 12.931 8.549 -4.850 245 HB VAL 36 HB VAL 36 12.423 11.320 -6.014 246 1HG1 VAL 36 HG11 VAL 36 14.490 10.889 -7.318 247 2HG1 VAL 36 HG12 VAL 36 14.818 10.879 -5.587 248 3HG1 VAL 36 HG13 VAL 36 14.709 9.341 -6.470 249 1HG2 VAL 36 HG21 VAL 36 12.360 10.246 -8.227 250 2HG2 VAL 36 HG22 VAL 36 12.445 8.636 -7.468 251 3HG2 VAL 36 HG23 VAL 36 11.027 9.681 -7.236 252 H ILE 37 H ILE 37 14.562 8.998 -3.445 253 HA ILE 37 HA ILE 37 14.616 11.485 -1.849 254 HB ILE 37 HB ILE 37 14.949 8.615 -0.830 255 1HG1 ILE 37 HG12 ILE 37 12.937 10.745 0.046 256 2HG1 ILE 37 HG13 ILE 37 12.561 9.384 -1.016 257 1HG2 ILE 37 HG21 ILE 37 15.477 9.572 1.370 258 2HG2 ILE 37 HG22 ILE 37 16.638 10.142 0.191 259 3HG2 ILE 37 HG23 ILE 37 15.329 11.218 0.720 260 1HD1 ILE 37 HD11 ILE 37 13.330 9.211 1.903 261 2HD1 ILE 37 HD12 ILE 37 11.780 8.832 1.148 262 3HD1 ILE 37 HD13 ILE 37 13.188 7.809 0.801 263 H ASP 38 H ASP 38 16.809 12.179 -1.657 264 HA ASP 38 HA ASP 38 18.912 10.470 -2.909 265 1HB ASP 38 HB2 ASP 38 18.503 12.105 -4.574 266 2HB ASP 38 HB3 ASP 38 18.424 13.412 -3.383 267 H GLY 39 H GLY 39 20.042 9.854 -1.223 268 1HA GLY 39 HA2 GLY 39 20.181 11.248 1.292 269 2HA GLY 39 HA3 GLY 39 21.054 9.793 0.794 270 H GLY 40 H GLY 40 21.953 11.713 -1.670 271 1HA GLY 40 HA2 GLY 40 23.736 13.013 -2.151 272 2HA GLY 40 HA3 GLY 40 23.323 13.868 -0.647 273 H SER 41 H SER 41 24.493 10.543 -0.877 274 HA SER 41 HA SER 41 26.163 9.428 -0.019 275 1HB SER 41 HB2 SER 41 27.549 11.806 -1.057 276 2HB SER 41 HB3 SER 41 28.453 10.950 0.198 277 HG SER 41 HG SER 41 28.877 10.022 -1.792 278 H ALA 42 H ALA 42 24.485 11.367 1.808 279 HA ALA 42 HA ALA 42 25.793 10.382 4.263 280 1HB ALA 42 HB1 ALA 42 25.285 12.498 5.440 281 2HB ALA 42 HB2 ALA 42 26.451 12.764 4.129 282 3HB ALA 42 HB3 ALA 42 24.748 13.232 3.914 283 HA PRO 43 HA PRO 43 21.272 9.801 3.176 284 1HB PRO 43 HB2 PRO 43 20.999 7.100 3.114 285 2HB PRO 43 HB3 PRO 43 21.729 8.003 1.763 286 1HG PRO 43 HG2 PRO 43 23.180 6.601 4.023 287 2HG PRO 43 HG3 PRO 43 23.470 6.447 2.261 288 1HD PRO 43 HD2 PRO 43 24.945 8.151 3.795 289 2HD PRO 43 HD3 PRO 43 24.451 8.590 2.134 290 H GLU 44 H GLU 44 23.180 8.627 5.889 291 HA GLU 44 HA GLU 44 21.201 7.747 7.657 292 1HB GLU 44 HB2 GLU 44 22.673 8.770 9.452 293 2HB GLU 44 HB3 GLU 44 23.394 7.548 8.420 294 1HG GLU 44 HG2 GLU 44 24.620 9.165 7.150 295 2HG GLU 44 HG3 GLU 44 23.779 10.516 7.925 296 H ASN 45 H ASN 45 21.890 11.067 6.588 297 HA ASN 45 HA ASN 45 20.315 12.408 8.520 298 1HB ASN 45 HB2 ASN 45 20.784 14.280 7.353 299 2HB ASN 45 HB3 ASN 45 21.967 13.250 6.553 300 1HD2 ASN 45 HD22 ASN 45 21.390 12.393 4.364 301 2HD2 ASN 45 HD21 ASN 45 19.975 13.011 3.500 302 H ASP 46 H ASP 46 19.380 10.505 5.767 303 HA ASP 46 HA ASP 46 16.670 11.729 5.610 304 1HB ASP 46 HB2 ASP 46 18.454 10.292 3.655 305 2HB ASP 46 HB3 ASP 46 16.719 10.130 3.464 306 H ILE 47 H ILE 47 18.167 9.062 7.085 307 HA ILE 47 HA ILE 47 16.228 7.025 6.757 308 HB ILE 47 HB ILE 47 17.997 7.779 9.114 309 1HG1 ILE 47 HG12 ILE 47 18.185 5.607 6.970 310 2HG1 ILE 47 HG13 ILE 47 19.123 7.092 6.999 311 1HG2 ILE 47 HG21 ILE 47 16.426 5.189 8.774 312 2HG2 ILE 47 HG22 ILE 47 17.556 5.581 10.089 313 3HG2 ILE 47 HG23 ILE 47 16.051 6.466 9.954 314 1HD1 ILE 47 HD11 ILE 47 20.571 5.403 7.810 315 2HD1 ILE 47 HD12 ILE 47 20.087 6.342 9.234 316 3HD1 ILE 47 HD13 ILE 47 19.346 4.752 8.903 317 H VAL 48 H VAL 48 16.202 9.902 8.925 318 HA VAL 48 HA VAL 48 13.791 9.247 10.272 319 HB VAL 48 HB VAL 48 14.912 12.001 9.582 320 1HG1 VAL 48 HG11 VAL 48 13.024 11.128 11.817 321 2HG1 VAL 48 HG12 VAL 48 13.726 12.751 11.627 322 3HG1 VAL 48 HG13 VAL 48 12.594 12.138 10.419 323 1HG2 VAL 48 HG21 VAL 48 15.958 11.899 11.848 324 2HG2 VAL 48 HG22 VAL 48 15.450 10.202 11.990 325 3HG2 VAL 48 HG23 VAL 48 16.631 10.693 10.756 326 H ALA 49 H ALA 49 14.377 10.813 7.100 327 HA ALA 49 HA ALA 49 11.676 11.691 6.732 328 1HB ALA 49 HB1 ALA 49 13.816 11.142 4.632 329 2HB ALA 49 HB2 ALA 49 12.339 12.088 4.413 330 3HB ALA 49 HB3 ALA 49 13.608 12.682 5.505 331 H ILE 50 H ILE 50 13.546 8.860 5.616 332 HA ILE 50 HA ILE 50 11.478 7.500 4.250 333 HB ILE 50 HB ILE 50 13.855 6.428 5.840 334 1HG1 ILE 50 HG12 ILE 50 13.556 6.737 2.822 335 2HG1 ILE 50 HG13 ILE 50 14.299 7.978 3.820 336 1HG2 ILE 50 HG21 ILE 50 13.578 4.344 4.541 337 2HG2 ILE 50 HG22 ILE 50 12.146 4.659 5.510 338 3HG2 ILE 50 HG23 ILE 50 12.128 5.012 3.769 339 1HD1 ILE 50 HD11 ILE 50 16.002 6.306 4.594 340 2HD1 ILE 50 HD12 ILE 50 15.342 5.160 3.399 341 3HD1 ILE 50 HD13 ILE 50 16.044 6.696 2.868 342 H ARG 51 H ARG 51 12.375 7.426 7.758 343 HA ARG 51 HA ARG 51 10.466 5.422 8.422 344 1HB ARG 51 HB2 ARG 51 11.877 7.520 10.113 345 2HB ARG 51 HB3 ARG 51 10.740 6.355 10.800 346 1HG ARG 51 HG2 ARG 51 12.088 4.465 9.962 347 2HG ARG 51 HG3 ARG 51 13.212 5.585 9.202 348 1HD ARG 51 HD2 ARG 51 14.226 4.858 11.227 349 2HD ARG 51 HD3 ARG 51 13.737 6.547 11.455 350 HE ARG 51 HE ARG 51 11.728 4.631 12.327 351 1HH1 ARG 51 HH11 ARG 51 14.735 6.211 13.360 352 2HH1 ARG 51 HH12 ARG 51 14.408 6.051 15.045 353 1HH2 ARG 51 HH21 ARG 51 11.281 4.434 14.575 354 2HH2 ARG 51 HH22 ARG 51 12.404 5.007 15.746 355 H GLU 52 H GLU 52 10.046 8.992 8.272 356 HA GLU 52 HA GLU 52 7.498 9.077 9.489 357 1HB GLU 52 HB2 GLU 52 8.657 10.708 7.191 358 2HB GLU 52 HB3 GLU 52 7.096 11.060 7.910 359 1HG GLU 52 HG2 GLU 52 9.709 11.059 9.460 360 2HG GLU 52 HG3 GLU 52 8.953 12.475 8.744 361 H LEU 53 H LEU 53 8.416 7.934 6.258 362 HA LEU 53 HA LEU 53 5.688 7.967 5.271 363 1HB LEU 53 HB2 LEU 53 8.237 6.838 4.053 364 2HB LEU 53 HB3 LEU 53 6.704 7.039 3.228 365 HG LEU 53 HG LEU 53 8.484 9.269 4.275 366 1HD1 LEU 53 HD11 LEU 53 9.350 8.195 2.269 367 2HD1 LEU 53 HD12 LEU 53 7.793 8.412 1.438 368 3HD1 LEU 53 HD13 LEU 53 8.780 9.820 1.894 369 1HD2 LEU 53 HD21 LEU 53 6.208 10.039 4.513 370 2HD2 LEU 53 HD22 LEU 53 6.935 10.826 3.119 371 3HD2 LEU 53 HD23 LEU 53 5.798 9.479 2.868 372 H ARG 54 H ARG 54 7.370 5.839 7.251 373 HA ARG 54 HA ARG 54 7.640 3.563 7.394 374 1HB ARG 54 HB2 ARG 54 4.648 3.951 7.731 375 2HB ARG 54 HB3 ARG 54 5.533 2.481 8.164 376 1HG ARG 54 HG2 ARG 54 7.006 3.892 9.683 377 2HG ARG 54 HG3 ARG 54 5.918 5.253 9.356 378 1HD ARG 54 HD2 ARG 54 5.264 4.229 11.439 379 2HD ARG 54 HD3 ARG 54 4.012 3.913 10.224 380 HE ARG 54 HE ARG 54 6.048 1.808 10.449 381 1HH1 ARG 54 HH21 ARG 54 2.916 2.954 11.712 382 2HH1 ARG 54 HH22 ARG 54 2.425 1.406 12.291 383 1HH2 ARG 54 HH11 ARG 54 5.440 -0.215 11.290 384 2HH2 ARG 54 HH12 ARG 54 3.883 -0.448 12.028 385 HA PRO 55 HA PRO 55 6.475 2.794 2.959 386 1HB PRO 55 HB2 PRO 55 9.257 1.693 2.831 387 2HB PRO 55 HB3 PRO 55 8.374 2.719 1.658 388 1HG PRO 55 HG2 PRO 55 10.294 3.747 3.313 389 2HG PRO 55 HG3 PRO 55 8.811 4.675 2.917 390 1HD PRO 55 HD2 PRO 55 9.443 3.091 5.410 391 2HD PRO 55 HD3 PRO 55 8.657 4.671 5.231 392 H THR 56 H THR 56 5.909 0.938 1.924 393 HA THR 56 HA THR 56 6.062 -1.593 3.423 394 HB THR 56 HB THR 56 4.914 -2.043 0.865 395 HG1 THR 56 HG1 THR 56 4.508 0.083 0.489 396 1HG2 THR 56 HG21 THR 56 3.580 -1.507 3.552 397 2HG2 THR 56 HG22 THR 56 2.835 -2.324 2.154 398 3HG2 THR 56 HG23 THR 56 4.205 -3.072 2.987 399 H ARG 57 H ARG 57 7.693 0.085 0.773 400 HA ARG 57 HA ARG 57 9.641 -2.124 0.678 401 1HB ARG 57 HB2 ARG 57 8.054 -2.615 -1.130 402 2HB ARG 57 HB3 ARG 57 8.241 -0.980 -1.767 403 1HG ARG 57 HG2 ARG 57 10.648 -1.483 -2.282 404 2HG ARG 57 HG3 ARG 57 10.430 -3.100 -1.592 405 1HD ARG 57 HD2 ARG 57 10.313 -3.262 -3.983 406 2HD ARG 57 HD3 ARG 57 8.676 -3.521 -3.353 407 HE ARG 57 HE ARG 57 9.019 -0.739 -3.926 408 1HH1 ARG 57 HH21 ARG 57 8.778 -3.809 -5.719 409 2HH1 ARG 57 HH22 ARG 57 8.135 -3.080 -7.143 410 1HH2 ARG 57 HH11 ARG 57 8.181 0.224 -5.796 411 2HH2 ARG 57 HH12 ARG 57 7.793 -0.732 -7.193 412 H LEU 58 H LEU 58 11.700 -1.451 0.044 413 HA LEU 58 HA LEU 58 12.161 1.353 -0.744 414 1HB LEU 58 HB2 LEU 58 12.470 1.467 1.652 415 2HB LEU 58 HB3 LEU 58 13.319 -0.075 1.672 416 HG LEU 58 HG LEU 58 15.263 0.898 0.580 417 1HD1 LEU 58 HD11 LEU 58 15.574 3.235 0.201 418 2HD1 LEU 58 HD12 LEU 58 14.106 2.812 -0.669 419 3HD1 LEU 58 HD13 LEU 58 14.001 3.655 0.888 420 1HD2 LEU 58 HD21 LEU 58 15.069 0.905 3.063 421 2HD2 LEU 58 HD22 LEU 58 16.034 2.264 2.468 422 3HD2 LEU 58 HD23 LEU 58 14.355 2.520 2.992 423 H LEU 59 H LEU 59 13.855 1.546 -2.146 424 HA LEU 59 HA LEU 59 15.651 -0.760 -2.647 425 1HB LEU 59 HB2 LEU 59 14.080 -0.838 -4.482 426 2HB LEU 59 HB3 LEU 59 14.125 0.921 -4.666 427 HG LEU 59 HG LEU 59 16.477 0.798 -5.438 428 1HD1 LEU 59 HD11 LEU 59 16.101 -2.231 -5.363 429 2HD1 LEU 59 HD12 LEU 59 17.481 -1.359 -6.063 430 3HD1 LEU 59 HD13 LEU 59 17.211 -1.310 -4.325 431 1HD2 LEU 59 HD21 LEU 59 14.598 -1.012 -6.998 432 2HD2 LEU 59 HD22 LEU 59 14.580 0.759 -7.023 433 3HD2 LEU 59 HD23 LEU 59 15.990 -0.116 -7.639 434 H ILE 60 H ILE 60 17.757 -0.057 -2.738 435 HA ILE 60 HA ILE 60 18.259 2.860 -2.530 436 HB ILE 60 HB ILE 60 19.765 0.556 -1.267 437 1HG1 ILE 60 HG12 ILE 60 17.967 2.413 0.330 438 2HG1 ILE 60 HG13 ILE 60 17.366 0.896 -0.315 439 1HG2 ILE 60 HG21 ILE 60 19.897 3.576 -0.808 440 2HG2 ILE 60 HG22 ILE 60 20.802 2.385 0.137 441 3HG2 ILE 60 HG23 ILE 60 21.138 2.578 -1.581 442 1HD1 ILE 60 HD11 ILE 60 19.720 1.076 1.574 443 2HD1 ILE 60 HD12 ILE 60 18.058 0.609 1.976 444 3HD1 ILE 60 HD13 ILE 60 19.013 -0.395 0.868 445 H VAL 61 H VAL 61 20.061 3.639 -3.797 446 HA VAL 61 HA VAL 61 21.448 1.635 -5.497 447 HB VAL 61 HB VAL 61 20.018 4.083 -6.600 448 1HG1 VAL 61 HG11 VAL 61 21.643 1.850 -7.884 449 2HG1 VAL 61 HG12 VAL 61 20.596 2.939 -8.816 450 3HG1 VAL 61 HG13 VAL 61 21.972 3.592 -7.927 451 1HG2 VAL 61 HG21 VAL 61 18.305 2.455 -6.034 452 2HG2 VAL 61 HG22 VAL 61 18.530 2.458 -7.782 453 3HG2 VAL 61 HG23 VAL 61 19.228 1.152 -6.805 454 H ASP 62 H ASP 62 23.526 2.081 -5.844 455 HA ASP 62 HA ASP 62 24.689 4.718 -5.940 456 1HB ASP 62 HB2 ASP 62 24.524 4.263 -3.486 457 2HB ASP 62 HB3 ASP 62 25.516 2.822 -3.716 458 H ALA 63 H ALA 63 27.219 4.215 -6.232 459 HA ALA 63 HA ALA 63 27.598 1.983 -8.103 460 1HB ALA 63 HB1 ALA 63 28.776 4.130 -8.476 461 2HB ALA 63 HB2 ALA 63 29.566 3.977 -6.887 462 3HB ALA 63 HB3 ALA 63 29.925 2.814 -8.179 463 H THR 64 H THR 64 29.208 0.273 -7.608 464 HA THR 64 HA THR 64 30.148 -0.023 -4.847 465 HB THR 64 HB THR 64 28.448 -2.239 -6.077 466 HG1 THR 64 HG1 THR 64 27.693 -0.041 -4.599 467 1HG2 THR 64 HG21 THR 64 28.431 -3.075 -3.718 468 2HG2 THR 64 HG22 THR 64 30.057 -3.017 -4.410 469 3HG2 THR 64 HG23 THR 64 29.535 -1.761 -3.267 470 H ASP 65 H ASP 65 32.212 -0.924 -4.992 471 HA ASP 65 HA ASP 65 33.172 -1.819 -7.608 472 1HB ASP 65 HB2 ASP 65 34.639 -0.450 -6.239 473 2HB ASP 65 HB3 ASP 65 34.589 -1.653 -4.938 474 H MET 66 H MET 66 31.836 -3.593 -7.962 475 HA MET 66 HA MET 66 31.605 -5.780 -6.058 476 1HB MET 66 HB2 MET 66 30.633 -5.338 -8.925 477 2HB MET 66 HB3 MET 66 30.234 -6.761 -7.942 478 1HG MET 66 HG2 MET 66 29.255 -5.296 -6.202 479 2HG MET 66 HG3 MET 66 29.571 -3.887 -7.196 480 1HE MET 66 HE1 MET 66 27.011 -3.981 -10.009 481 2HE MET 66 HE2 MET 66 28.136 -3.012 -9.030 482 3HE MET 66 HE3 MET 66 28.754 -4.323 -10.054 483 H GLY 67 H GLY 67 34.031 -4.928 -8.287 484 1HA GLY 67 HA2 GLY 67 35.897 -6.094 -8.995 485 2HA GLY 67 HA3 GLY 67 35.305 -7.567 -8.201 486 H LEU 68 H LEU 68 33.408 -5.575 -10.466 487 HA LEU 68 HA LEU 68 33.368 -7.837 -12.417 488 1HB LEU 68 HB2 LEU 68 31.218 -5.757 -11.880 489 2HB LEU 68 HB3 LEU 68 31.110 -7.102 -13.019 490 HG LEU 68 HG LEU 68 31.316 -7.397 -10.023 491 1HD1 LEU 68 HD11 LEU 68 28.947 -7.789 -11.893 492 2HD1 LEU 68 HD12 LEU 68 28.957 -8.095 -10.140 493 3HD1 LEU 68 HD13 LEU 68 29.148 -6.446 -10.753 494 1HD2 LEU 68 HD21 LEU 68 32.273 -9.332 -11.244 495 2HD2 LEU 68 HD22 LEU 68 30.803 -9.739 -10.371 496 3HD2 LEU 68 HD23 LEU 68 30.748 -9.512 -12.136 497 H ASN 69 H ASN 69 32.191 -6.543 -14.479 498 HA ASN 69 HA ASN 69 34.398 -4.911 -15.583 499 1HB ASN 69 HB2 ASN 69 33.386 -6.753 -16.927 500 2HB ASN 69 HB3 ASN 69 31.819 -5.945 -16.848 501 1HD2 ASN 69 HD22 ASN 69 35.192 -5.592 -18.064 502 2HD2 ASN 69 HD21 ASN 69 34.782 -4.473 -19.333 503 HA PRO 70 HA PRO 70 32.422 -1.043 -14.477 504 1HB PRO 70 HB2 PRO 70 33.119 -0.257 -17.317 505 2HB PRO 70 HB3 PRO 70 33.225 0.723 -15.819 506 1HG PRO 70 HG2 PRO 70 35.442 -0.484 -16.771 507 2HG PRO 70 HG3 PRO 70 35.077 -0.599 -15.019 508 1HD PRO 70 HD2 PRO 70 34.603 -2.662 -17.168 509 2HD PRO 70 HD3 PRO 70 35.224 -2.884 -15.504 510 H GLY 71 H GLY 71 30.339 -0.404 -14.397 511 1HA GLY 71 HA2 GLY 71 28.219 0.120 -15.105 512 2HA GLY 71 HA3 GLY 71 28.616 -0.381 -16.751 513 H GLU 72 H GLU 72 29.495 -3.006 -14.745 514 HA GLU 72 HA GLU 72 27.097 -4.530 -15.306 515 1HB GLU 72 HB2 GLU 72 29.574 -4.946 -13.580 516 2HB GLU 72 HB3 GLU 72 28.202 -6.015 -13.409 517 1HG GLU 72 HG2 GLU 72 29.645 -5.513 -16.037 518 2HG GLU 72 HG3 GLU 72 29.921 -6.898 -14.983 519 H ILE 73 H ILE 73 25.646 -5.307 -13.726 520 HA ILE 73 HA ILE 73 25.080 -3.440 -11.485 521 HB ILE 73 HB ILE 73 23.166 -4.522 -13.613 522 1HG1 ILE 73 HG12 ILE 73 24.211 -1.685 -13.212 523 2HG1 ILE 73 HG13 ILE 73 24.599 -2.765 -14.546 524 1HG2 ILE 73 HG21 ILE 73 21.494 -3.028 -12.502 525 2HG2 ILE 73 HG22 ILE 73 22.038 -4.321 -11.462 526 3HG2 ILE 73 HG23 ILE 73 22.703 -2.687 -11.239 527 1HD1 ILE 73 HD11 ILE 73 21.909 -1.482 -14.039 528 2HD1 ILE 73 HD12 ILE 73 23.027 -1.223 -15.382 529 3HD1 ILE 73 HD13 ILE 73 22.201 -2.779 -15.232 530 H ARG 74 H ARG 74 24.222 -4.509 -9.648 531 HA ARG 74 HA ARG 74 23.133 -7.228 -9.937 532 1HB ARG 74 HB2 ARG 74 25.404 -6.620 -8.008 533 2HB ARG 74 HB3 ARG 74 24.406 -8.059 -7.976 534 1HG ARG 74 HG2 ARG 74 26.245 -7.326 -10.272 535 2HG ARG 74 HG3 ARG 74 26.628 -8.439 -8.962 536 1HD ARG 74 HD2 ARG 74 24.665 -9.847 -9.582 537 2HD ARG 74 HD3 ARG 74 24.373 -8.818 -10.985 538 HE ARG 74 HE ARG 74 26.403 -10.847 -10.581 539 1HH1 ARG 74 HH21 ARG 74 25.605 -7.941 -12.494 540 2HH1 ARG 74 HH22 ARG 74 26.749 -8.265 -13.767 541 1HH2 ARG 74 HH11 ARG 74 27.954 -11.259 -12.247 542 2HH2 ARG 74 HH12 ARG 74 28.253 -10.111 -13.513 543 H ILE 75 H ILE 75 21.782 -7.773 -8.181 544 HA ILE 75 HA ILE 75 20.947 -5.593 -6.360 545 HB ILE 75 HB ILE 75 20.141 -8.534 -6.530 546 1HG1 ILE 75 HG12 ILE 75 19.391 -7.553 -8.522 547 2HG1 ILE 75 HG13 ILE 75 17.997 -7.678 -7.465 548 1HG2 ILE 75 HG21 ILE 75 18.188 -7.904 -5.145 549 2HG2 ILE 75 HG22 ILE 75 19.707 -7.716 -4.280 550 3HG2 ILE 75 HG23 ILE 75 18.878 -6.284 -4.920 551 1HD1 ILE 75 HD11 ILE 75 18.206 -5.254 -6.904 552 2HD1 ILE 75 HD12 ILE 75 19.536 -5.135 -8.084 553 3HD1 ILE 75 HD13 ILE 75 17.907 -5.579 -8.623 554 H ILE 76 H ILE 76 21.457 -5.657 -4.099 555 HA ILE 76 HA ILE 76 23.367 -7.735 -3.215 556 HB ILE 76 HB ILE 76 23.874 -4.953 -2.254 557 1HG1 ILE 76 HG12 ILE 76 24.925 -5.975 -4.929 558 2HG1 ILE 76 HG13 ILE 76 23.914 -4.548 -4.661 559 1HG2 ILE 76 HG21 ILE 76 25.004 -7.063 -1.317 560 2HG2 ILE 76 HG22 ILE 76 25.747 -7.287 -2.901 561 3HG2 ILE 76 HG23 ILE 76 26.126 -5.864 -1.908 562 1HD1 ILE 76 HD11 ILE 76 26.810 -4.890 -3.806 563 2HD1 ILE 76 HD12 ILE 76 26.162 -3.815 -5.035 564 3HD1 ILE 76 HD13 ILE 76 25.780 -3.519 -3.324 565 H ASP 77 H ASP 77 23.455 -7.759 -0.780 566 HA ASP 77 HA ASP 77 20.772 -7.294 0.421 567 1HB ASP 77 HB2 ASP 77 20.930 -9.591 -0.436 568 2HB ASP 77 HB3 ASP 77 22.508 -9.808 0.317 569 HA PRO 78 HA PRO 78 23.230 -5.424 3.536 570 1HB PRO 78 HB2 PRO 78 21.966 -6.204 5.928 571 2HB PRO 78 HB3 PRO 78 21.479 -4.862 4.853 572 1HG PRO 78 HG2 PRO 78 20.458 -7.717 4.866 573 2HG PRO 78 HG3 PRO 78 19.497 -6.210 4.809 574 1HD PRO 78 HD2 PRO 78 19.962 -7.528 2.542 575 2HD PRO 78 HD3 PRO 78 20.218 -5.770 2.538 576 H ASP 79 H ASP 79 22.835 -8.938 3.839 577 HA ASP 79 HA ASP 79 24.887 -9.290 5.857 578 1HB ASP 79 HB2 ASP 79 23.123 -10.962 5.394 579 2HB ASP 79 HB3 ASP 79 23.789 -11.215 3.776 580 H ASP 80 H ASP 80 24.972 -8.598 2.463 581 HA ASP 80 HA ASP 80 27.772 -9.598 2.163 582 1HB ASP 80 HB2 ASP 80 26.073 -10.762 0.818 583 2HB ASP 80 HB3 ASP 80 25.555 -9.226 0.123 584 H ILE 81 H ILE 81 25.605 -6.847 1.645 585 HA ILE 81 HA ILE 81 27.287 -4.977 0.384 586 HB ILE 81 HB ILE 81 25.183 -4.752 2.562 587 1HG1 ILE 81 HG12 ILE 81 25.147 -3.898 -0.372 588 2HG1 ILE 81 HG13 ILE 81 24.565 -5.447 0.220 589 1HG2 ILE 81 HG21 ILE 81 25.037 -2.342 2.304 590 2HG2 ILE 81 HG22 ILE 81 26.663 -2.747 2.831 591 3HG2 ILE 81 HG23 ILE 81 26.359 -2.337 1.133 592 1HD1 ILE 81 HD11 ILE 81 23.376 -2.731 0.771 593 2HD1 ILE 81 HD12 ILE 81 22.641 -4.156 0.004 594 3HD1 ILE 81 HD13 ILE 81 22.966 -4.172 1.734 595 H ALA 82 H ALA 82 27.216 -6.047 3.751 596 HA ALA 82 HA ALA 82 28.877 -4.176 4.940 597 1HB ALA 82 HB1 ALA 82 29.245 -5.933 6.656 598 2HB ALA 82 HB2 ALA 82 27.546 -5.902 6.135 599 3HB ALA 82 HB3 ALA 82 28.649 -7.162 5.518 600 H GLU 83 H GLU 83 29.853 -6.791 2.791 601 HA GLU 83 HA GLU 83 32.732 -6.221 3.395 602 1HB GLU 83 HB2 GLU 83 31.421 -8.656 2.129 603 2HB GLU 83 HB3 GLU 83 33.166 -8.369 2.216 604 1HG GLU 83 HG2 GLU 83 33.001 -8.254 4.713 605 2HG GLU 83 HG3 GLU 83 31.288 -8.662 4.602 606 H MET 84 H MET 84 30.258 -6.529 0.847 607 HA MET 84 HA MET 84 32.112 -6.099 -1.286 608 1HB MET 84 HB2 MET 84 29.084 -5.949 -1.154 609 2HB MET 84 HB3 MET 84 29.984 -5.636 -2.644 610 1HG MET 84 HG2 MET 84 30.192 -8.194 -1.017 611 2HG MET 84 HG3 MET 84 29.219 -7.974 -2.467 612 1HE MET 84 HE1 MET 84 31.975 -10.386 -3.764 613 2HE MET 84 HE2 MET 84 31.232 -10.372 -2.148 614 3HE MET 84 HE3 MET 84 30.233 -10.083 -3.590 615 H PHE 85 H PHE 85 30.397 -3.759 0.749 616 HA PHE 85 HA PHE 85 30.993 -1.575 -1.081 617 1HB PHE 85 HB2 PHE 85 29.722 -1.805 1.600 618 2HB PHE 85 HB3 PHE 85 30.691 -0.363 1.363 619 HD1 PHE 85 HD1 PHE 85 28.099 -2.439 -0.429 620 HD2 PHE 85 HD2 PHE 85 29.849 1.468 0.164 621 HE1 PHE 85 HE1 PHE 85 26.518 -1.465 -2.078 622 HE2 PHE 85 HE2 PHE 85 28.283 2.419 -1.509 623 HZ PHE 85 HZ PHE 85 26.651 0.948 -2.654 624 H MET 86 H MET 86 32.636 -2.902 1.819 625 HA MET 86 HA MET 86 34.697 -0.878 1.682 626 1HB MET 86 HB2 MET 86 35.712 -1.988 3.548 627 2HB MET 86 HB3 MET 86 33.986 -1.778 3.815 628 1HG MET 86 HG2 MET 86 33.553 -4.107 3.309 629 2HG MET 86 HG3 MET 86 35.225 -4.385 2.823 630 1HE MET 86 HE1 MET 86 37.056 -3.095 5.046 631 2HE MET 86 HE2 MET 86 37.198 -4.479 6.148 632 3HE MET 86 HE3 MET 86 37.223 -4.741 4.390 633 H MET 87 H MET 87 34.269 -3.123 -0.557 634 HA MET 87 HA MET 87 36.746 -4.414 -1.004 635 1HB MET 87 HB2 MET 87 34.686 -3.196 -2.887 636 2HB MET 87 HB3 MET 87 36.059 -4.142 -3.459 637 1HG MET 87 HG2 MET 87 34.106 -5.207 -1.417 638 2HG MET 87 HG3 MET 87 33.811 -5.340 -3.142 639 1HE MET 87 HE1 MET 87 34.787 -7.039 -4.706 640 2HE MET 87 HE2 MET 87 36.328 -6.155 -4.620 641 3HE MET 87 HE3 MET 87 36.306 -7.921 -4.437 642 H THR 88 H THR 88 35.839 -0.997 -1.317 643 HA THR 88 HA THR 88 38.047 -0.201 -2.970 644 HB THR 88 HB THR 88 37.040 2.072 -2.397 645 HG1 THR 88 HG1 THR 88 36.117 1.697 -0.407 646 1HG2 THR 88 HG21 THR 88 34.964 1.684 -3.622 647 2HG2 THR 88 HG22 THR 88 36.229 0.663 -4.326 648 3HG2 THR 88 HG23 THR 88 35.004 -0.052 -3.253 649 H THR 89 H THR 89 38.945 -1.647 -0.671 650 HA THR 89 HA THR 89 40.417 -1.744 0.972 651 HB THR 89 HB THR 89 41.158 1.161 0.484 652 HG1 THR 89 HG1 THR 89 41.285 -0.071 -1.422 653 1HG2 THR 89 HG21 THR 89 43.383 0.434 1.293 654 2HG2 THR 89 HG22 THR 89 42.143 0.241 2.537 655 3HG2 THR 89 HG23 THR 89 42.728 -1.182 1.648 656 H HIS 90 H HIS 90 38.414 1.232 1.144 657 HA HIS 90 HA HIS 90 37.278 0.278 3.642 658 1HB HIS 90 HB2 HIS 90 39.214 1.689 4.407 659 2HB HIS 90 HB3 HIS 90 38.583 3.039 3.465 660 HD1 HIS 90 HD1 HIS 90 36.668 4.472 4.662 661 HD2 HIS 90 HD2 HIS 90 37.681 0.850 6.560 662 HE1 HIS 90 HE1 HIS 90 35.433 4.460 6.885 663 H ASN 91 H ASN 91 35.180 1.349 3.962 664 HA ASN 91 HA ASN 91 34.237 3.426 2.261 665 1HB ASN 91 HB2 ASN 91 34.119 1.081 0.900 666 2HB ASN 91 HB3 ASN 91 32.630 0.910 1.814 667 1HD2 ASN 91 HD22 ASN 91 33.766 1.817 -1.098 668 2HD2 ASN 91 HD21 ASN 91 32.579 3.039 -1.542 669 H MET 92 H MET 92 31.679 3.471 2.672 670 HA MET 92 HA MET 92 31.158 3.210 5.548 671 1HB MET 92 HB2 MET 92 29.374 3.920 3.170 672 2HB MET 92 HB3 MET 92 28.855 3.884 4.858 673 1HG MET 92 HG2 MET 92 30.530 5.626 5.413 674 2HG MET 92 HG3 MET 92 30.999 5.703 3.708 675 1HE MET 92 HE1 MET 92 30.620 8.319 3.685 676 2HE MET 92 HE2 MET 92 29.128 9.108 4.243 677 3HE MET 92 HE3 MET 92 30.169 8.256 5.405 678 HA PRO 93 HA PRO 93 29.652 -1.023 4.612 679 1HB PRO 93 HB2 PRO 93 29.150 -1.916 7.133 680 2HB PRO 93 HB3 PRO 93 30.818 -1.655 6.550 681 1HG PRO 93 HG2 PRO 93 29.123 0.239 8.215 682 2HG PRO 93 HG3 PRO 93 30.811 -0.284 8.508 683 1HD PRO 93 HD2 PRO 93 30.167 2.067 7.231 684 2HD PRO 93 HD3 PRO 93 31.641 1.130 6.835 685 H LEU 94 H LEU 94 28.014 0.402 3.562 686 HA LEU 94 HA LEU 94 25.985 1.728 4.688 687 1HB LEU 94 HB2 LEU 94 26.719 0.891 2.055 688 2HB LEU 94 HB3 LEU 94 24.975 0.676 2.189 689 HG LEU 94 HG LEU 94 26.473 3.217 2.964 690 1HD1 LEU 94 HD11 LEU 94 26.684 2.791 0.559 691 2HD1 LEU 94 HD12 LEU 94 24.924 2.621 0.409 692 3HD1 LEU 94 HD13 LEU 94 25.642 4.183 0.860 693 1HD2 LEU 94 HD21 LEU 94 24.233 4.301 2.854 694 2HD2 LEU 94 HD22 LEU 94 23.481 2.719 2.554 695 3HD2 LEU 94 HD23 LEU 94 24.278 3.060 4.101 696 H ASN 95 H ASN 95 25.938 -1.682 4.798 697 HA ASN 95 HA ASN 95 23.168 -2.174 5.054 698 1HB ASN 95 HB2 ASN 95 23.667 -4.166 6.026 699 2HB ASN 95 HB3 ASN 95 25.171 -3.875 5.159 700 1HD2 ASN 95 HD22 ASN 95 26.696 -2.245 6.922 701 2HD2 ASN 95 HD21 ASN 95 26.862 -3.097 8.425 702 H TYR 96 H TYR 96 25.233 -0.239 7.171 703 HA TYR 96 HA TYR 96 23.816 -0.430 9.583 704 1HB TYR 96 HB2 TYR 96 24.739 1.662 10.182 705 2HB TYR 96 HB3 TYR 96 25.946 0.859 9.202 706 HD1 TYR 96 HD1 TYR 96 26.789 1.937 7.195 707 HD2 TYR 96 HD2 TYR 96 23.355 3.590 9.223 708 HE1 TYR 96 HE1 TYR 96 26.847 3.913 5.709 709 HE2 TYR 96 HE2 TYR 96 23.373 5.511 7.697 710 HH TYR 96 HH TYR 96 25.871 5.954 5.159 711 H LEU 97 H LEU 97 22.953 1.302 6.596 712 HA LEU 97 HA LEU 97 20.789 2.813 7.805 713 1HB LEU 97 HB2 LEU 97 22.017 3.616 5.874 714 2HB LEU 97 HB3 LEU 97 21.572 2.214 4.913 715 HG LEU 97 HG LEU 97 19.263 3.733 6.070 716 1HD1 LEU 97 HD11 LEU 97 20.814 5.582 5.471 717 2HD1 LEU 97 HD12 LEU 97 20.958 4.908 3.836 718 3HD1 LEU 97 HD13 LEU 97 19.392 5.537 4.424 719 1HD2 LEU 97 HD21 LEU 97 18.324 3.373 3.822 720 2HD2 LEU 97 HD22 LEU 97 19.885 2.758 3.242 721 3HD2 LEU 97 HD23 LEU 97 18.955 1.845 4.445 722 H ILE 98 H ILE 98 21.067 -0.161 5.857 723 HA ILE 98 HA ILE 98 18.268 -0.645 5.599 724 HB ILE 98 HB ILE 98 20.655 -2.548 5.525 725 1HG1 ILE 98 HG12 ILE 98 19.106 -1.243 3.246 726 2HG1 ILE 98 HG13 ILE 98 20.669 -0.678 3.829 727 1HG2 ILE 98 HG21 ILE 98 19.052 -4.039 4.198 728 2HG2 ILE 98 HG22 ILE 98 18.707 -3.900 5.915 729 3HG2 ILE 98 HG23 ILE 98 17.742 -2.987 4.748 730 1HD1 ILE 98 HD11 ILE 98 20.123 -3.307 2.422 731 2HD1 ILE 98 HD12 ILE 98 21.107 -1.945 1.888 732 3HD1 ILE 98 HD13 ILE 98 21.651 -2.923 3.260 733 H ASP 99 H ASP 99 20.707 -1.711 8.025 734 HA ASP 99 HA ASP 99 19.045 -3.542 9.308 735 1HB ASP 99 HB2 ASP 99 21.493 -3.473 9.529 736 2HB ASP 99 HB3 ASP 99 21.408 -1.918 10.357 737 H GLN 100 H GLN 100 18.853 -0.103 9.538 738 HA GLN 100 HA GLN 100 17.182 -0.308 12.003 739 1HB GLN 100 HB2 GLN 100 17.698 1.980 12.482 740 2HB GLN 100 HB3 GLN 100 19.180 1.055 12.275 741 1HG GLN 100 HG2 GLN 100 19.313 1.971 9.901 742 2HG GLN 100 HG3 GLN 100 17.964 3.032 10.300 743 1HE2 GLN 100 HE22 GLN 100 21.382 2.417 10.677 744 2HE2 GLN 100 HE21 GLN 100 21.766 3.846 11.631 745 H LEU 101 H LEU 101 16.626 -0.616 8.924 746 HA LEU 101 HA LEU 101 14.040 0.892 9.000 747 1HB LEU 101 HB2 LEU 101 15.991 0.484 6.695 748 2HB LEU 101 HB3 LEU 101 14.312 0.935 6.451 749 HG LEU 101 HG LEU 101 16.287 2.608 8.064 750 1HD1 LEU 101 HD11 LEU 101 15.300 2.940 5.203 751 2HD1 LEU 101 HD12 LEU 101 16.318 4.095 6.094 752 3HD1 LEU 101 HD13 LEU 101 16.935 2.481 5.707 753 1HD2 LEU 101 HD21 LEU 101 14.534 4.402 7.672 754 2HD2 LEU 101 HD22 LEU 101 13.443 3.137 7.086 755 3HD2 LEU 101 HD23 LEU 101 14.024 3.108 8.765 756 H LYS 102 H LYS 102 15.827 -1.988 7.934 757 HA LYS 102 HA LYS 102 13.745 -3.448 6.778 758 1HB LYS 102 HB2 LYS 102 15.166 -5.321 6.974 759 2HB LYS 102 HB3 LYS 102 16.266 -3.944 6.847 760 1HG LYS 102 HG2 LYS 102 16.605 -3.990 9.310 761 2HG LYS 102 HG3 LYS 102 15.538 -5.404 9.411 762 1HD LYS 102 HD2 LYS 102 17.046 -6.689 7.932 763 2HD LYS 102 HD3 LYS 102 18.097 -5.283 7.771 764 1HE LYS 102 HE2 LYS 102 19.090 -6.786 9.360 765 2HE LYS 102 HE3 LYS 102 18.572 -5.329 10.205 766 1HZ LYS 102 HZ1 LYS 102 16.659 -6.513 11.057 767 2HZ LYS 102 HZ2 LYS 102 17.046 -7.868 10.198 768 3HZ LYS 102 HZ3 LYS 102 18.011 -7.354 11.406 769 H GLU 103 H GLU 103 14.201 -2.675 10.130 770 HA GLU 103 HA GLU 103 12.757 -4.833 11.288 771 1HB GLU 103 HB2 GLU 103 13.318 -2.013 12.300 772 2HB GLU 103 HB3 GLU 103 12.732 -3.346 13.296 773 1HG GLU 103 HG2 GLU 103 15.416 -3.233 11.859 774 2HG GLU 103 HG3 GLU 103 15.149 -2.977 13.576 775 H ASP 104 H ASP 104 11.627 -2.097 9.455 776 HA ASP 104 HA ASP 104 8.838 -2.672 10.355 777 1HB ASP 104 HB2 ASP 104 9.670 -0.639 11.524 778 2HB ASP 104 HB3 ASP 104 9.980 0.113 9.953 779 H ILE 105 H ILE 105 11.014 -1.502 7.744 780 HA ILE 105 HA ILE 105 8.857 -1.217 5.854 781 HB ILE 105 HB ILE 105 11.865 -1.462 5.467 782 1HG1 ILE 105 HG12 ILE 105 9.958 0.914 5.565 783 2HG1 ILE 105 HG13 ILE 105 11.269 0.555 6.685 784 1HG2 ILE 105 HG21 ILE 105 9.714 -0.701 3.431 785 2HG2 ILE 105 HG22 ILE 105 11.464 -0.655 3.148 786 3HG2 ILE 105 HG23 ILE 105 10.690 -2.187 3.428 787 1HD1 ILE 105 HD11 ILE 105 11.497 1.546 3.834 788 2HD1 ILE 105 HD12 ILE 105 12.067 2.298 5.325 789 3HD1 ILE 105 HD13 ILE 105 12.878 0.844 4.705 790 H GLY 106 H GLY 106 8.087 -2.678 4.433 791 1HA GLY 106 HA2 GLY 106 8.011 -5.405 5.188 792 2HA GLY 106 HA3 GLY 106 7.370 -4.715 3.691 793 H GLU 107 H GLU 107 9.736 -3.811 2.379 794 HA GLU 107 HA GLU 107 11.663 -6.046 2.440 795 1HB GLU 107 HB2 GLU 107 9.845 -6.490 0.693 796 2HB GLU 107 HB3 GLU 107 10.328 -4.988 -0.101 797 1HG GLU 107 HG2 GLU 107 11.377 -6.817 -1.249 798 2HG GLU 107 HG3 GLU 107 12.632 -5.933 -0.393 799 H VAL 108 H VAL 108 13.758 -5.272 2.144 800 HA VAL 108 HA VAL 108 14.098 -2.494 1.162 801 HB VAL 108 HB VAL 108 15.612 -3.745 3.490 802 1HG1 VAL 108 HG11 VAL 108 16.511 -1.349 3.660 803 2HG1 VAL 108 HG12 VAL 108 17.064 -2.261 2.246 804 3HG1 VAL 108 HG13 VAL 108 15.787 -1.050 2.069 805 1HG2 VAL 108 HG21 VAL 108 13.357 -3.105 4.213 806 2HG2 VAL 108 HG22 VAL 108 14.569 -2.008 4.887 807 3HG2 VAL 108 HG23 VAL 108 13.580 -1.488 3.507 808 H ILE 109 H ILE 109 15.411 -2.460 -0.527 809 HA ILE 109 HA ILE 109 17.074 -4.847 -1.174 810 HB ILE 109 HB ILE 109 15.484 -3.092 -3.082 811 1HG1 ILE 109 HG12 ILE 109 14.453 -5.828 -2.260 812 2HG1 ILE 109 HG13 ILE 109 13.938 -4.377 -1.406 813 1HG2 ILE 109 HG21 ILE 109 16.748 -5.864 -3.337 814 2HG2 ILE 109 HG22 ILE 109 15.738 -5.120 -4.593 815 3HG2 ILE 109 HG23 ILE 109 17.269 -4.376 -4.157 816 1HD1 ILE 109 HD11 ILE 109 12.301 -4.864 -3.033 817 2HD1 ILE 109 HD12 ILE 109 13.115 -3.341 -3.424 818 3HD1 ILE 109 HD13 ILE 109 13.495 -4.820 -4.352 819 H PHE 110 H PHE 110 18.963 -4.339 -2.521 820 HA PHE 110 HA PHE 110 19.668 -1.470 -2.757 821 1HB PHE 110 HB2 PHE 110 20.744 -2.728 -0.736 822 2HB PHE 110 HB3 PHE 110 21.664 -3.600 -1.956 823 HD1 PHE 110 HD1 PHE 110 23.169 -2.198 -3.571 824 HD2 PHE 110 HD2 PHE 110 21.421 -0.616 0.041 825 HE1 PHE 110 HE1 PHE 110 24.681 -0.244 -3.690 826 HE2 PHE 110 HE2 PHE 110 22.989 1.293 -0.038 827 HZ PHE 110 HZ PHE 110 24.577 1.521 -1.928 828 H LEU 111 H LEU 111 20.772 -1.057 -4.715 829 HA LEU 111 HA LEU 111 21.582 -3.377 -6.386 830 1HB LEU 111 HB2 LEU 111 19.532 -2.546 -7.279 831 2HB LEU 111 HB3 LEU 111 20.061 -0.870 -7.194 832 HG LEU 111 HG LEU 111 21.657 -2.820 -8.853 833 1HD1 LEU 111 HD11 LEU 111 20.170 -2.310 -10.803 834 2HD1 LEU 111 HD12 LEU 111 19.335 -3.222 -9.553 835 3HD1 LEU 111 HD13 LEU 111 19.066 -1.466 -9.709 836 1HD2 LEU 111 HD21 LEU 111 20.934 0.125 -9.256 837 2HD2 LEU 111 HD22 LEU 111 22.498 -0.463 -8.661 838 3HD2 LEU 111 HD23 LEU 111 22.000 -0.823 -10.302 839 H GLY 112 H GLY 112 23.616 -3.187 -7.149 840 1HA GLY 112 HA2 GLY 112 25.121 -0.659 -6.604 841 2HA GLY 112 HA3 GLY 112 25.817 -2.269 -6.482 842 H ILE 113 H ILE 113 26.720 -0.150 -8.178 843 HA ILE 113 HA ILE 113 26.499 -1.454 -10.837 844 HB ILE 113 HB ILE 113 26.503 1.536 -10.251 845 1HG1 ILE 113 HG12 ILE 113 24.311 -0.106 -11.604 846 2HG1 ILE 113 HG13 ILE 113 24.282 0.373 -9.906 847 1HG2 ILE 113 HG21 ILE 113 26.370 1.839 -12.703 848 2HG2 ILE 113 HG22 ILE 113 27.836 0.988 -12.269 849 3HG2 ILE 113 HG23 ILE 113 26.469 0.074 -12.933 850 1HD1 ILE 113 HD11 ILE 113 24.228 2.271 -12.259 851 2HD1 ILE 113 HD12 ILE 113 22.946 1.937 -11.081 852 3HD1 ILE 113 HD13 ILE 113 24.436 2.744 -10.551 853 H GLN 114 H GLN 114 28.543 -1.953 -11.572 854 HA GLN 114 HA GLN 114 30.831 -1.541 -9.940 855 1HB GLN 114 HB2 GLN 114 30.577 -3.461 -11.394 856 2HB GLN 114 HB3 GLN 114 30.524 -2.424 -12.819 857 1HG GLN 114 HG2 GLN 114 32.702 -3.445 -12.620 858 2HG GLN 114 HG3 GLN 114 32.868 -1.721 -12.423 859 1HE2 GLN 114 HE22 GLN 114 34.318 -1.190 -10.801 860 2HE2 GLN 114 HE21 GLN 114 34.655 -2.210 -9.391 861 HA PRO 115 HA PRO 115 31.892 2.524 -11.796 862 1HB PRO 115 HB2 PRO 115 33.643 3.411 -9.953 863 2HB PRO 115 HB3 PRO 115 31.896 3.321 -9.583 864 1HG PRO 115 HG2 PRO 115 34.047 1.286 -8.888 865 2HG PRO 115 HG3 PRO 115 32.827 2.019 -7.795 866 1HD PRO 115 HD2 PRO 115 32.448 -0.401 -9.018 867 2HD PRO 115 HD3 PRO 115 31.107 0.724 -8.687 868 H ASP 116 H ASP 116 33.971 3.482 -12.436 869 HA ASP 116 HA ASP 116 36.329 1.678 -12.701 870 1HB ASP 116 HB2 ASP 116 35.079 1.713 -14.844 871 2HB ASP 116 HB3 ASP 116 35.129 3.476 -14.847 872 H ILE 117 H ILE 117 34.938 4.968 -12.438 873 HA ILE 117 HA ILE 117 37.625 6.080 -11.854 874 HB ILE 117 HB ILE 117 36.186 6.440 -14.158 875 1HG1 ILE 117 HG12 ILE 117 38.507 7.008 -13.822 876 2HG1 ILE 117 HG13 ILE 117 37.597 8.189 -14.758 877 1HG2 ILE 117 HG21 ILE 117 35.326 8.770 -14.221 878 2HG2 ILE 117 HG22 ILE 117 34.308 7.623 -13.344 879 3HG2 ILE 117 HG23 ILE 117 35.319 8.798 -12.465 880 1HD1 ILE 117 HD11 ILE 117 38.323 8.487 -11.809 881 2HD1 ILE 117 HD12 ILE 117 39.159 9.271 -13.167 882 3HD1 ILE 117 HD13 ILE 117 37.473 9.690 -12.814 883 H VAL 118 H VAL 118 37.656 6.850 -9.759 884 HA VAL 118 HA VAL 118 35.211 8.069 -8.647 885 HB VAL 118 HB VAL 118 36.726 5.788 -7.312 886 1HG1 VAL 118 HG11 VAL 118 34.405 7.489 -6.294 887 2HG1 VAL 118 HG12 VAL 118 35.022 6.026 -5.495 888 3HG1 VAL 118 HG13 VAL 118 36.053 7.450 -5.634 889 1HG2 VAL 118 HG21 VAL 118 34.539 4.596 -7.322 890 2HG2 VAL 118 HG22 VAL 118 33.842 5.904 -8.302 891 3HG2 VAL 118 HG23 VAL 118 35.146 4.882 -8.950 892 H GLY 119 H GLY 119 35.743 9.872 -7.582 893 1HA GLY 119 HA2 GLY 119 37.659 10.559 -5.834 894 2HA GLY 119 HA3 GLY 119 38.540 10.731 -7.365 895 H PHE 120 H PHE 120 37.792 12.934 -5.577 896 HA PHE 120 HA PHE 120 35.354 14.141 -6.419 897 1HB PHE 120 HB2 PHE 120 37.784 15.293 -5.003 898 2HB PHE 120 HB3 PHE 120 36.273 16.156 -5.247 899 HD1 PHE 120 HD1 PHE 120 34.074 15.051 -4.370 900 HD2 PHE 120 HD2 PHE 120 38.029 13.931 -3.043 901 HE1 PHE 120 HE1 PHE 120 33.108 14.053 -2.316 902 HE2 PHE 120 HE2 PHE 120 37.051 12.939 -0.989 903 HZ PHE 120 HZ PHE 120 34.591 12.998 -0.622 904 H TYR 121 H TYR 121 34.958 15.837 -7.634 905 HA TYR 121 HA TYR 121 34.847 17.026 -9.471 906 1HB TYR 121 HB2 TYR 121 36.581 18.343 -8.142 907 2HB TYR 121 HB3 TYR 121 37.795 17.671 -9.218 908 HD1 TYR 121 HD1 TYR 121 34.532 19.556 -9.213 909 HD2 TYR 121 HD2 TYR 121 38.268 18.841 -11.252 910 HE1 TYR 121 HE1 TYR 121 34.013 21.388 -10.797 911 HE2 TYR 121 HE2 TYR 121 37.766 20.674 -12.833 912 HH TYR 121 HH TYR 121 36.242 22.324 -13.463 913 H TYR 122 H TYR 122 35.026 14.308 -9.865 914 HA TYR 122 HA TYR 122 36.307 14.214 -12.563 915 1HB TYR 122 HB2 TYR 122 35.697 11.888 -10.712 916 2HB TYR 122 HB3 TYR 122 36.215 11.745 -12.376 917 HD1 TYR 122 HD1 TYR 122 37.486 10.277 -10.238 918 HD2 TYR 122 HD2 TYR 122 38.415 14.187 -11.806 919 HE1 TYR 122 HE1 TYR 122 39.836 10.016 -9.495 920 HE2 TYR 122 HE2 TYR 122 40.747 13.941 -11.070 921 HH TYR 122 HH TYR 122 42.314 12.573 -10.015 922 HA PRO 123 HA PRO 123 31.972 13.632 -13.730 923 1HB PRO 123 HB2 PRO 123 32.247 12.928 -16.338 924 2HB PRO 123 HB3 PRO 123 32.598 14.589 -15.769 925 1HG PRO 123 HG2 PRO 123 34.562 12.327 -16.245 926 2HG PRO 123 HG3 PRO 123 34.669 14.023 -16.821 927 1HD PRO 123 HD2 PRO 123 35.938 13.130 -14.554 928 2HD PRO 123 HD3 PRO 123 35.303 14.798 -14.694 929 H MET 124 H MET 124 30.592 11.823 -14.378 930 HA MET 124 HA MET 124 31.538 9.153 -13.633 931 1HB MET 124 HB2 MET 124 29.296 9.973 -13.027 932 2HB MET 124 HB3 MET 124 28.916 10.294 -14.723 933 1HG MET 124 HG2 MET 124 29.106 7.846 -15.187 934 2HG MET 124 HG3 MET 124 29.340 7.553 -13.477 935 1HE MET 124 HE1 MET 124 27.479 7.955 -11.612 936 2HE MET 124 HE2 MET 124 27.292 9.661 -12.094 937 3HE MET 124 HE3 MET 124 25.867 8.623 -11.967 938 H THR 125 H THR 125 31.864 7.497 -15.112 939 HA THR 125 HA THR 125 32.565 8.273 -17.853 940 HB THR 125 HB THR 125 33.307 5.874 -17.977 941 HG1 THR 125 HG1 THR 125 32.561 5.870 -15.219 942 1HG2 THR 125 HG21 THR 125 35.242 6.095 -16.443 943 2HG2 THR 125 HG22 THR 125 34.969 7.506 -17.482 944 3HG2 THR 125 HG23 THR 125 34.488 7.561 -15.783 945 H GLN 126 H GLN 126 31.774 7.096 -19.734 946 HA GLN 126 HA GLN 126 29.047 7.155 -20.008 947 1HB GLN 126 HB2 GLN 126 30.667 7.336 -21.823 948 2HB GLN 126 HB3 GLN 126 31.129 5.646 -21.627 949 1HG GLN 126 HG2 GLN 126 29.697 5.894 -23.546 950 2HG GLN 126 HG3 GLN 126 28.875 4.927 -22.334 951 1HE2 GLN 126 HE22 GLN 126 27.040 5.913 -21.157 952 2HE2 GLN 126 HE21 GLN 126 26.200 7.284 -21.858 953 HA PRO 127 HA PRO 127 28.550 2.481 -19.715 954 1HB PRO 127 HB2 PRO 127 30.125 0.919 -18.084 955 2HB PRO 127 HB3 PRO 127 30.417 1.198 -19.825 956 1HG PRO 127 HG2 PRO 127 31.732 2.533 -17.469 957 2HG PRO 127 HG3 PRO 127 32.474 1.978 -18.996 958 1HD PRO 127 HD2 PRO 127 31.784 4.571 -18.459 959 2HD PRO 127 HD3 PRO 127 31.797 3.914 -20.123 960 H ILE 128 H ILE 128 29.637 4.269 -16.799 961 HA ILE 128 HA ILE 128 27.634 2.913 -15.151 962 HB ILE 128 HB ILE 128 29.525 5.210 -14.590 963 1HG1 ILE 128 HG12 ILE 128 30.438 3.628 -12.916 964 2HG1 ILE 128 HG13 ILE 128 29.291 2.395 -13.398 965 1HG2 ILE 128 HG21 ILE 128 27.568 3.907 -12.629 966 2HG2 ILE 128 HG22 ILE 128 28.763 5.167 -12.258 967 3HG2 ILE 128 HG23 ILE 128 27.390 5.534 -13.288 968 1HD1 ILE 128 HD11 ILE 128 31.692 2.155 -14.218 969 2HD1 ILE 128 HD12 ILE 128 30.430 2.006 -15.448 970 3HD1 ILE 128 HD13 ILE 128 31.365 3.515 -15.293 971 H LYS 129 H LYS 129 27.941 5.999 -16.943 972 HA LYS 129 HA LYS 129 25.385 7.057 -16.223 973 1HB LYS 129 HB2 LYS 129 26.903 7.240 -18.868 974 2HB LYS 129 HB3 LYS 129 25.391 8.087 -18.547 975 1HG LYS 129 HG2 LYS 129 26.422 9.312 -16.687 976 2HG LYS 129 HG3 LYS 129 27.963 8.479 -16.981 977 1HD LYS 129 HD2 LYS 129 28.092 9.442 -19.241 978 2HD LYS 129 HD3 LYS 129 26.515 10.237 -19.008 979 1HE LYS 129 HE2 LYS 129 27.433 11.510 -17.095 980 2HE LYS 129 HE3 LYS 129 29.000 10.717 -17.308 981 1HZ LYS 129 HZ1 LYS 129 27.714 12.497 -19.303 982 2HZ LYS 129 HZ2 LYS 129 28.959 12.905 -18.338 983 3HZ LYS 129 HZ3 LYS 129 29.170 11.772 -19.486 984 H ASP 130 H ASP 130 26.278 4.726 -18.797 985 HA ASP 130 HA ASP 130 23.644 4.350 -19.797 986 1HB ASP 130 HB2 ASP 130 25.628 3.661 -21.041 987 2HB ASP 130 HB3 ASP 130 26.048 2.491 -19.789 988 H ALA 131 H ALA 131 25.447 2.617 -17.239 989 HA ALA 131 HA ALA 131 23.435 0.701 -16.663 990 1HB ALA 131 HB1 ALA 131 25.515 1.951 -14.825 991 2HB ALA 131 HB2 ALA 131 24.590 0.478 -14.483 992 3HB ALA 131 HB3 ALA 131 25.739 0.510 -15.840 993 H VAL 132 H VAL 132 24.010 3.976 -15.205 994 HA VAL 132 HA VAL 132 21.814 3.847 -13.398 995 HB VAL 132 HB VAL 132 23.337 6.158 -14.673 996 1HG1 VAL 132 HG11 VAL 132 21.093 6.234 -12.635 997 2HG1 VAL 132 HG12 VAL 132 22.290 7.529 -12.766 998 3HG1 VAL 132 HG13 VAL 132 21.230 7.162 -14.139 999 1HG2 VAL 132 HG21 VAL 132 24.560 4.710 -13.007 1000 2HG2 VAL 132 HG22 VAL 132 24.348 6.379 -12.470 1001 3HG2 VAL 132 HG23 VAL 132 23.310 5.098 -11.808 1002 H GLU 133 H GLU 133 22.006 4.990 -16.833 1003 HA GLU 133 HA GLU 133 19.267 5.781 -16.899 1004 1HB GLU 133 HB2 GLU 133 21.009 6.587 -18.427 1005 2HB GLU 133 HB3 GLU 133 21.081 5.001 -19.214 1006 1HG GLU 133 HG2 GLU 133 18.884 5.226 -20.104 1007 2HG GLU 133 HG3 GLU 133 18.443 6.484 -18.949 1008 H THR 134 H THR 134 20.825 2.620 -17.314 1009 HA THR 134 HA THR 134 18.491 1.290 -18.382 1010 HB THR 134 HB THR 134 20.851 0.132 -16.836 1011 HG1 THR 134 HG1 THR 134 21.514 1.262 -18.685 1012 1HG2 THR 134 HG21 THR 134 18.863 -1.142 -18.768 1013 2HG2 THR 134 HG22 THR 134 20.308 -1.937 -18.096 1014 3HG2 THR 134 HG23 THR 134 18.984 -1.463 -17.024 1015 H VAL 135 H VAL 135 19.803 1.719 -15.012 1016 HA VAL 135 HA VAL 135 17.657 0.325 -13.747 1017 HB VAL 135 HB VAL 135 19.510 2.523 -12.738 1018 1HG1 VAL 135 HG11 VAL 135 18.918 1.719 -10.449 1019 2HG1 VAL 135 HG12 VAL 135 17.537 2.458 -11.265 1020 3HG1 VAL 135 HG13 VAL 135 17.650 0.689 -11.152 1021 1HG2 VAL 135 HG21 VAL 135 19.561 -0.505 -12.352 1022 2HG2 VAL 135 HG22 VAL 135 20.640 0.407 -13.417 1023 3HG2 VAL 135 HG23 VAL 135 20.718 0.669 -11.680 1024 H TYR 136 H TYR 136 18.049 3.804 -14.596 1025 HA TYR 136 HA TYR 136 15.642 4.812 -13.601 1026 1HB TYR 136 HB2 TYR 136 17.218 6.341 -14.434 1027 2HB TYR 136 HB3 TYR 136 17.419 5.459 -15.928 1028 HD1 TYR 136 HD1 TYR 136 14.925 7.582 -14.095 1029 HD2 TYR 136 HD2 TYR 136 16.305 6.038 -17.883 1030 HE1 TYR 136 HE1 TYR 136 13.370 9.104 -15.288 1031 HE2 TYR 136 HE2 TYR 136 14.714 7.503 -19.077 1032 HH TYR 136 HH TYR 136 13.049 9.106 -18.873 1033 H GLN 137 H GLN 137 16.166 3.193 -16.809 1034 HA GLN 137 HA GLN 137 13.391 3.363 -17.557 1035 1HB GLN 137 HB2 GLN 137 15.672 1.550 -18.431 1036 2HB GLN 137 HB3 GLN 137 14.058 1.465 -19.143 1037 1HG GLN 137 HG2 GLN 137 14.186 3.676 -20.023 1038 2HG GLN 137 HG3 GLN 137 15.602 4.081 -19.056 1039 1HE2 GLN 137 HE22 GLN 137 17.662 3.213 -19.600 1040 2HE2 GLN 137 HE21 GLN 137 17.992 2.566 -21.204 1041 H ARG 138 H ARG 138 15.296 0.881 -15.850 1042 HA ARG 138 HA ARG 138 13.395 -1.178 -15.871 1043 1HB ARG 138 HB2 ARG 138 15.934 -1.052 -14.990 1044 2HB ARG 138 HB3 ARG 138 15.161 -0.751 -13.446 1045 1HG ARG 138 HG2 ARG 138 15.463 -3.057 -13.472 1046 2HG ARG 138 HG3 ARG 138 13.770 -2.920 -13.910 1047 1HD ARG 138 HD2 ARG 138 14.173 -3.537 -16.152 1048 2HD ARG 138 HD3 ARG 138 15.834 -2.922 -16.123 1049 HE ARG 138 HE ARG 138 15.280 -5.221 -14.378 1050 1HH1 ARG 138 HH11 ARG 138 16.572 -4.240 -17.548 1051 2HH1 ARG 138 HH12 ARG 138 17.663 -5.572 -17.648 1052 1HH2 ARG 138 HH21 ARG 138 16.685 -6.858 -14.467 1053 2HH2 ARG 138 HH22 ARG 138 17.712 -7.164 -15.846 1054 H LEU 139 H LEU 139 13.710 1.536 -13.619 1055 HA LEU 139 HA LEU 139 12.067 0.642 -11.551 1056 1HB LEU 139 HB2 LEU 139 12.565 3.424 -12.645 1057 2HB LEU 139 HB3 LEU 139 11.643 3.161 -11.175 1058 HG LEU 139 HG LEU 139 14.509 2.207 -11.489 1059 1HD1 LEU 139 HD11 LEU 139 15.099 4.223 -10.175 1060 2HD1 LEU 139 HD12 LEU 139 14.395 4.643 -11.745 1061 3HD1 LEU 139 HD13 LEU 139 13.412 4.777 -10.282 1062 1HD2 LEU 139 HD21 LEU 139 14.533 2.109 -9.065 1063 2HD2 LEU 139 HD22 LEU 139 12.847 2.651 -8.988 1064 3HD2 LEU 139 HD23 LEU 139 13.252 1.065 -9.685 1065 H GLU 140 H GLU 140 10.946 1.517 -14.757 1066 HA GLU 140 HA GLU 140 8.235 2.162 -13.900 1067 1HB GLU 140 HB2 GLU 140 9.329 3.090 -15.912 1068 2HB GLU 140 HB3 GLU 140 9.368 1.479 -16.643 1069 1HG GLU 140 HG2 GLU 140 6.901 1.431 -16.676 1070 2HG GLU 140 HG3 GLU 140 6.839 2.968 -15.806 1071 H GLY 141 H GLY 141 9.992 -0.817 -14.585 1072 1HA GLY 141 HA2 GLY 141 7.433 -2.378 -14.563 1073 2HA GLY 141 HA3 GLY 141 8.654 -2.594 -15.820 1074 H TRP 142 H TRP 142 10.368 -1.987 -13.030 1075 HA TRP 142 HA TRP 142 11.379 -4.530 -12.527 1076 1HB TRP 142 HB2 TRP 142 12.411 -2.436 -11.858 1077 2HB TRP 142 HB3 TRP 142 11.072 -2.049 -10.793 1078 HD1 TRP 142 HD1 TRP 142 10.991 -4.581 -8.926 1079 HE1 TRP 142 HE1 TRP 142 12.912 -5.221 -7.416 1080 HE3 TRP 142 HE3 TRP 142 14.654 -1.814 -11.165 1081 HZ2 TRP 142 HZ2 TRP 142 15.683 -4.389 -7.027 1082 HZ3 TRP 142 HZ3 TRP 142 16.903 -1.695 -10.162 1083 HH2 TRP 142 HH2 TRP 142 17.431 -2.975 -8.091 1084 H GLU 143 H GLU 143 10.694 -6.231 -11.380 1085 HA GLU 143 HA GLU 143 8.687 -5.992 -9.250 1086 1HB GLU 143 HB2 GLU 143 8.527 -7.999 -11.554 1087 2HB GLU 143 HB3 GLU 143 7.674 -8.172 -10.017 1088 1HG GLU 143 HG2 GLU 143 6.503 -6.004 -10.438 1089 2HG GLU 143 HG3 GLU 143 7.274 -5.917 -12.024 1090 H GLY 144 H GLY 144 9.133 -7.597 -7.622 1091 1HA GLY 144 HA2 GLY 144 10.527 -8.831 -6.296 1092 2HA GLY 144 HA3 GLY 144 10.825 -9.787 -7.750 1093 H ASN 145 H ASN 145 12.915 -9.992 -8.194 1094 HA ASN 145 HA ASN 145 14.948 -8.326 -6.981 1095 1HB ASN 145 HB2 ASN 145 14.849 -10.962 -7.717 1096 2HB ASN 145 HB3 ASN 145 15.665 -10.294 -9.129 1097 1HD2 ASN 145 HD22 ASN 145 17.921 -10.408 -8.913 1098 2HD2 ASN 145 HD21 ASN 145 18.738 -10.392 -7.367 1099 H GLY 146 H GLY 146 13.067 -7.509 -9.536 1100 1HA GLY 146 HA2 GLY 146 13.278 -5.993 -11.221 1101 2HA GLY 146 HA3 GLY 146 14.923 -5.628 -10.664 1102 H GLY 147 H GLY 147 14.301 -8.981 -11.366 1103 1HA GLY 147 HA2 GLY 147 15.028 -10.390 -13.002 1104 2HA GLY 147 HA3 GLY 147 15.019 -9.032 -14.135 1105 H PHE 148 H PHE 148 17.016 -7.845 -11.784 1106 HA PHE 148 HA PHE 148 19.483 -8.484 -13.149 1107 1HB PHE 148 HB2 PHE 148 18.773 -7.052 -10.564 1108 2HB PHE 148 HB3 PHE 148 20.414 -7.181 -11.190 1109 HD1 PHE 148 HD1 PHE 148 20.689 -6.403 -13.741 1110 HD2 PHE 148 HD2 PHE 148 17.537 -5.100 -11.087 1111 HE1 PHE 148 HE1 PHE 148 20.379 -4.348 -15.103 1112 HE2 PHE 148 HE2 PHE 148 17.346 -2.993 -12.363 1113 HZ PHE 148 HZ PHE 148 18.727 -2.624 -14.402 1114 H ALA 149 H ALA 149 21.252 -9.497 -12.078 1115 HA ALA 149 HA ALA 149 20.542 -11.895 -10.517 1116 1HB ALA 149 HB1 ALA 149 22.202 -12.121 -12.322 1117 2HB ALA 149 HB2 ALA 149 23.213 -10.856 -11.590 1118 3HB ALA 149 HB3 ALA 149 22.976 -12.402 -10.750 1119 H GLN 150 H GLN 150 21.423 -12.302 -8.478 1120 HA GLN 150 HA GLN 150 21.874 -9.909 -6.810 1121 1HB GLN 150 HB2 GLN 150 20.003 -11.697 -6.456 1122 2HB GLN 150 HB3 GLN 150 21.278 -12.731 -5.832 1123 1HG GLN 150 HG2 GLN 150 20.626 -9.940 -4.782 1124 2HG GLN 150 HG3 GLN 150 19.919 -11.417 -4.140 1125 1HE2 GLN 150 HE22 GLN 150 22.774 -9.384 -4.208 1126 2HE2 GLN 150 HE21 GLN 150 23.807 -10.444 -3.270 1127 H LEU 151 H LEU 151 23.919 -9.471 -6.228 1128 HA LEU 151 HA LEU 151 26.173 -10.891 -7.086 1129 1HB LEU 151 HB2 LEU 151 26.114 -8.479 -6.525 1130 2HB LEU 151 HB3 LEU 151 25.834 -8.871 -4.834 1131 HG LEU 151 HG LEU 151 28.078 -9.893 -4.674 1132 1HD1 LEU 151 HD11 LEU 151 28.405 -10.696 -6.997 1133 2HD1 LEU 151 HD12 LEU 151 28.433 -9.019 -7.580 1134 3HD1 LEU 151 HD13 LEU 151 29.716 -9.623 -6.514 1135 1HD2 LEU 151 HD21 LEU 151 29.352 -7.758 -4.988 1136 2HD2 LEU 151 HD22 LEU 151 27.971 -7.110 -5.902 1137 3HD2 LEU 151 HD23 LEU 151 27.786 -7.515 -4.190 1138 H ALA 152 H ALA 152 27.206 -12.608 -6.259 1139 HA ALA 152 HA ALA 152 26.890 -13.320 -3.372 1140 1HB ALA 152 HB1 ALA 152 26.730 -15.684 -4.092 1141 2HB ALA 152 HB2 ALA 152 25.394 -14.720 -4.755 1142 3HB ALA 152 HB3 ALA 152 26.769 -15.173 -5.795 1143 H VAL 153 H VAL 153 28.748 -13.975 -6.353 1144 HA VAL 153 HA VAL 153 31.269 -14.001 -4.883 1145 HB VAL 153 HB VAL 153 30.117 -16.206 -4.478 1146 1HG1 VAL 153 HG11 VAL 153 29.977 -17.894 -6.209 1147 2HG1 VAL 153 HG12 VAL 153 29.011 -16.486 -6.667 1148 3HG1 VAL 153 HG13 VAL 153 30.594 -16.761 -7.427 1149 1HG2 VAL 153 HG21 VAL 153 32.572 -16.011 -4.294 1150 2HG2 VAL 153 HG22 VAL 153 31.996 -17.630 -4.720 1151 3HG2 VAL 153 HG23 VAL 153 32.720 -16.602 -5.965 1152 H GLU 154 H GLU 154 29.632 -13.150 -7.645 1153 HA GLU 154 HA GLU 154 31.185 -14.150 -9.707 1154 1HB GLU 154 HB2 GLU 154 29.655 -11.513 -9.642 1155 2HB GLU 154 HB3 GLU 154 30.213 -12.361 -11.083 1156 1HG GLU 154 HG2 GLU 154 28.083 -13.080 -11.094 1157 2HG GLU 154 HG3 GLU 154 28.746 -14.360 -10.074 1158 H GLU 155 H GLU 155 32.708 -13.108 -11.138 1159 HA GLU 155 HA GLU 155 33.892 -10.571 -10.459 1160 1HB GLU 155 HB2 GLU 155 36.215 -11.400 -10.616 1161 2HB GLU 155 HB3 GLU 155 35.385 -11.901 -9.147 1162 1HG GLU 155 HG2 GLU 155 35.033 -14.167 -10.086 1163 2HG GLU 155 HG3 GLU 155 35.834 -13.678 -11.583 1164 H GLU 156 H GLU 156 34.677 -9.612 -12.425 1165 HA GLU 156 HA GLU 156 34.527 -11.147 -14.926 1166 1HB GLU 156 HB2 GLU 156 32.658 -8.815 -14.288 1167 2HB GLU 156 HB3 GLU 156 33.042 -9.352 -15.918 1168 1HG GLU 156 HG2 GLU 156 32.136 -11.616 -15.370 1169 2HG GLU 156 HG3 GLU 156 31.655 -11.017 -13.781 Start of MODEL 10 1 1H MET 1 H1 MET 1 0.310 0.216 1.778 2 2H MET 1 H2 MET 1 0.605 0.867 0.303 3 3H MET 1 H3 MET 1 1.853 0.366 1.243 4 HA MET 1 HA MET 1 0.005 2.555 1.859 5 1HB MET 1 HB2 MET 1 0.881 1.380 3.871 6 2HB MET 1 HB3 MET 1 2.528 1.810 3.395 7 1HG MET 1 HG2 MET 1 1.983 4.192 3.554 8 2HG MET 1 HG3 MET 1 0.292 3.814 3.892 9 1HE MET 1 HE1 MET 1 1.784 5.399 7.208 10 2HE MET 1 HE2 MET 1 2.345 5.748 5.558 11 3HE MET 1 HE3 MET 1 0.602 5.601 5.894 12 H THR 2 H THR 2 3.607 2.058 1.288 13 HA THR 2 HA THR 2 3.512 4.237 -0.696 14 HB THR 2 HB THR 2 5.553 4.387 1.537 15 HG1 THR 2 HG1 THR 2 4.340 5.457 2.822 16 1HG2 THR 2 HG21 THR 2 6.031 5.793 -0.371 17 2HG2 THR 2 HG22 THR 2 4.371 6.432 -0.386 18 3HG2 THR 2 HG23 THR 2 5.477 6.836 0.939 19 H ASP 3 H ASP 3 5.628 4.308 -1.916 20 HA ASP 3 HA ASP 3 7.370 1.925 -1.626 21 1HB ASP 3 HB2 ASP 3 5.755 1.359 -3.389 22 2HB ASP 3 HB3 ASP 3 6.020 2.922 -4.171 23 H VAL 4 H VAL 4 9.553 2.594 -1.961 24 HA VAL 4 HA VAL 4 9.946 5.481 -2.602 25 HB VAL 4 HB VAL 4 10.848 4.062 -0.061 26 1HG1 VAL 4 HG11 VAL 4 11.595 6.287 0.712 27 2HG1 VAL 4 HG12 VAL 4 12.494 5.796 -0.715 28 3HG1 VAL 4 HG13 VAL 4 11.180 6.985 -0.864 29 1HG2 VAL 4 HG21 VAL 4 8.488 4.551 0.169 30 2HG2 VAL 4 HG22 VAL 4 9.357 5.803 1.058 31 3HG2 VAL 4 HG23 VAL 4 8.693 6.163 -0.534 32 H LEU 5 H LEU 5 12.053 6.066 -3.154 33 HA LEU 5 HA LEU 5 13.976 3.888 -3.821 34 1HB LEU 5 HB2 LEU 5 12.942 4.558 -5.904 35 2HB LEU 5 HB3 LEU 5 13.032 6.266 -5.462 36 HG LEU 5 HG LEU 5 15.529 6.170 -5.606 37 1HD1 LEU 5 HD11 LEU 5 16.586 4.245 -6.748 38 2HD1 LEU 5 HD12 LEU 5 15.911 3.759 -5.195 39 3HD1 LEU 5 HD13 LEU 5 15.048 3.356 -6.694 40 1HD2 LEU 5 HD21 LEU 5 15.598 6.086 -8.061 41 2HD2 LEU 5 HD22 LEU 5 14.018 5.266 -8.083 42 3HD2 LEU 5 HD23 LEU 5 14.158 6.935 -7.493 43 H LEU 6 H LEU 6 15.943 4.348 -2.888 44 HA LEU 6 HA LEU 6 16.465 7.109 -1.879 45 1HB LEU 6 HB2 LEU 6 16.135 5.606 -0.024 46 2HB LEU 6 HB3 LEU 6 17.196 4.397 -0.759 47 HG LEU 6 HG LEU 6 19.137 5.955 -0.479 48 1HD1 LEU 6 HD11 LEU 6 17.119 7.702 0.959 49 2HD1 LEU 6 HD12 LEU 6 18.882 7.926 1.009 50 3HD1 LEU 6 HD13 LEU 6 18.018 8.113 -0.519 51 1HD2 LEU 6 HD21 LEU 6 19.292 5.740 1.985 52 2HD2 LEU 6 HD22 LEU 6 17.576 5.275 2.025 53 3HD2 LEU 6 HD23 LEU 6 18.749 4.259 1.193 54 H CYS 7 H CYS 7 17.636 7.943 -3.493 55 HA CYS 7 HA CYS 7 19.850 6.490 -4.758 56 1HB CYS 7 HB2 CYS 7 18.840 9.370 -4.749 57 2HB CYS 7 HB3 CYS 7 20.242 8.832 -5.671 58 HG CYS 7 HG CYS 7 18.212 8.955 -7.310 59 H VAL 8 H VAL 8 21.997 6.612 -4.139 60 HA VAL 8 HA VAL 8 22.820 8.465 -1.978 61 HB VAL 8 HB VAL 8 23.421 5.474 -2.133 62 1HG1 VAL 8 HG11 VAL 8 24.183 7.517 -0.016 63 2HG1 VAL 8 HG12 VAL 8 24.477 5.762 0.074 64 3HG1 VAL 8 HG13 VAL 8 25.295 6.723 -1.150 65 1HG2 VAL 8 HG21 VAL 8 22.155 5.311 0.027 66 2HG2 VAL 8 HG22 VAL 8 21.554 6.961 -0.271 67 3HG2 VAL 8 HG23 VAL 8 21.173 5.639 -1.398 68 H GLY 9 H GLY 9 24.949 9.223 -2.309 69 1HA GLY 9 HA2 GLY 9 27.161 8.320 -3.401 70 2HA GLY 9 HA3 GLY 9 26.232 8.542 -4.888 71 H ASN 10 H ASN 10 28.519 9.960 -4.720 72 HA ASN 10 HA ASN 10 27.655 12.770 -4.126 73 1HB ASN 10 HB2 ASN 10 29.532 12.020 -2.746 74 2HB ASN 10 HB3 ASN 10 30.419 11.516 -4.168 75 1HD2 ASN 10 HD22 ASN 10 30.171 13.978 -1.946 76 2HD2 ASN 10 HD21 ASN 10 30.861 15.268 -2.909 77 H SER 11 H SER 11 27.215 13.909 -5.877 78 HA SER 11 HA SER 11 27.206 12.964 -8.423 79 1HB SER 11 HB2 SER 11 27.320 15.914 -7.757 80 2HB SER 11 HB3 SER 11 26.310 15.090 -8.957 81 HG SER 11 HG SER 11 25.148 15.707 -7.062 82 H MET 12 H MET 12 30.056 14.286 -6.918 83 HA MET 12 HA MET 12 31.294 14.739 -9.591 84 1HB MET 12 HB2 MET 12 32.505 16.633 -8.714 85 2HB MET 12 HB3 MET 12 30.774 16.907 -8.562 86 1HG MET 12 HG2 MET 12 30.835 16.381 -6.187 87 2HG MET 12 HG3 MET 12 32.541 15.936 -6.271 88 1HE MET 12 HE1 MET 12 34.528 17.566 -6.217 89 2HE MET 12 HE2 MET 12 34.056 18.127 -7.841 90 3HE MET 12 HE3 MET 12 34.408 19.304 -6.560 91 H MET 13 H MET 13 31.239 12.468 -7.395 92 HA MET 13 HA MET 13 34.146 12.373 -6.915 93 1HB MET 13 HB2 MET 13 32.592 12.317 -4.992 94 2HB MET 13 HB3 MET 13 32.003 10.757 -5.559 95 1HG MET 13 HG2 MET 13 34.348 9.873 -5.326 96 2HG MET 13 HG3 MET 13 34.834 11.461 -4.718 97 1HE MET 13 HE1 MET 13 35.066 9.211 -1.584 98 2HE MET 13 HE2 MET 13 35.405 8.753 -3.272 99 3HE MET 13 HE3 MET 13 35.883 10.359 -2.675 100 H GLY 14 H GLY 14 33.031 11.876 -9.594 101 1HA GLY 14 HA2 GLY 14 33.653 10.455 -11.278 102 2HA GLY 14 HA3 GLY 14 34.241 9.281 -10.099 103 H ASP 15 H ASP 15 33.198 7.503 -10.835 104 HA ASP 15 HA ASP 15 30.507 7.265 -11.715 105 1HB ASP 15 HB2 ASP 15 32.434 5.256 -10.503 106 2HB ASP 15 HB3 ASP 15 30.864 4.813 -11.153 107 H ASP 16 H ASP 16 31.766 7.676 -8.536 108 HA ASP 16 HA ASP 16 29.903 6.332 -6.919 109 1HB ASP 16 HB2 ASP 16 32.049 7.444 -6.239 110 2HB ASP 16 HB3 ASP 16 31.233 8.998 -6.437 111 H GLY 17 H GLY 17 29.435 9.157 -8.954 112 1HA GLY 17 HA2 GLY 17 27.189 10.293 -7.552 113 2HA GLY 17 HA3 GLY 17 27.684 10.613 -9.218 114 H ALA 18 H ALA 18 26.931 7.271 -8.196 115 HA ALA 18 HA ALA 18 25.297 6.927 -10.506 116 1HB ALA 18 HB1 ALA 18 25.649 5.219 -8.025 117 2HB ALA 18 HB2 ALA 18 24.830 4.700 -9.511 118 3HB ALA 18 HB3 ALA 18 26.562 5.090 -9.547 119 H GLY 19 H GLY 19 24.407 7.010 -7.005 120 1HA GLY 19 HA2 GLY 19 21.597 6.932 -7.382 121 2HA GLY 19 HA3 GLY 19 22.448 7.585 -5.978 122 HA PRO 20 HA PRO 20 21.807 11.803 -7.121 123 1HB PRO 20 HB2 PRO 20 24.570 12.069 -8.345 124 2HB PRO 20 HB3 PRO 20 23.662 13.248 -7.342 125 1HG PRO 20 HG2 PRO 20 25.530 11.630 -6.207 126 2HG PRO 20 HG3 PRO 20 23.979 11.935 -5.369 127 1HD PRO 20 HD2 PRO 20 24.854 9.490 -6.858 128 2HD PRO 20 HD3 PRO 20 23.781 9.644 -5.444 129 H LEU 21 H LEU 21 23.441 10.118 -9.968 130 HA LEU 21 HA LEU 21 22.119 11.888 -11.826 131 1HB LEU 21 HB2 LEU 21 24.207 10.727 -12.380 132 2HB LEU 21 HB3 LEU 21 23.419 9.164 -12.179 133 HG LEU 21 HG LEU 21 21.910 9.675 -14.102 134 1HD1 LEU 21 HD11 LEU 21 22.489 11.643 -15.576 135 2HD1 LEU 21 HD12 LEU 21 21.785 12.110 -14.026 136 3HD1 LEU 21 HD13 LEU 21 23.539 12.248 -14.278 137 1HD2 LEU 21 HD21 LEU 21 23.599 9.492 -15.871 138 2HD2 LEU 21 HD22 LEU 21 24.858 10.025 -14.735 139 3HD2 LEU 21 HD23 LEU 21 24.015 8.484 -14.478 140 H LEU 22 H LEU 22 21.346 8.695 -10.376 141 HA LEU 22 HA LEU 22 19.045 8.190 -11.990 142 1HB LEU 22 HB2 LEU 22 20.139 6.456 -10.591 143 2HB LEU 22 HB3 LEU 22 19.694 7.328 -9.135 144 HG LEU 22 HG LEU 22 17.315 7.010 -9.599 145 1HD1 LEU 22 HD11 LEU 22 16.648 5.366 -11.417 146 2HD1 LEU 22 HD12 LEU 22 17.241 6.901 -12.040 147 3HD1 LEU 22 HD13 LEU 22 18.298 5.468 -12.057 148 1HD2 LEU 22 HD21 LEU 22 17.232 4.572 -9.204 149 2HD2 LEU 22 HD22 LEU 22 18.910 4.416 -9.764 150 3HD2 LEU 22 HD23 LEU 22 18.542 5.321 -8.278 151 H ALA 23 H ALA 23 19.438 9.813 -8.819 152 HA ALA 23 HA ALA 23 16.718 10.527 -8.403 153 1HB ALA 23 HB1 ALA 23 17.634 12.298 -6.903 154 2HB ALA 23 HB2 ALA 23 18.394 10.740 -6.589 155 3HB ALA 23 HB3 ALA 23 19.265 11.978 -7.517 156 H GLU 24 H GLU 24 19.312 12.254 -10.228 157 HA GLU 24 HA GLU 24 17.795 14.597 -10.762 158 1HB GLU 24 HB2 GLU 24 20.182 14.570 -11.117 159 2HB GLU 24 HB3 GLU 24 20.075 13.201 -12.208 160 1HG GLU 24 HG2 GLU 24 20.511 15.220 -13.458 161 2HG GLU 24 HG3 GLU 24 18.969 14.513 -13.913 162 H LYS 25 H LYS 25 18.179 11.573 -12.617 163 HA LYS 25 HA LYS 25 16.442 12.300 -14.770 164 1HB LYS 25 HB2 LYS 25 17.384 9.658 -13.604 165 2HB LYS 25 HB3 LYS 25 16.338 9.736 -15.039 166 1HG LYS 25 HG2 LYS 25 17.992 10.964 -16.289 167 2HG LYS 25 HG3 LYS 25 19.030 11.150 -14.866 168 1HD LYS 25 HD2 LYS 25 19.333 8.703 -14.735 169 2HD LYS 25 HD3 LYS 25 18.322 8.475 -16.168 170 1HE LYS 25 HE2 LYS 25 20.882 10.144 -16.114 171 2HE LYS 25 HE3 LYS 25 20.839 8.432 -16.557 172 1HZ LYS 25 HZ1 LYS 25 20.757 9.854 -18.507 173 2HZ LYS 25 HZ2 LYS 25 19.403 8.945 -18.387 174 3HZ LYS 25 HZ3 LYS 25 19.364 10.550 -18.011 175 H CYS 26 H CYS 26 15.758 10.481 -11.721 176 HA CYS 26 HA CYS 26 12.985 10.109 -12.310 177 1HB CYS 26 HB2 CYS 26 14.367 10.265 -9.593 178 2HB CYS 26 HB3 CYS 26 12.735 9.647 -9.917 179 HG CYS 26 HG CYS 26 15.649 8.543 -10.993 180 H ALA 27 H ALA 27 14.709 12.805 -10.621 181 HA ALA 27 HA ALA 27 12.359 14.178 -9.859 182 1HB ALA 27 HB1 ALA 27 13.835 16.147 -9.644 183 2HB ALA 27 HB2 ALA 27 14.573 14.702 -8.930 184 3HB ALA 27 HB3 ALA 27 15.122 15.291 -10.518 185 H ALA 28 H ALA 28 14.262 14.248 -12.917 186 HA ALA 28 HA ALA 28 12.811 16.396 -14.097 187 1HB ALA 28 HB1 ALA 28 14.402 14.147 -15.404 188 2HB ALA 28 HB2 ALA 28 13.898 15.659 -16.180 189 3HB ALA 28 HB3 ALA 28 15.062 15.700 -14.841 190 H ALA 29 H ALA 29 12.396 12.871 -14.091 191 HA ALA 29 HA ALA 29 9.656 13.035 -15.160 192 1HB ALA 29 HB1 ALA 29 10.303 11.391 -16.976 193 2HB ALA 29 HB2 ALA 29 10.907 13.045 -17.210 194 3HB ALA 29 HB3 ALA 29 12.007 11.787 -16.625 195 HA PRO 30 HA PRO 30 10.212 9.909 -11.820 196 1HB PRO 30 HB2 PRO 30 7.207 10.177 -11.957 197 2HB PRO 30 HB3 PRO 30 8.261 10.024 -10.514 198 1HG PRO 30 HG2 PRO 30 7.278 12.445 -11.239 199 2HG PRO 30 HG3 PRO 30 8.988 12.290 -10.716 200 1HD PRO 30 HD2 PRO 30 7.890 12.462 -13.531 201 2HD PRO 30 HD3 PRO 30 9.322 13.269 -12.816 202 H LYS 31 H LYS 31 9.467 7.677 -11.569 203 HA LYS 31 HA LYS 31 8.186 6.361 -13.886 204 1HB LYS 31 HB2 LYS 31 10.866 5.584 -12.617 205 2HB LYS 31 HB3 LYS 31 9.953 4.519 -13.660 206 1HG LYS 31 HG2 LYS 31 11.194 7.182 -14.481 207 2HG LYS 31 HG3 LYS 31 11.766 5.564 -14.885 208 1HD LYS 31 HD2 LYS 31 9.473 5.206 -16.023 209 2HD LYS 31 HD3 LYS 31 9.249 6.949 -15.877 210 1HE LYS 31 HE2 LYS 31 11.366 7.317 -17.135 211 2HE LYS 31 HE3 LYS 31 11.561 5.565 -17.294 212 1HZ LYS 31 HZ1 LYS 31 10.546 6.434 -19.270 213 2HZ LYS 31 HZ2 LYS 31 9.407 5.544 -18.485 214 3HZ LYS 31 HZ3 LYS 31 9.359 7.182 -18.436 215 H GLY 32 H GLY 32 7.631 4.060 -13.232 216 1HA GLY 32 HA2 GLY 32 6.286 2.763 -11.897 217 2HA GLY 32 HA3 GLY 32 7.621 2.920 -10.758 218 H ASN 33 H ASN 33 6.816 3.344 -8.811 219 HA ASN 33 HA ASN 33 4.916 5.604 -8.431 220 1HB ASN 33 HB2 ASN 33 3.697 3.387 -8.401 221 2HB ASN 33 HB3 ASN 33 4.712 2.902 -7.041 222 1HD2 ASN 33 HD22 ASN 33 3.319 2.921 -5.259 223 2HD2 ASN 33 HD21 ASN 33 2.273 4.252 -4.844 224 H TRP 34 H TRP 34 7.969 4.807 -7.944 225 HA TRP 34 HA TRP 34 8.278 4.698 -5.117 226 1HB TRP 34 HB2 TRP 34 10.546 5.639 -6.833 227 2HB TRP 34 HB3 TRP 34 10.524 4.497 -5.509 228 HD1 TRP 34 HD1 TRP 34 9.564 4.748 -9.218 229 HE1 TRP 34 HE1 TRP 34 9.793 2.457 -10.357 230 HE3 TRP 34 HE3 TRP 34 11.013 1.951 -5.162 231 HZ2 TRP 34 HZ2 TRP 34 10.853 -0.067 -9.710 232 HZ3 TRP 34 HZ3 TRP 34 11.724 -0.398 -5.491 233 HH2 TRP 34 HH2 TRP 34 11.680 -1.428 -7.754 234 H VAL 35 H VAL 35 8.192 6.399 -3.702 235 HA VAL 35 HA VAL 35 8.281 9.176 -4.575 236 HB VAL 35 HB VAL 35 8.626 7.977 -1.786 237 1HG1 VAL 35 HG11 VAL 35 7.954 10.236 -0.996 238 2HG1 VAL 35 HG12 VAL 35 9.466 10.283 -1.906 239 3HG1 VAL 35 HG13 VAL 35 7.953 10.817 -2.674 240 1HG2 VAL 35 HG21 VAL 35 6.243 8.585 -1.430 241 2HG2 VAL 35 HG22 VAL 35 6.110 9.049 -3.141 242 3HG2 VAL 35 HG23 VAL 35 6.412 7.360 -2.687 243 H VAL 36 H VAL 36 10.177 10.229 -5.066 244 HA VAL 36 HA VAL 36 12.679 8.754 -4.908 245 HB VAL 36 HB VAL 36 12.196 11.637 -5.774 246 1HG1 VAL 36 HG11 VAL 36 14.241 11.300 -7.140 247 2HG1 VAL 36 HG12 VAL 36 14.586 11.083 -5.424 248 3HG1 VAL 36 HG13 VAL 36 14.423 9.661 -6.477 249 1HG2 VAL 36 HG21 VAL 36 12.138 9.124 -7.504 250 2HG2 VAL 36 HG22 VAL 36 10.744 10.164 -7.139 251 3HG2 VAL 36 HG23 VAL 36 12.074 10.810 -8.085 252 H ILE 37 H ILE 37 14.238 8.973 -3.382 253 HA ILE 37 HA ILE 37 14.369 11.385 -1.673 254 HB ILE 37 HB ILE 37 14.843 8.494 -0.810 255 1HG1 ILE 37 HG12 ILE 37 12.418 9.112 -0.873 256 2HG1 ILE 37 HG13 ILE 37 13.038 8.610 0.686 257 1HG2 ILE 37 HG21 ILE 37 15.262 9.464 1.464 258 2HG2 ILE 37 HG22 ILE 37 16.481 9.924 0.280 259 3HG2 ILE 37 HG23 ILE 37 15.231 11.083 0.744 260 1HD1 ILE 37 HD11 ILE 37 11.435 10.495 0.836 261 2HD1 ILE 37 HD12 ILE 37 13.002 10.895 1.533 262 3HD1 ILE 37 HD13 ILE 37 12.559 11.519 -0.079 263 H ASP 38 H ASP 38 16.521 11.988 -1.365 264 HA ASP 38 HA ASP 38 18.669 10.498 -2.790 265 1HB ASP 38 HB2 ASP 38 18.107 12.143 -4.411 266 2HB ASP 38 HB3 ASP 38 17.985 13.417 -3.190 267 H GLY 39 H GLY 39 19.913 9.954 -1.099 268 1HA GLY 39 HA2 GLY 39 20.048 11.616 1.336 269 2HA GLY 39 HA3 GLY 39 20.755 10.016 1.058 270 H GLY 40 H GLY 40 21.643 11.725 -1.670 271 1HA GLY 40 HA2 GLY 40 23.718 12.399 -2.365 272 2HA GLY 40 HA3 GLY 40 23.872 13.278 -0.828 273 H SER 41 H SER 41 26.052 12.645 -0.448 274 HA SER 41 HA SER 41 26.669 9.792 -0.263 275 1HB SER 41 HB2 SER 41 28.990 10.832 0.302 276 2HB SER 41 HB3 SER 41 28.320 10.901 -1.325 277 HG SER 41 HG SER 41 28.476 12.998 0.574 278 H ALA 42 H ALA 42 24.805 11.403 1.727 279 HA ALA 42 HA ALA 42 25.963 10.274 4.199 280 1HB ALA 42 HB1 ALA 42 26.741 12.608 4.147 281 2HB ALA 42 HB2 ALA 42 25.070 13.175 3.906 282 3HB ALA 42 HB3 ALA 42 25.533 12.370 5.421 283 HA PRO 43 HA PRO 43 21.372 9.845 3.256 284 1HB PRO 43 HB2 PRO 43 21.072 7.155 3.040 285 2HB PRO 43 HB3 PRO 43 21.772 8.126 1.716 286 1HG PRO 43 HG2 PRO 43 23.295 6.619 3.877 287 2HG PRO 43 HG3 PRO 43 23.496 6.479 2.107 288 1HD PRO 43 HD2 PRO 43 25.076 8.138 3.566 289 2HD PRO 43 HD3 PRO 43 24.467 8.650 1.964 290 H GLU 44 H GLU 44 23.435 8.389 5.730 291 HA GLU 44 HA GLU 44 21.423 7.168 7.304 292 1HB GLU 44 HB2 GLU 44 23.032 6.969 9.000 293 2HB GLU 44 HB3 GLU 44 23.835 6.714 7.454 294 1HG GLU 44 HG2 GLU 44 23.980 9.156 9.246 295 2HG GLU 44 HG3 GLU 44 25.268 7.996 8.926 296 H ASN 45 H ASN 45 22.610 10.511 7.264 297 HA ASN 45 HA ASN 45 21.109 11.442 9.486 298 1HB ASN 45 HB2 ASN 45 22.508 12.695 7.131 299 2HB ASN 45 HB3 ASN 45 21.302 13.674 7.943 300 1HD2 ASN 45 HD22 ASN 45 24.359 11.893 8.485 301 2HD2 ASN 45 HD21 ASN 45 24.786 12.779 9.941 302 H ASP 46 H ASP 46 19.877 10.301 6.488 303 HA ASP 46 HA ASP 46 17.477 12.043 6.678 304 1HB ASP 46 HB2 ASP 46 19.069 12.021 4.610 305 2HB ASP 46 HB3 ASP 46 18.311 10.468 4.240 306 H ILE 47 H ILE 47 18.446 8.972 7.521 307 HA ILE 47 HA ILE 47 16.447 7.202 6.756 308 HB ILE 47 HB ILE 47 18.013 7.583 9.322 309 1HG1 ILE 47 HG12 ILE 47 18.132 5.445 7.141 310 2HG1 ILE 47 HG13 ILE 47 19.133 6.891 7.161 311 1HG2 ILE 47 HG21 ILE 47 16.202 5.199 8.774 312 2HG2 ILE 47 HG22 ILE 47 17.326 5.374 10.131 313 3HG2 ILE 47 HG23 ILE 47 15.937 6.436 10.022 314 1HD1 ILE 47 HD11 ILE 47 20.064 6.158 9.391 315 2HD1 ILE 47 HD12 ILE 47 19.215 4.608 9.164 316 3HD1 ILE 47 HD13 ILE 47 20.465 5.112 8.021 317 H VAL 48 H VAL 48 16.211 9.765 9.254 318 HA VAL 48 HA VAL 48 13.716 9.044 10.318 319 HB VAL 48 HB VAL 48 14.822 11.860 9.915 320 1HG1 VAL 48 HG11 VAL 48 13.547 12.401 11.967 321 2HG1 VAL 48 HG12 VAL 48 12.475 11.851 10.675 322 3HG1 VAL 48 HG13 VAL 48 12.895 10.748 12.005 323 1HG2 VAL 48 HG21 VAL 48 15.792 11.586 12.208 324 2HG2 VAL 48 HG22 VAL 48 15.366 9.863 12.156 325 3HG2 VAL 48 HG23 VAL 48 16.558 10.539 11.021 326 H ALA 49 H ALA 49 14.471 10.967 7.366 327 HA ALA 49 HA ALA 49 11.787 11.836 6.916 328 1HB ALA 49 HB1 ALA 49 14.080 11.484 4.934 329 2HB ALA 49 HB2 ALA 49 12.618 12.443 4.676 330 3HB ALA 49 HB3 ALA 49 13.792 12.943 5.917 331 H ILE 50 H ILE 50 13.710 9.048 5.860 332 HA ILE 50 HA ILE 50 11.787 7.978 4.010 333 HB ILE 50 HB ILE 50 13.938 6.538 5.617 334 1HG1 ILE 50 HG12 ILE 50 14.151 7.644 2.780 335 2HG1 ILE 50 HG13 ILE 50 14.808 8.460 4.196 336 1HG2 ILE 50 HG21 ILE 50 12.260 4.997 4.626 337 2HG2 ILE 50 HG22 ILE 50 12.541 5.720 3.028 338 3HG2 ILE 50 HG23 ILE 50 13.824 4.814 3.857 339 1HD1 ILE 50 HD11 ILE 50 16.607 7.299 3.194 340 2HD1 ILE 50 HD12 ILE 50 16.213 6.445 4.689 341 3HD1 ILE 50 HD13 ILE 50 15.694 5.779 3.123 342 H ARG 51 H ARG 51 12.418 7.467 7.526 343 HA ARG 51 HA ARG 51 10.438 5.412 7.801 344 1HB ARG 51 HB2 ARG 51 11.742 7.229 9.867 345 2HB ARG 51 HB3 ARG 51 10.601 5.936 10.275 346 1HG ARG 51 HG2 ARG 51 12.069 4.262 9.167 347 2HG ARG 51 HG3 ARG 51 13.203 5.544 8.752 348 1HD ARG 51 HD2 ARG 51 14.135 4.476 10.613 349 2HD ARG 51 HD3 ARG 51 13.500 6.000 11.218 350 HE ARG 51 HE ARG 51 11.542 4.769 12.083 351 1HH1 ARG 51 HH11 ARG 51 14.437 2.767 11.392 352 2HH1 ARG 51 HH12 ARG 51 14.088 1.625 12.648 353 1HH2 ARG 51 HH21 ARG 51 11.064 3.165 13.656 354 2HH2 ARG 51 HH22 ARG 51 12.130 1.829 13.886 355 H GLU 52 H GLU 52 10.120 8.981 7.984 356 HA GLU 52 HA GLU 52 7.487 9.039 9.009 357 1HB GLU 52 HB2 GLU 52 8.849 10.819 6.948 358 2HB GLU 52 HB3 GLU 52 7.241 11.145 7.568 359 1HG GLU 52 HG2 GLU 52 9.716 10.954 9.322 360 2HG GLU 52 HG3 GLU 52 9.062 12.444 8.657 361 H LEU 53 H LEU 53 8.605 8.160 5.721 362 HA LEU 53 HA LEU 53 5.959 8.277 4.588 363 1HB LEU 53 HB2 LEU 53 8.427 6.864 3.513 364 2HB LEU 53 HB3 LEU 53 6.974 7.276 2.623 365 HG LEU 53 HG LEU 53 9.066 9.184 3.707 366 1HD1 LEU 53 HD11 LEU 53 9.675 8.101 1.628 367 2HD1 LEU 53 HD12 LEU 53 8.109 8.526 0.896 368 3HD1 LEU 53 HD13 LEU 53 9.280 9.795 1.309 369 1HD2 LEU 53 HD21 LEU 53 7.745 11.028 2.674 370 2HD2 LEU 53 HD22 LEU 53 6.393 9.896 2.432 371 3HD2 LEU 53 HD23 LEU 53 6.951 10.319 4.073 372 H ARG 54 H ARG 54 7.307 6.083 6.731 373 HA ARG 54 HA ARG 54 7.331 3.828 7.031 374 1HB ARG 54 HB2 ARG 54 4.350 4.357 6.887 375 2HB ARG 54 HB3 ARG 54 5.132 2.956 7.631 376 1HG ARG 54 HG2 ARG 54 6.417 4.653 9.111 377 2HG ARG 54 HG3 ARG 54 5.284 5.868 8.502 378 1HD ARG 54 HD2 ARG 54 4.432 5.080 10.594 379 2HD ARG 54 HD3 ARG 54 3.395 4.402 9.323 380 HE ARG 54 HE ARG 54 5.617 2.659 10.043 381 1HH1 ARG 54 HH21 ARG 54 2.333 3.619 11.052 382 2HH1 ARG 54 HH22 ARG 54 2.005 2.145 11.883 383 1HH2 ARG 54 HH11 ARG 54 5.203 0.735 11.156 384 2HH2 ARG 54 HH12 ARG 54 3.676 0.451 11.945 385 HA PRO 55 HA PRO 55 6.803 3.021 2.467 386 1HB PRO 55 HB2 PRO 55 9.420 1.604 2.815 387 2HB PRO 55 HB3 PRO 55 8.907 2.725 1.529 388 1HG PRO 55 HG2 PRO 55 10.616 3.526 3.502 389 2HG PRO 55 HG3 PRO 55 9.354 4.619 2.874 390 1HD PRO 55 HD2 PRO 55 9.306 3.029 5.420 391 2HD PRO 55 HD3 PRO 55 8.781 4.694 5.097 392 H THR 56 H THR 56 5.903 1.170 1.541 393 HA THR 56 HA THR 56 5.740 -1.298 3.112 394 HB THR 56 HB THR 56 4.763 -0.725 0.285 395 HG1 THR 56 HG1 THR 56 3.633 -0.114 2.808 396 1HG2 THR 56 HG21 THR 56 4.611 -3.090 0.976 397 2HG2 THR 56 HG22 THR 56 3.734 -2.613 2.447 398 3HG2 THR 56 HG23 THR 56 3.004 -2.355 0.846 399 H ARG 57 H ARG 57 7.529 0.089 0.385 400 HA ARG 57 HA ARG 57 9.447 -2.136 0.487 401 1HB ARG 57 HB2 ARG 57 7.954 -2.746 -1.361 402 2HB ARG 57 HB3 ARG 57 8.096 -1.124 -2.050 403 1HG ARG 57 HG2 ARG 57 10.536 -1.551 -2.483 404 2HG ARG 57 HG3 ARG 57 10.343 -3.165 -1.781 405 1HD ARG 57 HD2 ARG 57 10.295 -3.372 -4.164 406 2HD ARG 57 HD3 ARG 57 8.639 -3.641 -3.589 407 HE ARG 57 HE ARG 57 8.918 -0.871 -4.194 408 1HH1 ARG 57 HH21 ARG 57 8.883 -3.968 -5.955 409 2HH1 ARG 57 HH22 ARG 57 8.277 -3.273 -7.416 410 1HH2 ARG 57 HH11 ARG 57 8.194 0.048 -6.131 411 2HH2 ARG 57 HH12 ARG 57 7.932 -0.935 -7.536 412 H LEU 58 H LEU 58 11.525 -1.433 -0.108 413 HA LEU 58 HA LEU 58 11.898 1.380 -0.947 414 1HB LEU 58 HB2 LEU 58 12.126 1.470 1.469 415 2HB LEU 58 HB3 LEU 58 13.165 0.043 1.466 416 HG LEU 58 HG LEU 58 14.941 1.303 0.300 417 1HD1 LEU 58 HD11 LEU 58 13.580 3.010 -0.903 418 2HD1 LEU 58 HD12 LEU 58 13.139 3.739 0.658 419 3HD1 LEU 58 HD13 LEU 58 14.821 3.744 0.093 420 1HD2 LEU 58 HD21 LEU 58 15.575 2.734 2.184 421 2HD2 LEU 58 HD22 LEU 58 13.904 2.690 2.801 422 3HD2 LEU 58 HD23 LEU 58 14.882 1.217 2.774 423 H LEU 59 H LEU 59 13.670 1.614 -2.287 424 HA LEU 59 HA LEU 59 15.468 -0.699 -2.783 425 1HB LEU 59 HB2 LEU 59 13.921 -0.709 -4.647 426 2HB LEU 59 HB3 LEU 59 14.004 1.051 -4.796 427 HG LEU 59 HG LEU 59 16.366 0.903 -5.526 428 1HD1 LEU 59 HD11 LEU 59 17.335 -1.277 -6.167 429 2HD1 LEU 59 HD12 LEU 59 17.067 -1.212 -4.429 430 3HD1 LEU 59 HD13 LEU 59 15.939 -2.118 -5.457 431 1HD2 LEU 59 HD21 LEU 59 15.918 -0.001 -7.750 432 2HD2 LEU 59 HD22 LEU 59 14.480 -0.849 -7.144 433 3HD2 LEU 59 HD23 LEU 59 14.525 0.923 -7.168 434 H ILE 60 H ILE 60 17.579 -0.017 -2.784 435 HA ILE 60 HA ILE 60 18.119 2.891 -2.593 436 HB ILE 60 HB ILE 60 19.511 0.552 -1.265 437 1HG1 ILE 60 HG12 ILE 60 17.694 2.494 0.206 438 2HG1 ILE 60 HG13 ILE 60 17.132 0.943 -0.387 439 1HG2 ILE 60 HG21 ILE 60 20.968 2.545 -1.597 440 2HG2 ILE 60 HG22 ILE 60 19.761 3.567 -0.813 441 3HG2 ILE 60 HG23 ILE 60 20.631 2.329 0.114 442 1HD1 ILE 60 HD11 ILE 60 17.723 0.741 1.921 443 2HD1 ILE 60 HD12 ILE 60 18.778 -0.258 0.897 444 3HD1 ILE 60 HD13 ILE 60 19.383 1.266 1.600 445 H VAL 61 H VAL 61 19.955 3.635 -3.816 446 HA VAL 61 HA VAL 61 21.341 1.608 -5.505 447 HB VAL 61 HB VAL 61 19.956 4.097 -6.570 448 1HG1 VAL 61 HG11 VAL 61 21.570 1.908 -7.944 449 2HG1 VAL 61 HG12 VAL 61 20.561 3.082 -8.816 450 3HG1 VAL 61 HG13 VAL 61 21.943 3.642 -7.879 451 1HG2 VAL 61 HG21 VAL 61 18.237 2.452 -6.091 452 2HG2 VAL 61 HG22 VAL 61 18.490 2.518 -7.831 453 3HG2 VAL 61 HG23 VAL 61 19.176 1.177 -6.894 454 H ASP 62 H ASP 62 23.442 2.006 -5.819 455 HA ASP 62 HA ASP 62 24.624 4.617 -6.000 456 1HB ASP 62 HB2 ASP 62 24.519 4.312 -3.531 457 2HB ASP 62 HB3 ASP 62 25.461 2.831 -3.683 458 H ALA 63 H ALA 63 27.139 4.135 -6.321 459 HA ALA 63 HA ALA 63 27.520 1.809 -8.079 460 1HB ALA 63 HB1 ALA 63 29.467 3.926 -7.049 461 2HB ALA 63 HB2 ALA 63 29.825 2.688 -8.272 462 3HB ALA 63 HB3 ALA 63 28.634 3.950 -8.624 463 H THR 64 H THR 64 29.174 0.158 -7.538 464 HA THR 64 HA THR 64 30.225 0.025 -4.823 465 HB THR 64 HB THR 64 28.489 -2.303 -5.753 466 HG1 THR 64 HG1 THR 64 27.693 0.035 -4.478 467 1HG2 THR 64 HG21 THR 64 29.508 -1.417 -3.019 468 2HG2 THR 64 HG22 THR 64 28.486 -2.833 -3.330 469 3HG2 THR 64 HG23 THR 64 30.129 -2.773 -3.990 470 H ASP 65 H ASP 65 32.277 -0.929 -5.071 471 HA ASP 65 HA ASP 65 32.977 -2.096 -7.671 472 1HB ASP 65 HB2 ASP 65 34.709 -0.856 -6.539 473 2HB ASP 65 HB3 ASP 65 34.564 -1.877 -5.100 474 H MET 66 H MET 66 32.610 -4.097 -8.217 475 HA MET 66 HA MET 66 32.065 -6.182 -6.162 476 1HB MET 66 HB2 MET 66 30.788 -5.596 -8.882 477 2HB MET 66 HB3 MET 66 30.472 -7.046 -7.922 478 1HG MET 66 HG2 MET 66 29.658 -5.689 -6.050 479 2HG MET 66 HG3 MET 66 29.973 -4.211 -6.932 480 1HE MET 66 HE1 MET 66 27.311 -3.991 -9.643 481 2HE MET 66 HE2 MET 66 28.482 -3.118 -8.620 482 3HE MET 66 HE3 MET 66 29.048 -4.384 -9.723 483 H GLY 67 H GLY 67 34.412 -5.211 -8.322 484 1HA GLY 67 HA2 GLY 67 36.085 -6.277 -9.437 485 2HA GLY 67 HA3 GLY 67 35.642 -7.787 -8.618 486 H LEU 68 H LEU 68 33.321 -5.966 -10.567 487 HA LEU 68 HA LEU 68 33.168 -8.203 -12.541 488 1HB LEU 68 HB2 LEU 68 31.131 -6.062 -11.801 489 2HB LEU 68 HB3 LEU 68 30.891 -7.347 -12.988 490 HG LEU 68 HG LEU 68 31.300 -7.824 -10.043 491 1HD1 LEU 68 HD11 LEU 68 28.791 -7.922 -11.762 492 2HD1 LEU 68 HD12 LEU 68 28.900 -8.408 -10.058 493 3HD1 LEU 68 HD13 LEU 68 29.153 -6.716 -10.512 494 1HD2 LEU 68 HD21 LEU 68 30.506 -10.114 -10.592 495 2HD2 LEU 68 HD22 LEU 68 30.592 -9.723 -12.319 496 3HD2 LEU 68 HD23 LEU 68 32.070 -9.751 -11.324 497 H ASN 69 H ASN 69 31.910 -6.921 -14.555 498 HA ASN 69 HA ASN 69 34.061 -5.355 -15.838 499 1HB ASN 69 HB2 ASN 69 32.694 -7.080 -17.080 500 2HB ASN 69 HB3 ASN 69 31.273 -6.056 -16.877 501 1HD2 ASN 69 HD22 ASN 69 31.307 -3.827 -17.997 502 2HD2 ASN 69 HD21 ASN 69 32.315 -3.696 -19.408 503 HA PRO 70 HA PRO 70 32.363 -1.331 -14.560 504 1HB PRO 70 HB2 PRO 70 32.933 -0.721 -17.474 505 2HB PRO 70 HB3 PRO 70 33.157 0.335 -16.043 506 1HG PRO 70 HG2 PRO 70 35.276 -1.008 -17.045 507 2HG PRO 70 HG3 PRO 70 35.005 -1.019 -15.270 508 1HD PRO 70 HD2 PRO 70 34.353 -3.172 -17.277 509 2HD PRO 70 HD3 PRO 70 35.038 -3.325 -15.630 510 H GLY 71 H GLY 71 30.297 -0.546 -14.463 511 1HA GLY 71 HA2 GLY 71 28.159 -0.026 -15.095 512 2HA GLY 71 HA3 GLY 71 28.504 -0.560 -16.744 513 H GLU 72 H GLU 72 29.337 -3.156 -14.679 514 HA GLU 72 HA GLU 72 26.942 -4.674 -15.222 515 1HB GLU 72 HB2 GLU 72 29.391 -5.036 -13.464 516 2HB GLU 72 HB3 GLU 72 28.008 -6.077 -13.219 517 1HG GLU 72 HG2 GLU 72 29.025 -5.743 -16.043 518 2HG GLU 72 HG3 GLU 72 29.924 -6.760 -14.922 519 H ILE 73 H ILE 73 25.342 -5.248 -13.778 520 HA ILE 73 HA ILE 73 24.848 -3.380 -11.501 521 HB ILE 73 HB ILE 73 22.898 -4.478 -13.585 522 1HG1 ILE 73 HG12 ILE 73 23.691 -1.566 -13.168 523 2HG1 ILE 73 HG13 ILE 73 24.424 -2.599 -14.392 524 1HG2 ILE 73 HG21 ILE 73 21.761 -4.293 -11.466 525 2HG2 ILE 73 HG22 ILE 73 22.528 -2.729 -11.135 526 3HG2 ILE 73 HG23 ILE 73 21.285 -2.882 -12.395 527 1HD1 ILE 73 HD11 ILE 73 22.726 -1.298 -15.453 528 2HD1 ILE 73 HD12 ILE 73 22.212 -2.991 -15.431 529 3HD1 ILE 73 HD13 ILE 73 21.492 -1.817 -14.301 530 H ARG 74 H ARG 74 24.157 -4.433 -9.598 531 HA ARG 74 HA ARG 74 23.088 -7.177 -9.821 532 1HB ARG 74 HB2 ARG 74 25.486 -6.457 -8.084 533 2HB ARG 74 HB3 ARG 74 24.568 -7.948 -7.956 534 1HG ARG 74 HG2 ARG 74 26.168 -7.136 -10.402 535 2HG ARG 74 HG3 ARG 74 26.714 -8.221 -9.122 536 1HD ARG 74 HD2 ARG 74 24.847 -9.768 -9.590 537 2HD ARG 74 HD3 ARG 74 24.294 -8.732 -10.908 538 HE ARG 74 HE ARG 74 26.689 -10.452 -10.782 539 1HH1 ARG 74 HH21 ARG 74 25.059 -7.873 -12.646 540 2HH1 ARG 74 HH22 ARG 74 26.045 -8.111 -14.065 541 1HH2 ARG 74 HH11 ARG 74 27.899 -10.796 -12.622 542 2HH2 ARG 74 HH12 ARG 74 27.759 -9.719 -14.020 543 H ILE 75 H ILE 75 21.906 -7.815 -7.998 544 HA ILE 75 HA ILE 75 21.132 -5.708 -6.048 545 HB ILE 75 HB ILE 75 20.310 -8.635 -6.373 546 1HG1 ILE 75 HG12 ILE 75 19.529 -7.466 -8.276 547 2HG1 ILE 75 HG13 ILE 75 18.161 -7.732 -7.222 548 1HG2 ILE 75 HG21 ILE 75 18.400 -8.083 -4.884 549 2HG2 ILE 75 HG22 ILE 75 19.956 -7.991 -4.065 550 3HG2 ILE 75 HG23 ILE 75 19.134 -6.496 -4.554 551 1HD1 ILE 75 HD11 ILE 75 18.346 -5.357 -6.414 552 2HD1 ILE 75 HD12 ILE 75 19.653 -5.106 -7.597 553 3HD1 ILE 75 HD13 ILE 75 18.022 -5.502 -8.153 554 H ILE 76 H ILE 76 21.796 -5.857 -3.807 555 HA ILE 76 HA ILE 76 23.795 -8.002 -3.230 556 HB ILE 76 HB ILE 76 24.181 -5.226 -2.153 557 1HG1 ILE 76 HG12 ILE 76 25.417 -6.329 -4.713 558 2HG1 ILE 76 HG13 ILE 76 24.373 -4.915 -4.565 559 1HG2 ILE 76 HG21 ILE 76 26.425 -6.108 -1.637 560 2HG2 ILE 76 HG22 ILE 76 25.221 -7.229 -1.028 561 3HG2 ILE 76 HG23 ILE 76 26.069 -7.602 -2.530 562 1HD1 ILE 76 HD11 ILE 76 26.166 -3.868 -3.058 563 2HD1 ILE 76 HD12 ILE 76 27.233 -5.187 -3.584 564 3HD1 ILE 76 HD13 ILE 76 26.575 -4.066 -4.780 565 H ASP 77 H ASP 77 23.354 -9.092 -1.416 566 HA ASP 77 HA ASP 77 21.045 -8.455 0.228 567 1HB ASP 77 HB2 ASP 77 21.714 -10.774 -0.301 568 2HB ASP 77 HB3 ASP 77 23.248 -10.537 0.540 569 HA PRO 78 HA PRO 78 23.121 -5.696 3.090 570 1HB PRO 78 HB2 PRO 78 21.569 -7.317 5.124 571 2HB PRO 78 HB3 PRO 78 21.839 -5.545 5.090 572 1HG PRO 78 HG2 PRO 78 19.527 -6.528 4.125 573 2HG PRO 78 HG3 PRO 78 20.419 -5.292 3.178 574 1HD PRO 78 HD2 PRO 78 20.312 -8.263 2.732 575 2HD PRO 78 HD3 PRO 78 20.284 -6.921 1.544 576 H ASP 79 H ASP 79 23.262 -9.191 3.830 577 HA ASP 79 HA ASP 79 25.351 -8.965 5.817 578 1HB ASP 79 HB2 ASP 79 23.873 -10.930 5.644 579 2HB ASP 79 HB3 ASP 79 24.536 -11.300 4.047 580 H ASP 80 H ASP 80 25.321 -8.954 2.312 581 HA ASP 80 HA ASP 80 28.237 -9.479 2.142 582 1HB ASP 80 HB2 ASP 80 26.651 -10.775 0.707 583 2HB ASP 80 HB3 ASP 80 26.152 -9.270 -0.059 584 H ILE 81 H ILE 81 25.813 -6.943 1.689 585 HA ILE 81 HA ILE 81 27.320 -4.905 0.453 586 HB ILE 81 HB ILE 81 25.217 -4.847 2.641 587 1HG1 ILE 81 HG12 ILE 81 25.188 -4.152 -0.324 588 2HG1 ILE 81 HG13 ILE 81 24.508 -5.598 0.425 589 1HG2 ILE 81 HG21 ILE 81 26.607 -2.733 2.860 590 2HG2 ILE 81 HG22 ILE 81 26.148 -2.358 1.191 591 3HG2 ILE 81 HG23 ILE 81 24.921 -2.471 2.453 592 1HD1 ILE 81 HD11 ILE 81 22.654 -4.264 0.080 593 2HD1 ILE 81 HD12 ILE 81 23.015 -3.988 1.782 594 3HD1 ILE 81 HD13 ILE 81 23.483 -2.769 0.574 595 H ALA 82 H ALA 82 27.290 -5.931 3.835 596 HA ALA 82 HA ALA 82 28.838 -3.976 5.019 597 1HB ALA 82 HB1 ALA 82 29.362 -5.686 6.721 598 2HB ALA 82 HB2 ALA 82 27.663 -5.810 6.210 599 3HB ALA 82 HB3 ALA 82 28.869 -6.967 5.592 600 H GLU 83 H GLU 83 29.982 -6.599 2.944 601 HA GLU 83 HA GLU 83 32.829 -5.887 3.508 602 1HB GLU 83 HB2 GLU 83 31.611 -8.194 1.929 603 2HB GLU 83 HB3 GLU 83 33.333 -7.921 2.175 604 1HG GLU 83 HG2 GLU 83 31.278 -8.559 4.339 605 2HG GLU 83 HG3 GLU 83 32.466 -9.665 3.667 606 H MET 84 H MET 84 30.378 -6.135 0.932 607 HA MET 84 HA MET 84 32.180 -5.540 -1.172 608 1HB MET 84 HB2 MET 84 29.157 -5.461 -1.007 609 2HB MET 84 HB3 MET 84 30.036 -5.072 -2.495 610 1HG MET 84 HG2 MET 84 30.375 -7.671 -0.952 611 2HG MET 84 HG3 MET 84 29.327 -7.454 -2.345 612 1HE MET 84 HE1 MET 84 32.265 -9.713 -3.674 613 2HE MET 84 HE2 MET 84 31.599 -9.700 -2.025 614 3HE MET 84 HE3 MET 84 30.507 -9.581 -3.423 615 H PHE 85 H PHE 85 30.243 -3.335 0.851 616 HA PHE 85 HA PHE 85 30.702 -1.045 -0.808 617 1HB PHE 85 HB2 PHE 85 29.701 -1.526 1.960 618 2HB PHE 85 HB3 PHE 85 30.541 -0.005 1.719 619 HD1 PHE 85 HD1 PHE 85 28.060 -2.115 -0.245 620 HD2 PHE 85 HD2 PHE 85 29.230 1.814 1.150 621 HE1 PHE 85 HE1 PHE 85 26.112 -1.112 -1.384 622 HE2 PHE 85 HE2 PHE 85 27.280 2.801 -0.026 623 HZ PHE 85 HZ PHE 85 25.716 1.345 -1.277 624 H MET 86 H MET 86 32.681 -2.497 1.814 625 HA MET 86 HA MET 86 34.635 -0.344 1.503 626 1HB MET 86 HB2 MET 86 35.906 -1.359 3.249 627 2HB MET 86 HB3 MET 86 34.228 -1.137 3.730 628 1HG MET 86 HG2 MET 86 33.740 -3.498 3.380 629 2HG MET 86 HG3 MET 86 35.364 -3.793 2.757 630 1HE MET 86 HE1 MET 86 37.356 -2.329 4.743 631 2HE MET 86 HE2 MET 86 37.626 -3.645 5.901 632 3HE MET 86 HE3 MET 86 37.507 -4.005 4.165 633 H MET 87 H MET 87 34.032 -2.459 -0.746 634 HA MET 87 HA MET 87 36.753 -3.437 -1.268 635 1HB MET 87 HB2 MET 87 34.335 -3.105 -3.089 636 2HB MET 87 HB3 MET 87 35.859 -3.872 -3.552 637 1HG MET 87 HG2 MET 87 34.101 -4.806 -1.279 638 2HG MET 87 HG3 MET 87 34.043 -5.465 -2.914 639 1HE MET 87 HE1 MET 87 34.260 -7.881 -1.708 640 2HE MET 87 HE2 MET 87 35.582 -8.294 -0.597 641 3HE MET 87 HE3 MET 87 34.387 -7.063 -0.133 642 H THR 88 H THR 88 34.849 -0.445 -1.779 643 HA THR 88 HA THR 88 36.451 0.521 -3.952 644 HB THR 88 HB THR 88 35.147 2.607 -3.526 645 HG1 THR 88 HG1 THR 88 34.854 2.661 -1.362 646 1HG2 THR 88 HG21 THR 88 32.903 1.683 -3.939 647 2HG2 THR 88 HG22 THR 88 34.121 0.804 -4.875 648 3HG2 THR 88 HG23 THR 88 33.433 0.073 -3.404 649 H THR 89 H THR 89 36.333 1.147 -0.450 650 HA THR 89 HA THR 89 38.960 2.298 -0.153 651 HB THR 89 HB THR 89 37.641 4.383 0.826 652 HG1 THR 89 HG1 THR 89 35.665 4.780 -0.100 653 1HG2 THR 89 HG21 THR 89 37.792 5.686 -1.131 654 2HG2 THR 89 HG22 THR 89 39.085 4.483 -1.261 655 3HG2 THR 89 HG23 THR 89 37.586 4.294 -2.203 656 H HIS 90 H HIS 90 38.590 3.284 2.342 657 HA HIS 90 HA HIS 90 37.579 1.128 4.033 658 1HB HIS 90 HB2 HIS 90 38.636 3.920 4.523 659 2HB HIS 90 HB3 HIS 90 38.215 2.778 5.815 660 HD1 HIS 90 HD1 HIS 90 39.762 0.373 5.725 661 HD2 HIS 90 HD2 HIS 90 41.120 3.803 3.689 662 HE1 HIS 90 HE1 HIS 90 42.235 -0.003 5.262 663 H ASN 91 H ASN 91 35.549 1.631 2.487 664 HA ASN 91 HA ASN 91 33.895 3.895 2.882 665 1HB ASN 91 HB2 ASN 91 34.054 2.055 0.991 666 2HB ASN 91 HB3 ASN 91 32.895 1.179 1.995 667 1HD2 ASN 91 HD22 ASN 91 32.488 2.041 -0.677 668 2HD2 ASN 91 HD21 ASN 91 31.162 3.198 -0.669 669 H MET 92 H MET 92 31.632 3.779 3.697 670 HA MET 92 HA MET 92 31.429 2.785 6.408 671 1HB MET 92 HB2 MET 92 29.460 3.977 4.405 672 2HB MET 92 HB3 MET 92 28.972 3.463 6.017 673 1HG MET 92 HG2 MET 92 31.117 5.542 5.439 674 2HG MET 92 HG3 MET 92 29.443 5.895 5.863 675 1HE MET 92 HE1 MET 92 31.405 7.048 9.049 676 2HE MET 92 HE2 MET 92 31.946 7.155 7.360 677 3HE MET 92 HE3 MET 92 30.253 7.514 7.777 678 HA PRO 93 HA PRO 93 29.709 -1.235 5.035 679 1HB PRO 93 HB2 PRO 93 29.213 -2.385 7.447 680 2HB PRO 93 HB3 PRO 93 30.878 -2.127 6.855 681 1HG PRO 93 HG2 PRO 93 29.303 -0.376 8.768 682 2HG PRO 93 HG3 PRO 93 30.976 -0.987 8.949 683 1HD PRO 93 HD2 PRO 93 30.385 1.518 7.969 684 2HD PRO 93 HD3 PRO 93 31.818 0.590 7.436 685 H LEU 94 H LEU 94 28.199 0.592 4.300 686 HA LEU 94 HA LEU 94 26.162 1.657 5.722 687 1HB LEU 94 HB2 LEU 94 27.035 1.558 2.968 688 2HB LEU 94 HB3 LEU 94 25.281 1.505 2.984 689 HG LEU 94 HG LEU 94 26.944 3.543 4.524 690 1HD1 LEU 94 HD11 LEU 94 27.285 3.858 2.132 691 2HD1 LEU 94 HD12 LEU 94 25.530 3.845 1.842 692 3HD1 LEU 94 HD13 LEU 94 26.282 5.166 2.767 693 1HD2 LEU 94 HD21 LEU 94 24.676 3.265 5.484 694 2HD2 LEU 94 HD22 LEU 94 24.832 4.831 4.694 695 3HD2 LEU 94 HD23 LEU 94 23.957 3.511 3.880 696 H ASN 95 H ASN 95 26.054 -1.617 5.035 697 HA ASN 95 HA ASN 95 23.271 -2.094 4.767 698 1HB ASN 95 HB2 ASN 95 23.695 -4.246 5.331 699 2HB ASN 95 HB3 ASN 95 25.323 -3.788 4.871 700 1HD2 ASN 95 HD22 ASN 95 26.589 -2.730 7.041 701 2HD2 ASN 95 HD21 ASN 95 26.424 -3.788 8.410 702 H TYR 96 H TYR 96 25.087 -0.752 7.492 703 HA TYR 96 HA TYR 96 23.207 -1.274 9.540 704 1HB TYR 96 HB2 TYR 96 24.288 0.475 10.764 705 2HB TYR 96 HB3 TYR 96 25.490 -0.477 9.911 706 HD1 TYR 96 HD1 TYR 96 23.538 2.765 9.557 707 HD2 TYR 96 HD2 TYR 96 27.218 0.640 8.832 708 HE1 TYR 96 HE1 TYR 96 24.554 4.832 8.698 709 HE2 TYR 96 HE2 TYR 96 28.265 2.721 8.029 710 HH TYR 96 HH TYR 96 27.968 5.013 7.626 711 H LEU 97 H LEU 97 23.022 1.030 6.849 712 HA LEU 97 HA LEU 97 20.915 2.660 8.013 713 1HB LEU 97 HB2 LEU 97 22.274 3.555 6.271 714 2HB LEU 97 HB3 LEU 97 21.943 2.216 5.182 715 HG LEU 97 HG LEU 97 19.531 3.744 6.082 716 1HD1 LEU 97 HD11 LEU 97 19.892 5.576 4.520 717 2HD1 LEU 97 HD12 LEU 97 21.188 5.563 5.720 718 3HD1 LEU 97 HD13 LEU 97 21.500 4.934 4.090 719 1HD2 LEU 97 HD21 LEU 97 20.512 2.793 3.341 720 2HD2 LEU 97 HD22 LEU 97 19.387 1.905 4.381 721 3HD2 LEU 97 HD23 LEU 97 18.910 3.463 3.702 722 H ILE 98 H ILE 98 21.065 -0.217 5.888 723 HA ILE 98 HA ILE 98 18.256 -0.442 5.427 724 HB ILE 98 HB ILE 98 20.442 -2.582 5.428 725 1HG1 ILE 98 HG12 ILE 98 19.273 -0.920 3.166 726 2HG1 ILE 98 HG13 ILE 98 20.859 -0.665 3.900 727 1HG2 ILE 98 HG21 ILE 98 18.820 -3.836 3.937 728 2HG2 ILE 98 HG22 ILE 98 18.300 -3.675 5.607 729 3HG2 ILE 98 HG23 ILE 98 17.596 -2.634 4.367 730 1HD1 ILE 98 HD11 ILE 98 21.255 -1.813 1.881 731 2HD1 ILE 98 HD12 ILE 98 21.515 -2.978 3.197 732 3HD1 ILE 98 HD13 ILE 98 20.023 -3.037 2.216 733 H ASP 99 H ASP 99 20.438 -1.823 7.907 734 HA ASP 99 HA ASP 99 18.451 -3.330 9.229 735 1HB ASP 99 HB2 ASP 99 20.904 -3.609 9.520 736 2HB ASP 99 HB3 ASP 99 20.980 -2.063 10.368 737 H GLN 100 H GLN 100 18.828 0.099 9.209 738 HA GLN 100 HA GLN 100 17.112 0.438 11.626 739 1HB GLN 100 HB2 GLN 100 19.000 2.315 10.155 740 2HB GLN 100 HB3 GLN 100 17.881 2.853 11.415 741 1HG GLN 100 HG2 GLN 100 18.911 1.419 13.077 742 2HG GLN 100 HG3 GLN 100 19.971 0.686 11.872 743 1HE2 GLN 100 HE22 GLN 100 21.630 1.976 10.879 744 2HE2 GLN 100 HE21 GLN 100 22.276 3.397 11.706 745 H LEU 101 H LEU 101 16.462 -0.312 8.648 746 HA LEU 101 HA LEU 101 14.116 1.521 8.447 747 1HB LEU 101 HB2 LEU 101 16.105 0.716 6.285 748 2HB LEU 101 HB3 LEU 101 14.492 1.278 5.891 749 HG LEU 101 HG LEU 101 16.508 2.930 7.464 750 1HD1 LEU 101 HD11 LEU 101 17.164 2.479 5.096 751 2HD1 LEU 101 HD12 LEU 101 15.641 3.217 4.566 752 3HD1 LEU 101 HD13 LEU 101 16.849 4.188 5.431 753 1HD2 LEU 101 HD21 LEU 101 14.230 3.610 7.979 754 2HD2 LEU 101 HD22 LEU 101 14.927 4.804 6.882 755 3HD2 LEU 101 HD23 LEU 101 13.776 3.599 6.264 756 H LYS 102 H LYS 102 15.566 -1.620 7.608 757 HA LYS 102 HA LYS 102 13.317 -2.895 6.566 758 1HB LYS 102 HB2 LYS 102 14.443 -4.922 6.954 759 2HB LYS 102 HB3 LYS 102 15.731 -3.733 6.699 760 1HG LYS 102 HG2 LYS 102 16.240 -3.651 9.059 761 2HG LYS 102 HG3 LYS 102 14.835 -4.622 9.472 762 1HD LYS 102 HD2 LYS 102 16.736 -6.053 9.566 763 2HD LYS 102 HD3 LYS 102 15.716 -6.538 8.200 764 1HE LYS 102 HE2 LYS 102 17.255 -5.462 6.618 765 2HE LYS 102 HE3 LYS 102 18.256 -4.865 7.950 766 1HZ LYS 102 HZ1 LYS 102 17.812 -7.725 7.301 767 2HZ LYS 102 HZ2 LYS 102 19.182 -6.888 7.014 768 3HZ LYS 102 HZ3 LYS 102 18.718 -7.181 8.547 769 H GLU 103 H GLU 103 13.835 -1.904 9.829 770 HA GLU 103 HA GLU 103 12.333 -3.744 11.305 771 1HB GLU 103 HB2 GLU 103 12.685 -0.753 11.729 772 2HB GLU 103 HB3 GLU 103 12.219 -1.929 12.971 773 1HG GLU 103 HG2 GLU 103 14.431 -3.050 12.693 774 2HG GLU 103 HG3 GLU 103 14.892 -1.802 11.524 775 H ASP 104 H ASP 104 11.230 -1.161 9.167 776 HA ASP 104 HA ASP 104 8.408 -1.584 10.075 777 1HB ASP 104 HB2 ASP 104 9.570 0.516 10.949 778 2HB ASP 104 HB3 ASP 104 9.644 1.060 9.267 779 H ILE 105 H ILE 105 10.318 -2.216 7.595 780 HA ILE 105 HA ILE 105 8.401 -1.375 5.475 781 HB ILE 105 HB ILE 105 11.430 -1.593 5.327 782 1HG1 ILE 105 HG12 ILE 105 9.641 0.869 5.136 783 2HG1 ILE 105 HG13 ILE 105 10.624 0.453 6.524 784 1HG2 ILE 105 HG21 ILE 105 9.403 -0.840 3.167 785 2HG2 ILE 105 HG22 ILE 105 11.158 -0.715 2.986 786 3HG2 ILE 105 HG23 ILE 105 10.431 -2.284 3.209 787 1HD1 ILE 105 HD11 ILE 105 12.655 0.525 4.985 788 2HD1 ILE 105 HD12 ILE 105 11.608 1.322 3.798 789 3HD1 ILE 105 HD13 ILE 105 11.875 2.075 5.377 790 H GLY 106 H GLY 106 7.853 -2.908 3.925 791 1HA GLY 106 HA2 GLY 106 7.821 -5.622 4.835 792 2HA GLY 106 HA3 GLY 106 7.210 -4.989 3.296 793 H GLU 107 H GLU 107 9.632 -3.909 2.177 794 HA GLU 107 HA GLU 107 11.641 -6.059 2.279 795 1HB GLU 107 HB2 GLU 107 9.877 -6.526 0.442 796 2HB GLU 107 HB3 GLU 107 10.412 -5.029 -0.323 797 1HG GLU 107 HG2 GLU 107 11.553 -6.837 -1.404 798 2HG GLU 107 HG3 GLU 107 12.747 -6.001 -0.418 799 H VAL 108 H VAL 108 13.695 -5.135 2.174 800 HA VAL 108 HA VAL 108 13.931 -2.418 1.008 801 HB VAL 108 HB VAL 108 15.488 -3.437 3.419 802 1HG1 VAL 108 HG11 VAL 108 16.243 -0.991 3.442 803 2HG1 VAL 108 HG12 VAL 108 16.841 -1.933 2.069 804 3HG1 VAL 108 HG13 VAL 108 15.487 -0.815 1.846 805 1HG2 VAL 108 HG21 VAL 108 13.316 -1.317 3.292 806 2HG2 VAL 108 HG22 VAL 108 13.196 -2.893 4.104 807 3HG2 VAL 108 HG23 VAL 108 14.335 -1.676 4.697 808 H ILE 109 H ILE 109 15.310 -2.390 -0.630 809 HA ILE 109 HA ILE 109 17.035 -4.770 -1.178 810 HB ILE 109 HB ILE 109 15.426 -3.042 -3.102 811 1HG1 ILE 109 HG12 ILE 109 14.547 -5.853 -2.371 812 2HG1 ILE 109 HG13 ILE 109 13.937 -4.448 -1.500 813 1HG2 ILE 109 HG21 ILE 109 16.850 -5.726 -3.448 814 2HG2 ILE 109 HG22 ILE 109 15.820 -4.992 -4.678 815 3HG2 ILE 109 HG23 ILE 109 17.300 -4.175 -4.197 816 1HD1 ILE 109 HD11 ILE 109 13.569 -4.870 -4.463 817 2HD1 ILE 109 HD12 ILE 109 12.355 -4.995 -3.171 818 3HD1 ILE 109 HD13 ILE 109 13.094 -3.426 -3.525 819 H PHE 110 H PHE 110 19.012 -4.265 -2.294 820 HA PHE 110 HA PHE 110 19.598 -1.403 -2.766 821 1HB PHE 110 HB2 PHE 110 20.765 -1.967 -0.684 822 2HB PHE 110 HB3 PHE 110 21.419 -3.422 -1.446 823 HD1 PHE 110 HD1 PHE 110 23.287 -3.313 -3.025 824 HD2 PHE 110 HD2 PHE 110 21.638 0.282 -1.335 825 HE1 PHE 110 HE1 PHE 110 25.127 -1.982 -4.030 826 HE2 PHE 110 HE2 PHE 110 23.424 1.617 -2.414 827 HZ PHE 110 HZ PHE 110 25.167 0.475 -3.783 828 H LEU 111 H LEU 111 20.635 -1.076 -4.684 829 HA LEU 111 HA LEU 111 21.495 -3.428 -6.284 830 1HB LEU 111 HB2 LEU 111 19.394 -2.614 -7.093 831 2HB LEU 111 HB3 LEU 111 19.933 -0.941 -7.076 832 HG LEU 111 HG LEU 111 21.416 -2.964 -8.767 833 1HD1 LEU 111 HD11 LEU 111 19.026 -3.277 -9.291 834 2HD1 LEU 111 HD12 LEU 111 18.842 -1.520 -9.529 835 3HD1 LEU 111 HD13 LEU 111 19.840 -2.483 -10.633 836 1HD2 LEU 111 HD21 LEU 111 22.404 -0.696 -8.699 837 2HD2 LEU 111 HD22 LEU 111 21.680 -0.945 -10.270 838 3HD2 LEU 111 HD23 LEU 111 20.822 0.024 -9.071 839 H GLY 112 H GLY 112 23.547 -3.278 -6.930 840 1HA GLY 112 HA2 GLY 112 25.072 -0.755 -6.472 841 2HA GLY 112 HA3 GLY 112 25.732 -2.382 -6.331 842 H ILE 113 H ILE 113 26.653 -0.252 -8.060 843 HA ILE 113 HA ILE 113 26.404 -1.579 -10.712 844 HB ILE 113 HB ILE 113 26.478 1.408 -10.120 845 1HG1 ILE 113 HG12 ILE 113 24.246 -0.190 -11.455 846 2HG1 ILE 113 HG13 ILE 113 24.238 0.291 -9.757 847 1HG2 ILE 113 HG21 ILE 113 26.323 1.718 -12.573 848 2HG2 ILE 113 HG22 ILE 113 27.787 0.865 -12.143 849 3HG2 ILE 113 HG23 ILE 113 26.418 -0.049 -12.801 850 1HD1 ILE 113 HD11 ILE 113 22.923 1.882 -10.912 851 2HD1 ILE 113 HD12 ILE 113 24.438 2.664 -10.422 852 3HD1 ILE 113 HD13 ILE 113 24.184 2.178 -12.121 853 H GLN 114 H GLN 114 28.412 -2.177 -11.442 854 HA GLN 114 HA GLN 114 30.760 -1.807 -9.920 855 1HB GLN 114 HB2 GLN 114 30.390 -3.696 -11.423 856 2HB GLN 114 HB3 GLN 114 30.339 -2.620 -12.816 857 1HG GLN 114 HG2 GLN 114 32.487 -3.743 -12.688 858 2HG GLN 114 HG3 GLN 114 32.721 -2.024 -12.471 859 1HE2 GLN 114 HE22 GLN 114 34.142 -1.531 -10.791 860 2HE2 GLN 114 HE21 GLN 114 34.484 -2.631 -9.440 861 HA PRO 115 HA PRO 115 31.859 2.272 -11.768 862 1HB PRO 115 HB2 PRO 115 33.727 3.054 -9.986 863 2HB PRO 115 HB3 PRO 115 31.990 3.059 -9.554 864 1HG PRO 115 HG2 PRO 115 34.043 0.905 -8.937 865 2HG PRO 115 HG3 PRO 115 32.902 1.703 -7.804 866 1HD PRO 115 HD2 PRO 115 32.344 -0.684 -9.015 867 2HD PRO 115 HD3 PRO 115 31.082 0.518 -8.649 868 H ASP 116 H ASP 116 33.936 3.101 -12.565 869 HA ASP 116 HA ASP 116 36.170 1.150 -12.832 870 1HB ASP 116 HB2 ASP 116 34.919 1.288 -14.964 871 2HB ASP 116 HB3 ASP 116 35.127 3.039 -14.975 872 H ILE 117 H ILE 117 35.039 4.564 -12.507 873 HA ILE 117 HA ILE 117 37.732 5.212 -11.452 874 HB ILE 117 HB ILE 117 38.003 7.164 -12.631 875 1HG1 ILE 117 HG12 ILE 117 36.106 7.829 -14.445 876 2HG1 ILE 117 HG13 ILE 117 35.060 7.106 -13.227 877 1HG2 ILE 117 HG21 ILE 117 38.451 5.195 -14.064 878 2HG2 ILE 117 HG22 ILE 117 36.827 5.383 -14.785 879 3HG2 ILE 117 HG23 ILE 117 38.040 6.658 -14.972 880 1HD1 ILE 117 HD11 ILE 117 35.289 9.479 -12.827 881 2HD1 ILE 117 HD12 ILE 117 36.150 8.664 -11.516 882 3HD1 ILE 117 HD13 ILE 117 37.061 9.374 -12.859 883 H VAL 118 H VAL 118 37.701 6.487 -9.607 884 HA VAL 118 HA VAL 118 35.219 7.747 -8.702 885 HB VAL 118 HB VAL 118 36.619 5.502 -7.178 886 1HG1 VAL 118 HG11 VAL 118 36.052 7.281 -5.580 887 2HG1 VAL 118 HG12 VAL 118 34.397 7.364 -6.224 888 3HG1 VAL 118 HG13 VAL 118 34.958 5.918 -5.363 889 1HG2 VAL 118 HG21 VAL 118 34.351 4.454 -7.097 890 2HG2 VAL 118 HG22 VAL 118 33.736 5.739 -8.159 891 3HG2 VAL 118 HG23 VAL 118 34.972 4.596 -8.738 892 H GLY 119 H GLY 119 35.750 9.545 -7.523 893 1HA GLY 119 HA2 GLY 119 37.680 10.152 -5.768 894 2HA GLY 119 HA3 GLY 119 38.562 10.369 -7.295 895 H PHE 120 H PHE 120 37.788 12.505 -5.388 896 HA PHE 120 HA PHE 120 35.468 13.882 -6.322 897 1HB PHE 120 HB2 PHE 120 37.921 14.886 -4.836 898 2HB PHE 120 HB3 PHE 120 36.452 15.813 -5.102 899 HD1 PHE 120 HD1 PHE 120 34.190 14.763 -4.275 900 HD2 PHE 120 HD2 PHE 120 38.087 13.543 -2.864 901 HE1 PHE 120 HE1 PHE 120 33.158 13.795 -2.236 902 HE2 PHE 120 HE2 PHE 120 37.044 12.585 -0.829 903 HZ PHE 120 HZ PHE 120 34.579 12.708 -0.511 904 H TYR 121 H TYR 121 35.242 15.525 -7.652 905 HA TYR 121 HA TYR 121 35.402 16.813 -9.437 906 1HB TYR 121 HB2 TYR 121 37.206 17.930 -8.078 907 2HB TYR 121 HB3 TYR 121 38.394 17.029 -9.003 908 HD1 TYR 121 HD1 TYR 121 35.483 19.393 -9.406 909 HD2 TYR 121 HD2 TYR 121 39.231 17.984 -11.018 910 HE1 TYR 121 HE1 TYR 121 35.419 21.186 -11.109 911 HE2 TYR 121 HE2 TYR 121 39.182 19.779 -12.719 912 HH TYR 121 HH TYR 121 38.010 21.606 -13.570 913 H TYR 122 H TYR 122 35.101 14.172 -9.851 914 HA TYR 122 HA TYR 122 36.236 14.004 -12.581 915 1HB TYR 122 HB2 TYR 122 36.044 11.715 -10.591 916 2HB TYR 122 HB3 TYR 122 36.054 11.491 -12.325 917 HD1 TYR 122 HD1 TYR 122 38.140 12.382 -9.442 918 HD2 TYR 122 HD2 TYR 122 38.016 11.852 -13.712 919 HE1 TYR 122 HE1 TYR 122 40.601 12.394 -9.492 920 HE2 TYR 122 HE2 TYR 122 40.487 11.826 -13.787 921 HH TYR 122 HH TYR 122 42.513 12.216 -10.833 922 HA PRO 123 HA PRO 123 31.858 13.398 -13.385 923 1HB PRO 123 HB2 PRO 123 31.879 12.802 -16.015 924 2HB PRO 123 HB3 PRO 123 32.467 14.393 -15.438 925 1HG PRO 123 HG2 PRO 123 34.108 11.934 -16.127 926 2HG PRO 123 HG3 PRO 123 34.369 13.625 -16.667 927 1HD PRO 123 HD2 PRO 123 35.657 12.466 -14.503 928 2HD PRO 123 HD3 PRO 123 35.318 14.224 -14.620 929 H MET 124 H MET 124 30.348 11.646 -14.165 930 HA MET 124 HA MET 124 31.158 8.951 -13.410 931 1HB MET 124 HB2 MET 124 28.889 9.893 -13.061 932 2HB MET 124 HB3 MET 124 28.672 10.037 -14.814 933 1HG MET 124 HG2 MET 124 28.950 7.568 -15.020 934 2HG MET 124 HG3 MET 124 29.091 7.446 -13.270 935 1HE MET 124 HE1 MET 124 25.561 8.419 -12.008 936 2HE MET 124 HE2 MET 124 27.233 7.972 -11.586 937 3HE MET 124 HE3 MET 124 26.862 9.590 -12.237 938 H THR 125 H THR 125 31.880 7.383 -14.803 939 HA THR 125 HA THR 125 32.618 8.085 -17.509 940 HB THR 125 HB THR 125 32.763 5.240 -16.849 941 HG1 THR 125 HG1 THR 125 32.984 6.028 -14.682 942 1HG2 THR 125 HG21 THR 125 34.156 6.386 -18.566 943 2HG2 THR 125 HG22 THR 125 34.947 7.316 -17.265 944 3HG2 THR 125 HG23 THR 125 35.137 5.551 -17.349 945 H GLN 126 H GLN 126 32.066 6.663 -19.329 946 HA GLN 126 HA GLN 126 29.330 6.957 -19.813 947 1HB GLN 126 HB2 GLN 126 31.227 7.068 -21.438 948 2HB GLN 126 HB3 GLN 126 31.274 5.311 -21.488 949 1HG GLN 126 HG2 GLN 126 28.681 6.798 -22.066 950 2HG GLN 126 HG3 GLN 126 29.953 6.756 -23.272 951 1HE2 GLN 126 HE22 GLN 126 27.653 4.692 -21.470 952 2HE2 GLN 126 HE21 GLN 126 27.732 3.363 -22.610 953 HA PRO 127 HA PRO 127 28.622 2.284 -19.668 954 1HB PRO 127 HB2 PRO 127 30.127 0.676 -17.974 955 2HB PRO 127 HB3 PRO 127 30.399 0.887 -19.728 956 1HG PRO 127 HG2 PRO 127 31.794 2.276 -17.437 957 2HG PRO 127 HG3 PRO 127 32.510 1.588 -18.925 958 1HD PRO 127 HD2 PRO 127 32.041 4.228 -18.653 959 2HD PRO 127 HD3 PRO 127 31.790 3.417 -20.223 960 H ILE 128 H ILE 128 29.649 4.067 -16.748 961 HA ILE 128 HA ILE 128 27.649 2.700 -15.110 962 HB ILE 128 HB ILE 128 29.519 5.013 -14.548 963 1HG1 ILE 128 HG12 ILE 128 30.409 3.416 -12.845 964 2HG1 ILE 128 HG13 ILE 128 29.294 2.183 -13.391 965 1HG2 ILE 128 HG21 ILE 128 27.373 5.314 -13.250 966 2HG2 ILE 128 HG22 ILE 128 27.594 3.705 -12.561 967 3HG2 ILE 128 HG23 ILE 128 28.766 4.998 -12.228 968 1HD1 ILE 128 HD11 ILE 128 30.485 1.863 -15.421 969 2HD1 ILE 128 HD12 ILE 128 31.428 3.374 -15.191 970 3HD1 ILE 128 HD13 ILE 128 31.702 1.966 -14.151 971 H LYS 129 H LYS 129 27.943 5.770 -16.923 972 HA LYS 129 HA LYS 129 25.380 6.838 -16.251 973 1HB LYS 129 HB2 LYS 129 26.890 6.957 -18.899 974 2HB LYS 129 HB3 LYS 129 25.391 7.818 -18.578 975 1HG LYS 129 HG2 LYS 129 26.428 9.113 -16.798 976 2HG LYS 129 HG3 LYS 129 27.955 8.226 -16.994 977 1HD LYS 129 HD2 LYS 129 28.209 9.049 -19.280 978 2HD LYS 129 HD3 LYS 129 26.621 9.846 -19.207 979 1HE LYS 129 HE2 LYS 129 27.411 11.289 -17.360 980 2HE LYS 129 HE3 LYS 129 28.989 10.497 -17.402 981 1HZ LYS 129 HZ1 LYS 129 27.828 12.083 -19.621 982 2HZ LYS 129 HZ2 LYS 129 29.007 12.586 -18.617 983 3HZ LYS 129 HZ3 LYS 129 29.296 11.359 -19.649 984 H ASP 130 H ASP 130 26.295 4.476 -18.790 985 HA ASP 130 HA ASP 130 23.654 4.055 -19.763 986 1HB ASP 130 HB2 ASP 130 25.630 3.356 -21.009 987 2HB ASP 130 HB3 ASP 130 26.058 2.197 -19.749 988 H ALA 131 H ALA 131 25.444 2.456 -17.124 989 HA ALA 131 HA ALA 131 23.444 0.520 -16.532 990 1HB ALA 131 HB1 ALA 131 25.469 1.828 -14.677 991 2HB ALA 131 HB2 ALA 131 24.562 0.343 -14.345 992 3HB ALA 131 HB3 ALA 131 25.745 0.384 -15.672 993 H VAL 132 H VAL 132 23.984 3.835 -15.146 994 HA VAL 132 HA VAL 132 21.739 3.740 -13.400 995 HB VAL 132 HB VAL 132 23.256 6.060 -14.662 996 1HG1 VAL 132 HG11 VAL 132 21.040 6.094 -12.583 997 2HG1 VAL 132 HG12 VAL 132 22.197 7.420 -12.763 998 3HG1 VAL 132 HG13 VAL 132 21.113 7.004 -14.102 999 1HG2 VAL 132 HG21 VAL 132 23.254 4.962 -11.809 1000 2HG2 VAL 132 HG22 VAL 132 24.518 4.639 -13.012 1001 3HG2 VAL 132 HG23 VAL 132 24.251 6.289 -12.441 1002 H GLU 133 H GLU 133 21.996 4.741 -16.863 1003 HA GLU 133 HA GLU 133 19.281 5.561 -17.116 1004 1HB GLU 133 HB2 GLU 133 21.083 6.094 -18.723 1005 2HB GLU 133 HB3 GLU 133 21.211 4.397 -19.167 1006 1HG GLU 133 HG2 GLU 133 19.962 5.645 -20.846 1007 2HG GLU 133 HG3 GLU 133 18.964 4.402 -20.104 1008 H THR 134 H THR 134 20.828 2.329 -17.417 1009 HA THR 134 HA THR 134 18.482 0.951 -18.297 1010 HB THR 134 HB THR 134 20.863 -0.102 -16.701 1011 HG1 THR 134 HG1 THR 134 21.527 0.886 -18.607 1012 1HG2 THR 134 HG21 THR 134 20.340 -2.263 -17.797 1013 2HG2 THR 134 HG22 THR 134 19.025 -1.736 -16.741 1014 3HG2 THR 134 HG23 THR 134 18.869 -1.549 -18.499 1015 H VAL 135 H VAL 135 19.840 1.490 -14.974 1016 HA VAL 135 HA VAL 135 17.753 0.131 -13.594 1017 HB VAL 135 HB VAL 135 19.594 2.411 -12.752 1018 1HG1 VAL 135 HG11 VAL 135 19.090 1.718 -10.406 1019 2HG1 VAL 135 HG12 VAL 135 17.676 2.400 -11.215 1020 3HG1 VAL 135 HG13 VAL 135 17.813 0.640 -11.013 1021 1HG2 VAL 135 HG21 VAL 135 20.717 0.241 -13.358 1022 2HG2 VAL 135 HG22 VAL 135 20.894 0.672 -11.663 1023 3HG2 VAL 135 HG23 VAL 135 19.721 -0.578 -12.150 1024 H TYR 136 H TYR 136 18.096 3.593 -14.550 1025 HA TYR 136 HA TYR 136 15.732 4.579 -13.442 1026 1HB TYR 136 HB2 TYR 136 17.396 6.060 -14.368 1027 2HB TYR 136 HB3 TYR 136 17.268 5.322 -15.953 1028 HD1 TYR 136 HD1 TYR 136 15.892 6.281 -17.600 1029 HD2 TYR 136 HD2 TYR 136 15.142 7.116 -13.424 1030 HE1 TYR 136 HE1 TYR 136 14.100 7.866 -18.235 1031 HE2 TYR 136 HE2 TYR 136 13.340 8.686 -14.057 1032 HH TYR 136 HH TYR 136 12.147 9.624 -15.776 1033 H GLN 137 H GLN 137 16.174 3.120 -16.744 1034 HA GLN 137 HA GLN 137 13.390 3.338 -17.382 1035 1HB GLN 137 HB2 GLN 137 15.618 1.566 -18.462 1036 2HB GLN 137 HB3 GLN 137 13.966 1.553 -19.108 1037 1HG GLN 137 HG2 GLN 137 14.095 3.950 -19.633 1038 2HG GLN 137 HG3 GLN 137 15.696 4.052 -18.910 1039 1HE2 GLN 137 HE22 GLN 137 16.670 4.808 -20.800 1040 2HE2 GLN 137 HE21 GLN 137 16.911 3.786 -22.219 1041 H ARG 138 H ARG 138 15.254 0.776 -15.737 1042 HA ARG 138 HA ARG 138 13.160 -1.142 -15.792 1043 1HB ARG 138 HB2 ARG 138 15.697 -1.413 -15.108 1044 2HB ARG 138 HB3 ARG 138 15.142 -0.975 -13.495 1045 1HG ARG 138 HG2 ARG 138 15.211 -3.371 -13.653 1046 2HG ARG 138 HG3 ARG 138 13.509 -2.935 -13.603 1047 1HD ARG 138 HD2 ARG 138 13.253 -3.345 -15.959 1048 2HD ARG 138 HD3 ARG 138 15.008 -3.347 -16.231 1049 HE ARG 138 HE ARG 138 14.719 -5.415 -14.492 1050 1HH1 ARG 138 HH21 ARG 138 13.229 -4.700 -17.650 1051 2HH1 ARG 138 HH22 ARG 138 12.957 -6.359 -18.034 1052 1HH2 ARG 138 HH12 ARG 138 14.308 -7.522 -14.947 1053 2HH2 ARG 138 HH11 ARG 138 13.617 -8.041 -16.461 1054 H LEU 139 H LEU 139 13.643 1.633 -13.660 1055 HA LEU 139 HA LEU 139 11.961 0.931 -11.537 1056 1HB LEU 139 HB2 LEU 139 12.286 3.642 -12.868 1057 2HB LEU 139 HB3 LEU 139 11.485 3.404 -11.342 1058 HG LEU 139 HG LEU 139 14.428 2.917 -11.874 1059 1HD1 LEU 139 HD11 LEU 139 13.798 5.270 -11.850 1060 2HD1 LEU 139 HD12 LEU 139 12.941 5.058 -10.310 1061 3HD1 LEU 139 HD13 LEU 139 14.702 4.870 -10.381 1062 1HD2 LEU 139 HD21 LEU 139 13.643 1.345 -10.124 1063 2HD2 LEU 139 HD22 LEU 139 14.678 2.604 -9.453 1064 3HD2 LEU 139 HD23 LEU 139 12.922 2.708 -9.237 1065 H GLU 140 H GLU 140 10.964 1.550 -14.845 1066 HA GLU 140 HA GLU 140 8.228 2.262 -14.162 1067 1HB GLU 140 HB2 GLU 140 9.572 3.027 -16.137 1068 2HB GLU 140 HB3 GLU 140 9.449 1.397 -16.812 1069 1HG GLU 140 HG2 GLU 140 6.950 1.663 -16.849 1070 2HG GLU 140 HG3 GLU 140 7.140 3.301 -16.215 1071 H GLY 141 H GLY 141 9.961 -0.766 -14.572 1072 1HA GLY 141 HA2 GLY 141 7.385 -2.287 -14.662 1073 2HA GLY 141 HA3 GLY 141 8.626 -2.536 -15.894 1074 H TRP 142 H TRP 142 10.220 -1.924 -13.004 1075 HA TRP 142 HA TRP 142 11.223 -4.449 -12.446 1076 1HB TRP 142 HB2 TRP 142 12.140 -2.316 -11.680 1077 2HB TRP 142 HB3 TRP 142 10.711 -2.014 -10.702 1078 HD1 TRP 142 HD1 TRP 142 10.501 -4.325 -8.790 1079 HE1 TRP 142 HE1 TRP 142 12.294 -4.934 -7.101 1080 HE3 TRP 142 HE3 TRP 142 14.452 -1.984 -11.025 1081 HZ2 TRP 142 HZ2 TRP 142 15.127 -4.369 -6.709 1082 HZ3 TRP 142 HZ3 TRP 142 16.672 -1.987 -9.943 1083 HH2 TRP 142 HH2 TRP 142 17.031 -3.193 -7.798 1084 H GLU 143 H GLU 143 10.551 -6.130 -11.224 1085 HA GLU 143 HA GLU 143 8.290 -5.928 -9.369 1086 1HB GLU 143 HB2 GLU 143 7.319 -6.723 -11.529 1087 2HB GLU 143 HB3 GLU 143 8.485 -8.053 -11.561 1088 1HG GLU 143 HG2 GLU 143 7.518 -8.971 -9.480 1089 2HG GLU 143 HG3 GLU 143 6.424 -7.591 -9.356 1090 H GLY 144 H GLY 144 8.667 -7.394 -7.606 1091 1HA GLY 144 HA2 GLY 144 9.968 -8.522 -6.103 1092 2HA GLY 144 HA3 GLY 144 10.630 -9.425 -7.471 1093 H ASN 145 H ASN 145 12.698 -9.017 -8.093 1094 HA ASN 145 HA ASN 145 14.187 -6.804 -6.769 1095 1HB ASN 145 HB2 ASN 145 16.020 -8.157 -6.573 1096 2HB ASN 145 HB3 ASN 145 14.726 -9.284 -6.200 1097 1HD2 ASN 145 HD22 ASN 145 17.472 -9.854 -7.185 1098 2HD2 ASN 145 HD21 ASN 145 17.377 -10.471 -8.810 1099 H GLY 146 H GLY 146 12.697 -7.083 -9.555 1100 1HA GLY 146 HA2 GLY 146 12.974 -5.880 -11.492 1101 2HA GLY 146 HA3 GLY 146 14.609 -5.425 -10.986 1102 H GLY 147 H GLY 147 14.421 -8.793 -10.714 1103 1HA GLY 147 HA2 GLY 147 15.083 -10.538 -12.019 1104 2HA GLY 147 HA3 GLY 147 14.827 -9.564 -13.477 1105 H PHE 148 H PHE 148 16.859 -7.873 -11.248 1106 HA PHE 148 HA PHE 148 19.246 -8.278 -12.819 1107 1HB PHE 148 HB2 PHE 148 18.612 -6.886 -10.199 1108 2HB PHE 148 HB3 PHE 148 20.234 -6.944 -10.887 1109 HD1 PHE 148 HD1 PHE 148 17.190 -5.065 -10.768 1110 HD2 PHE 148 HD2 PHE 148 20.445 -6.136 -13.403 1111 HE1 PHE 148 HE1 PHE 148 16.804 -3.018 -12.100 1112 HE2 PHE 148 HE2 PHE 148 19.979 -4.128 -14.785 1113 HZ PHE 148 HZ PHE 148 18.173 -2.550 -14.123 1114 H ALA 149 H ALA 149 21.100 -9.349 -12.081 1115 HA ALA 149 HA ALA 149 20.643 -11.795 -10.563 1116 1HB ALA 149 HB1 ALA 149 23.074 -12.176 -11.009 1117 2HB ALA 149 HB2 ALA 149 22.164 -11.827 -12.490 1118 3HB ALA 149 HB3 ALA 149 23.179 -10.569 -11.756 1119 H GLN 150 H GLN 150 21.496 -12.295 -8.588 1120 HA GLN 150 HA GLN 150 22.053 -10.030 -6.798 1121 1HB GLN 150 HB2 GLN 150 20.296 -11.925 -6.464 1122 2HB GLN 150 HB3 GLN 150 21.660 -12.931 -5.977 1123 1HG GLN 150 HG2 GLN 150 20.928 -10.242 -4.724 1124 2HG GLN 150 HG3 GLN 150 20.332 -11.790 -4.136 1125 1HE2 GLN 150 HE22 GLN 150 23.089 -9.628 -4.242 1126 2HE2 GLN 150 HE21 GLN 150 24.225 -10.708 -3.451 1127 H LEU 151 H LEU 151 24.101 -9.536 -6.304 1128 HA LEU 151 HA LEU 151 26.406 -10.734 -7.340 1129 1HB LEU 151 HB2 LEU 151 26.241 -8.397 -6.534 1130 2HB LEU 151 HB3 LEU 151 25.969 -8.968 -4.892 1131 HG LEU 151 HG LEU 151 28.283 -9.945 -4.872 1132 1HD1 LEU 151 HD11 LEU 151 28.554 -8.550 -7.570 1133 2HD1 LEU 151 HD12 LEU 151 29.888 -9.247 -6.626 1134 3HD1 LEU 151 HD13 LEU 151 28.642 -10.299 -7.300 1135 1HD2 LEU 151 HD21 LEU 151 27.923 -7.000 -5.517 1136 2HD2 LEU 151 HD22 LEU 151 27.874 -7.775 -3.935 1137 3HD2 LEU 151 HD23 LEU 151 29.405 -7.697 -4.820 1138 H ALA 152 H ALA 152 27.589 -12.415 -6.720 1139 HA ALA 152 HA ALA 152 27.677 -13.302 -3.907 1140 1HB ALA 152 HB1 ALA 152 25.856 -14.628 -4.873 1141 2HB ALA 152 HB2 ALA 152 26.926 -15.177 -6.190 1142 3HB ALA 152 HB3 ALA 152 27.259 -15.646 -4.504 1143 H VAL 153 H VAL 153 29.570 -11.880 -4.853 1144 HA VAL 153 HA VAL 153 31.735 -11.609 -5.047 1145 HB VAL 153 HB VAL 153 31.903 -14.582 -4.513 1146 1HG1 VAL 153 HG11 VAL 153 34.041 -12.426 -4.248 1147 2HG1 VAL 153 HG12 VAL 153 34.175 -14.086 -3.623 1148 3HG1 VAL 153 HG13 VAL 153 34.055 -13.816 -5.359 1149 1HG2 VAL 153 HG21 VAL 153 32.295 -13.904 -2.165 1150 2HG2 VAL 153 HG22 VAL 153 32.025 -12.207 -2.606 1151 3HG2 VAL 153 HG23 VAL 153 30.704 -13.390 -2.715 1152 H GLU 154 H GLU 154 30.739 -14.371 -7.020 1153 HA GLU 154 HA GLU 154 31.182 -15.002 -9.127 1154 1HB GLU 154 HB2 GLU 154 31.110 -11.990 -9.491 1155 2HB GLU 154 HB3 GLU 154 31.003 -13.153 -10.825 1156 1HG GLU 154 HG2 GLU 154 28.975 -14.139 -9.848 1157 2HG GLU 154 HG3 GLU 154 29.070 -13.019 -8.481 1158 H GLU 155 H GLU 155 33.502 -14.902 -7.504 1159 HA GLU 155 HA GLU 155 35.385 -15.478 -9.577 1160 1HB GLU 155 HB2 GLU 155 37.252 -14.173 -8.779 1161 2HB GLU 155 HB3 GLU 155 35.954 -13.096 -9.272 1162 1HG GLU 155 HG2 GLU 155 35.360 -12.664 -6.931 1163 2HG GLU 155 HG3 GLU 155 36.546 -13.848 -6.376 1164 H GLU 156 H GLU 156 37.432 -16.471 -8.424 1165 HA GLU 156 HA GLU 156 36.966 -17.569 -5.766 1166 1HB GLU 156 HB2 GLU 156 35.736 -19.147 -7.248 1167 2HB GLU 156 HB3 GLU 156 37.187 -19.363 -8.235 1168 1HG GLU 156 HG2 GLU 156 38.378 -20.325 -6.290 1169 2HG GLU 156 HG3 GLU 156 36.970 -20.032 -5.266 Start of MODEL 11 1 1H MET 1 H1 MET 1 -0.216 2.903 0.081 2 2H MET 1 H2 MET 1 -0.418 2.370 -1.448 3 3H MET 1 H3 MET 1 -0.805 1.397 -0.177 4 HA MET 1 HA MET 1 1.494 1.287 0.508 5 1HB MET 1 HB2 MET 1 1.199 0.576 -2.445 6 2HB MET 1 HB3 MET 1 2.446 -0.004 -1.345 7 1HG MET 1 HG2 MET 1 -0.517 -0.644 -1.267 8 2HG MET 1 HG3 MET 1 0.822 -1.729 -1.604 9 1HE MET 1 HE1 MET 1 -0.090 -3.549 0.027 10 2HE MET 1 HE2 MET 1 -0.586 -3.226 1.703 11 3HE MET 1 HE3 MET 1 -1.498 -2.512 0.355 12 H THR 2 H THR 2 3.680 1.909 0.208 13 HA THR 2 HA THR 2 4.164 4.297 -1.504 14 HB THR 2 HB THR 2 4.951 4.110 1.433 15 HG1 THR 2 HG1 THR 2 2.769 4.309 1.453 16 1HG2 THR 2 HG21 THR 2 6.314 5.619 -0.006 17 2HG2 THR 2 HG22 THR 2 4.839 6.463 -0.511 18 3HG2 THR 2 HG23 THR 2 5.367 6.519 1.189 19 H ASP 3 H ASP 3 5.466 3.146 -2.904 20 HA ASP 3 HA ASP 3 7.758 1.545 -1.915 21 1HB ASP 3 HB2 ASP 3 6.875 2.443 -4.690 22 2HB ASP 3 HB3 ASP 3 8.379 1.598 -4.364 23 H VAL 4 H VAL 4 9.883 2.470 -1.879 24 HA VAL 4 HA VAL 4 10.119 5.349 -2.612 25 HB VAL 4 HB VAL 4 10.872 4.063 0.047 26 1HG1 VAL 4 HG11 VAL 4 12.536 5.794 -0.544 27 2HG1 VAL 4 HG12 VAL 4 11.221 6.952 -0.860 28 3HG1 VAL 4 HG13 VAL 4 11.509 6.331 0.779 29 1HG2 VAL 4 HG21 VAL 4 9.214 5.898 0.873 30 2HG2 VAL 4 HG22 VAL 4 8.681 6.000 -0.797 31 3HG2 VAL 4 HG23 VAL 4 8.512 4.484 0.076 32 H LEU 5 H LEU 5 12.203 6.036 -3.114 33 HA LEU 5 HA LEU 5 14.166 3.891 -3.786 34 1HB LEU 5 HB2 LEU 5 12.985 4.462 -5.803 35 2HB LEU 5 HB3 LEU 5 13.070 6.189 -5.438 36 HG LEU 5 HG LEU 5 15.536 6.158 -5.759 37 1HD1 LEU 5 HD11 LEU 5 16.052 3.816 -5.180 38 2HD1 LEU 5 HD12 LEU 5 15.119 3.250 -6.583 39 3HD1 LEU 5 HD13 LEU 5 16.608 4.192 -6.809 40 1HD2 LEU 5 HD21 LEU 5 13.917 5.010 -8.057 41 2HD2 LEU 5 HD22 LEU 5 14.029 6.722 -7.609 42 3HD2 LEU 5 HD23 LEU 5 15.462 5.879 -8.203 43 H LEU 6 H LEU 6 15.921 4.317 -2.538 44 HA LEU 6 HA LEU 6 16.550 7.111 -1.725 45 1HB LEU 6 HB2 LEU 6 16.219 5.631 0.136 46 2HB LEU 6 HB3 LEU 6 17.263 4.399 -0.587 47 HG LEU 6 HG LEU 6 19.233 5.897 -0.279 48 1HD1 LEU 6 HD11 LEU 6 17.258 7.728 1.130 49 2HD1 LEU 6 HD12 LEU 6 19.026 7.902 1.151 50 3HD1 LEU 6 HD13 LEU 6 18.151 8.093 -0.370 51 1HD2 LEU 6 HD21 LEU 6 17.575 5.371 2.213 52 2HD2 LEU 6 HD22 LEU 6 18.673 4.234 1.419 53 3HD2 LEU 6 HD23 LEU 6 19.326 5.687 2.184 54 H CYS 7 H CYS 7 17.646 7.888 -3.444 55 HA CYS 7 HA CYS 7 19.848 6.420 -4.722 56 1HB CYS 7 HB2 CYS 7 18.846 9.306 -4.734 57 2HB CYS 7 HB3 CYS 7 20.219 8.745 -5.676 58 HG CYS 7 HG CYS 7 17.093 7.639 -5.660 59 H VAL 8 H VAL 8 22.045 6.612 -4.135 60 HA VAL 8 HA VAL 8 22.833 8.606 -2.095 61 HB VAL 8 HB VAL 8 23.654 5.670 -2.021 62 1HG1 VAL 8 HG11 VAL 8 24.520 6.222 0.223 63 2HG1 VAL 8 HG12 VAL 8 25.293 7.208 -1.007 64 3HG1 VAL 8 HG13 VAL 8 24.011 7.914 0.012 65 1HG2 VAL 8 HG21 VAL 8 22.288 5.453 0.057 66 2HG2 VAL 8 HG22 VAL 8 21.544 7.026 -0.309 67 3HG2 VAL 8 HG23 VAL 8 21.330 5.641 -1.406 68 H GLY 9 H GLY 9 25.011 9.341 -2.456 69 1HA GLY 9 HA2 GLY 9 27.159 8.457 -3.668 70 2HA GLY 9 HA3 GLY 9 26.143 8.723 -5.090 71 H ASN 10 H ASN 10 28.417 10.182 -4.930 72 HA ASN 10 HA ASN 10 27.444 12.961 -4.378 73 1HB ASN 10 HB2 ASN 10 29.242 12.347 -2.859 74 2HB ASN 10 HB3 ASN 10 30.241 11.781 -4.191 75 1HD2 ASN 10 HD22 ASN 10 30.058 14.296 -2.095 76 2HD2 ASN 10 HD21 ASN 10 30.674 15.570 -3.115 77 H SER 11 H SER 11 27.042 14.013 -6.192 78 HA SER 11 HA SER 11 27.216 12.959 -8.695 79 1HB SER 11 HB2 SER 11 27.111 15.932 -8.136 80 2HB SER 11 HB3 SER 11 26.237 15.011 -9.371 81 HG SER 11 HG SER 11 24.915 15.603 -7.579 82 H MET 12 H MET 12 29.919 14.454 -7.108 83 HA MET 12 HA MET 12 31.247 14.919 -9.736 84 1HB MET 12 HB2 MET 12 32.374 16.849 -8.836 85 2HB MET 12 HB3 MET 12 30.631 17.080 -8.739 86 1HG MET 12 HG2 MET 12 30.636 16.561 -6.360 87 2HG MET 12 HG3 MET 12 32.361 16.177 -6.392 88 1HE MET 12 HE1 MET 12 34.099 19.618 -6.622 89 2HE MET 12 HE2 MET 12 34.275 17.889 -6.255 90 3HE MET 12 HE3 MET 12 33.846 18.415 -7.902 91 H MET 13 H MET 13 31.163 12.674 -7.487 92 HA MET 13 HA MET 13 34.067 12.626 -6.951 93 1HB MET 13 HB2 MET 13 32.445 12.561 -5.069 94 2HB MET 13 HB3 MET 13 31.893 10.992 -5.644 95 1HG MET 13 HG2 MET 13 34.222 10.122 -5.325 96 2HG MET 13 HG3 MET 13 34.705 11.725 -4.758 97 1HE MET 13 HE1 MET 13 35.728 10.688 -2.671 98 2HE MET 13 HE2 MET 13 34.897 9.575 -1.556 99 3HE MET 13 HE3 MET 13 35.256 9.064 -3.225 100 H GLY 14 H GLY 14 32.938 12.106 -9.637 101 1HA GLY 14 HA2 GLY 14 33.602 10.701 -11.320 102 2HA GLY 14 HA3 GLY 14 34.226 9.546 -10.135 103 H ASP 15 H ASP 15 33.249 7.736 -10.839 104 HA ASP 15 HA ASP 15 30.572 7.445 -11.768 105 1HB ASP 15 HB2 ASP 15 32.550 5.469 -10.593 106 2HB ASP 15 HB3 ASP 15 31.006 5.001 -11.272 107 H ASP 16 H ASP 16 31.801 7.837 -8.585 108 HA ASP 16 HA ASP 16 30.027 6.422 -6.949 109 1HB ASP 16 HB2 ASP 16 32.080 7.664 -6.273 110 2HB ASP 16 HB3 ASP 16 31.218 9.180 -6.562 111 H GLY 17 H GLY 17 29.376 9.284 -8.906 112 1HA GLY 17 HA2 GLY 17 27.106 10.244 -7.429 113 2HA GLY 17 HA3 GLY 17 27.566 10.675 -9.080 114 H ALA 18 H ALA 18 26.851 7.282 -8.124 115 HA ALA 18 HA ALA 18 25.288 6.974 -10.502 116 1HB ALA 18 HB1 ALA 18 25.585 5.183 -8.067 117 2HB ALA 18 HB2 ALA 18 24.860 4.710 -9.614 118 3HB ALA 18 HB3 ALA 18 26.582 5.137 -9.541 119 H GLY 19 H GLY 19 24.348 6.997 -7.014 120 1HA GLY 19 HA2 GLY 19 21.545 6.848 -7.433 121 2HA GLY 19 HA3 GLY 19 22.360 7.507 -6.011 122 HA PRO 20 HA PRO 20 21.586 11.707 -7.087 123 1HB PRO 20 HB2 PRO 20 24.353 12.144 -8.229 124 2HB PRO 20 HB3 PRO 20 23.376 13.228 -7.184 125 1HG PRO 20 HG2 PRO 20 25.308 11.639 -6.116 126 2HG PRO 20 HG3 PRO 20 23.754 11.839 -5.260 127 1HD PRO 20 HD2 PRO 20 24.719 9.503 -6.852 128 2HD PRO 20 HD3 PRO 20 23.619 9.566 -5.449 129 H LEU 21 H LEU 21 23.296 10.094 -9.913 130 HA LEU 21 HA LEU 21 21.978 11.838 -11.804 131 1HB LEU 21 HB2 LEU 21 24.073 10.709 -12.348 132 2HB LEU 21 HB3 LEU 21 23.329 9.133 -12.099 133 HG LEU 21 HG LEU 21 21.805 9.536 -14.034 134 1HD1 LEU 21 HD11 LEU 21 23.351 12.153 -14.298 135 2HD1 LEU 21 HD12 LEU 21 22.311 11.473 -15.566 136 3HD1 LEU 21 HD13 LEU 21 21.605 11.969 -14.027 137 1HD2 LEU 21 HD21 LEU 21 23.493 9.344 -15.797 138 2HD2 LEU 21 HD22 LEU 21 24.735 9.986 -14.698 139 3HD2 LEU 21 HD23 LEU 21 23.973 8.418 -14.366 140 H LEU 22 H LEU 22 21.236 8.624 -10.367 141 HA LEU 22 HA LEU 22 18.949 8.089 -11.987 142 1HB LEU 22 HB2 LEU 22 20.063 6.369 -10.595 143 2HB LEU 22 HB3 LEU 22 19.607 7.228 -9.134 144 HG LEU 22 HG LEU 22 17.238 6.856 -9.564 145 1HD1 LEU 22 HD11 LEU 22 18.204 5.364 -12.059 146 2HD1 LEU 22 HD12 LEU 22 16.560 5.256 -11.400 147 3HD1 LEU 22 HD13 LEU 22 17.144 6.795 -12.015 148 1HD2 LEU 22 HD21 LEU 22 18.527 5.170 -8.302 149 2HD2 LEU 22 HD22 LEU 22 17.214 4.411 -9.219 150 3HD2 LEU 22 HD23 LEU 22 18.881 4.301 -9.814 151 H ALA 23 H ALA 23 19.277 9.678 -8.782 152 HA ALA 23 HA ALA 23 16.572 10.374 -8.397 153 1HB ALA 23 HB1 ALA 23 17.453 12.132 -6.878 154 2HB ALA 23 HB2 ALA 23 18.280 10.598 -6.606 155 3HB ALA 23 HB3 ALA 23 19.087 11.885 -7.523 156 H GLU 24 H GLU 24 19.145 12.168 -10.196 157 HA GLU 24 HA GLU 24 17.552 14.463 -10.738 158 1HB GLU 24 HB2 GLU 24 19.914 14.571 -11.051 159 2HB GLU 24 HB3 GLU 24 19.925 13.198 -12.161 160 1HG GLU 24 HG2 GLU 24 18.785 14.435 -13.877 161 2HG GLU 24 HG3 GLU 24 18.474 15.792 -12.784 162 H LYS 25 H LYS 25 18.056 11.462 -12.603 163 HA LYS 25 HA LYS 25 16.339 12.148 -14.782 164 1HB LYS 25 HB2 LYS 25 17.300 9.530 -13.578 165 2HB LYS 25 HB3 LYS 25 16.260 9.574 -15.014 166 1HG LYS 25 HG2 LYS 25 17.902 10.782 -16.285 167 2HG LYS 25 HG3 LYS 25 18.940 11.005 -14.867 168 1HD LYS 25 HD2 LYS 25 19.284 8.581 -14.681 169 2HD LYS 25 HD3 LYS 25 18.224 8.283 -16.064 170 1HE LYS 25 HE2 LYS 25 20.765 9.971 -16.196 171 2HE LYS 25 HE3 LYS 25 20.728 8.235 -16.535 172 1HZ LYS 25 HZ1 LYS 25 19.170 10.249 -18.050 173 2HZ LYS 25 HZ2 LYS 25 20.548 9.536 -18.561 174 3HZ LYS 25 HZ3 LYS 25 19.207 8.625 -18.335 175 H CYS 26 H CYS 26 15.625 10.298 -11.755 176 HA CYS 26 HA CYS 26 12.866 9.912 -12.397 177 1HB CYS 26 HB2 CYS 26 14.199 10.040 -9.654 178 2HB CYS 26 HB3 CYS 26 12.579 9.408 -10.017 179 HG CYS 26 HG CYS 26 15.529 8.353 -11.038 180 H ALA 27 H ALA 27 14.534 12.601 -10.646 181 HA ALA 27 HA ALA 27 12.159 13.943 -9.910 182 1HB ALA 27 HB1 ALA 27 13.609 15.923 -9.645 183 2HB ALA 27 HB2 ALA 27 14.349 14.478 -8.935 184 3HB ALA 27 HB3 ALA 27 14.920 15.092 -10.505 185 H ALA 28 H ALA 28 14.106 14.060 -12.935 186 HA ALA 28 HA ALA 28 12.674 16.225 -14.106 187 1HB ALA 28 HB1 ALA 28 14.944 15.556 -14.813 188 2HB ALA 28 HB2 ALA 28 14.306 14.007 -15.415 189 3HB ALA 28 HB3 ALA 28 13.810 15.529 -16.178 190 H ALA 29 H ALA 29 12.267 12.701 -14.152 191 HA ALA 29 HA ALA 29 9.547 12.867 -15.257 192 1HB ALA 29 HB1 ALA 29 10.234 11.206 -17.061 193 2HB ALA 29 HB2 ALA 29 10.765 12.884 -17.304 194 3HB ALA 29 HB3 ALA 29 11.922 11.681 -16.720 195 HA PRO 30 HA PRO 30 10.053 9.811 -11.879 196 1HB PRO 30 HB2 PRO 30 7.052 9.901 -12.203 197 2HB PRO 30 HB3 PRO 30 8.022 9.827 -10.695 198 1HG PRO 30 HG2 PRO 30 6.980 12.184 -11.517 199 2HG PRO 30 HG3 PRO 30 8.670 12.117 -10.915 200 1HD PRO 30 HD2 PRO 30 7.695 12.178 -13.779 201 2HD PRO 30 HD3 PRO 30 9.055 13.063 -13.019 202 H LYS 31 H LYS 31 9.188 7.595 -11.462 203 HA LYS 31 HA LYS 31 8.338 6.044 -13.834 204 1HB LYS 31 HB2 LYS 31 10.729 5.438 -12.008 205 2HB LYS 31 HB3 LYS 31 10.026 4.264 -13.094 206 1HG LYS 31 HG2 LYS 31 11.249 6.914 -14.022 207 2HG LYS 31 HG3 LYS 31 12.113 5.388 -13.953 208 1HD LYS 31 HD2 LYS 31 10.402 4.391 -15.513 209 2HD LYS 31 HD3 LYS 31 9.689 6.015 -15.689 210 1HE LYS 31 HE2 LYS 31 11.981 6.807 -16.447 211 2HE LYS 31 HE3 LYS 31 12.510 5.120 -16.409 212 1HZ LYS 31 HZ1 LYS 31 10.522 4.754 -17.991 213 2HZ LYS 31 HZ2 LYS 31 10.550 6.374 -18.215 214 3HZ LYS 31 HZ3 LYS 31 11.862 5.456 -18.602 215 H GLY 32 H GLY 32 7.411 3.988 -13.154 216 1HA GLY 32 HA2 GLY 32 5.897 2.796 -11.901 217 2HA GLY 32 HA3 GLY 32 7.213 2.810 -10.725 218 H ASN 33 H ASN 33 6.533 3.372 -8.780 219 HA ASN 33 HA ASN 33 4.704 5.670 -8.363 220 1HB ASN 33 HB2 ASN 33 3.416 4.453 -6.771 221 2HB ASN 33 HB3 ASN 33 3.448 3.459 -8.220 222 1HD2 ASN 33 HD22 ASN 33 3.246 2.884 -5.105 223 2HD2 ASN 33 HD21 ASN 33 4.430 1.591 -4.895 224 H TRP 34 H TRP 34 7.758 5.055 -8.081 225 HA TRP 34 HA TRP 34 8.273 4.726 -5.286 226 1HB TRP 34 HB2 TRP 34 10.227 5.855 -7.311 227 2HB TRP 34 HB3 TRP 34 10.566 4.960 -5.841 228 HD1 TRP 34 HD1 TRP 34 9.503 4.550 -9.455 229 HE1 TRP 34 HE1 TRP 34 9.742 2.117 -10.219 230 HE3 TRP 34 HE3 TRP 34 10.835 2.432 -4.978 231 HZ2 TRP 34 HZ2 TRP 34 10.638 -0.317 -9.120 232 HZ3 TRP 34 HZ3 TRP 34 11.430 0.029 -4.884 233 HH2 TRP 34 HH2 TRP 34 11.344 -1.373 -6.936 234 H VAL 35 H VAL 35 8.396 6.289 -3.727 235 HA VAL 35 HA VAL 35 8.344 9.146 -4.436 236 HB VAL 35 HB VAL 35 8.977 7.908 -1.726 237 1HG1 VAL 35 HG11 VAL 35 9.612 10.270 -1.931 238 2HG1 VAL 35 HG12 VAL 35 7.992 10.677 -2.540 239 3HG1 VAL 35 HG13 VAL 35 8.207 10.110 -0.873 240 1HG2 VAL 35 HG21 VAL 35 6.263 8.752 -2.846 241 2HG2 VAL 35 HG22 VAL 35 6.745 7.103 -2.392 242 3HG2 VAL 35 HG23 VAL 35 6.588 8.344 -1.148 243 H VAL 36 H VAL 36 10.200 10.112 -5.188 244 HA VAL 36 HA VAL 36 12.743 8.714 -5.118 245 HB VAL 36 HB VAL 36 12.168 11.602 -5.925 246 1HG1 VAL 36 HG11 VAL 36 14.577 11.069 -5.665 247 2HG1 VAL 36 HG12 VAL 36 14.393 9.670 -6.746 248 3HG1 VAL 36 HG13 VAL 36 14.166 11.323 -7.362 249 1HG2 VAL 36 HG21 VAL 36 11.984 10.784 -8.246 250 2HG2 VAL 36 HG22 VAL 36 12.061 9.098 -7.665 251 3HG2 VAL 36 HG23 VAL 36 10.685 10.143 -7.254 252 H ILE 37 H ILE 37 14.349 8.978 -3.608 253 HA ILE 37 HA ILE 37 14.404 11.351 -1.845 254 HB ILE 37 HB ILE 37 14.867 8.444 -1.033 255 1HG1 ILE 37 HG12 ILE 37 12.450 9.041 -1.120 256 2HG1 ILE 37 HG13 ILE 37 13.051 8.525 0.442 257 1HG2 ILE 37 HG21 ILE 37 15.234 9.347 1.271 258 2HG2 ILE 37 HG22 ILE 37 16.486 9.821 0.127 259 3HG2 ILE 37 HG23 ILE 37 15.238 10.985 0.590 260 1HD1 ILE 37 HD11 ILE 37 11.421 10.378 0.603 261 2HD1 ILE 37 HD12 ILE 37 12.973 10.794 1.320 262 3HD1 ILE 37 HD13 ILE 37 12.537 11.435 -0.286 263 H ASP 38 H ASP 38 16.575 11.934 -1.419 264 HA ASP 38 HA ASP 38 18.744 10.470 -2.823 265 1HB ASP 38 HB2 ASP 38 18.251 12.149 -4.435 266 2HB ASP 38 HB3 ASP 38 18.111 13.404 -3.195 267 H GLY 39 H GLY 39 20.059 9.948 -1.238 268 1HA GLY 39 HA2 GLY 39 20.109 11.325 1.328 269 2HA GLY 39 HA3 GLY 39 21.030 9.899 0.821 270 H GLY 40 H GLY 40 21.828 11.789 -1.691 271 1HA GLY 40 HA2 GLY 40 23.587 13.117 -2.214 272 2HA GLY 40 HA3 GLY 40 23.184 13.983 -0.714 273 H SER 41 H SER 41 24.386 10.664 -0.902 274 HA SER 41 HA SER 41 26.040 9.581 0.026 275 1HB SER 41 HB2 SER 41 27.450 11.913 -1.088 276 2HB SER 41 HB3 SER 41 28.338 11.081 0.194 277 HG SER 41 HG SER 41 28.767 10.079 -1.749 278 H ALA 42 H ALA 42 24.360 11.594 1.748 279 HA ALA 42 HA ALA 42 25.644 10.739 4.266 280 1HB ALA 42 HB1 ALA 42 25.043 12.887 5.329 281 2HB ALA 42 HB2 ALA 42 26.236 13.124 4.038 282 3HB ALA 42 HB3 ALA 42 24.528 13.535 3.756 283 HA PRO 43 HA PRO 43 21.158 9.927 3.167 284 1HB PRO 43 HB2 PRO 43 21.023 7.202 3.188 285 2HB PRO 43 HB3 PRO 43 21.716 8.094 1.811 286 1HG PRO 43 HG2 PRO 43 23.236 6.843 4.123 287 2HG PRO 43 HG3 PRO 43 23.531 6.637 2.370 288 1HD PRO 43 HD2 PRO 43 24.915 8.470 3.842 289 2HD PRO 43 HD3 PRO 43 24.399 8.821 2.166 290 H GLU 44 H GLU 44 23.182 8.713 5.797 291 HA GLU 44 HA GLU 44 21.110 7.661 7.439 292 1HB GLU 44 HB2 GLU 44 22.920 8.034 9.281 293 2HB GLU 44 HB3 GLU 44 23.065 6.793 8.051 294 1HG GLU 44 HG2 GLU 44 25.209 7.818 8.418 295 2HG GLU 44 HG3 GLU 44 24.671 8.127 6.776 296 H ASN 45 H ASN 45 22.366 10.934 7.032 297 HA ASN 45 HA ASN 45 20.996 12.155 9.195 298 1HB ASN 45 HB2 ASN 45 22.061 13.120 6.530 299 2HB ASN 45 HB3 ASN 45 20.991 14.166 7.435 300 1HD2 ASN 45 HD22 ASN 45 24.072 12.287 7.838 301 2HD2 ASN 45 HD21 ASN 45 24.738 13.424 8.988 302 H ASP 46 H ASP 46 19.631 10.640 6.386 303 HA ASP 46 HA ASP 46 17.179 12.308 6.547 304 1HB ASP 46 HB2 ASP 46 18.715 12.269 4.458 305 2HB ASP 46 HB3 ASP 46 18.068 10.650 4.184 306 H ILE 47 H ILE 47 18.267 9.317 7.530 307 HA ILE 47 HA ILE 47 16.248 7.464 6.968 308 HB ILE 47 HB ILE 47 17.881 8.042 9.459 309 1HG1 ILE 47 HG12 ILE 47 18.050 5.796 7.392 310 2HG1 ILE 47 HG13 ILE 47 18.985 7.273 7.317 311 1HG2 ILE 47 HG21 ILE 47 15.990 5.690 9.038 312 2HG2 ILE 47 HG22 ILE 47 17.229 5.774 10.312 313 3HG2 ILE 47 HG23 ILE 47 15.903 6.920 10.307 314 1HD1 ILE 47 HD11 ILE 47 19.972 6.716 9.572 315 2HD1 ILE 47 HD12 ILE 47 19.180 5.123 9.450 316 3HD1 ILE 47 HD13 ILE 47 20.398 5.600 8.264 317 H VAL 48 H VAL 48 16.107 10.281 9.172 318 HA VAL 48 HA VAL 48 13.680 9.701 10.463 319 HB VAL 48 HB VAL 48 14.784 12.417 9.616 320 1HG1 VAL 48 HG11 VAL 48 12.868 11.676 11.875 321 2HG1 VAL 48 HG12 VAL 48 13.566 13.287 11.593 322 3HG1 VAL 48 HG13 VAL 48 12.457 12.593 10.408 323 1HG2 VAL 48 HG21 VAL 48 15.799 12.468 11.901 324 2HG2 VAL 48 HG22 VAL 48 15.311 10.776 12.137 325 3HG2 VAL 48 HG23 VAL 48 16.502 11.211 10.890 326 H ALA 49 H ALA 49 14.258 11.103 7.195 327 HA ALA 49 HA ALA 49 11.518 11.854 6.779 328 1HB ALA 49 HB1 ALA 49 13.415 12.894 5.547 329 2HB ALA 49 HB2 ALA 49 13.745 11.334 4.759 330 3HB ALA 49 HB3 ALA 49 12.219 12.178 4.442 331 H ILE 50 H ILE 50 13.526 9.024 5.966 332 HA ILE 50 HA ILE 50 11.545 7.610 4.474 333 HB ILE 50 HB ILE 50 13.786 6.414 6.157 334 1HG1 ILE 50 HG12 ILE 50 13.955 7.412 3.275 335 2HG1 ILE 50 HG13 ILE 50 14.711 8.187 4.664 336 1HG2 ILE 50 HG21 ILE 50 13.667 4.561 4.537 337 2HG2 ILE 50 HG22 ILE 50 12.083 4.819 5.255 338 3HG2 ILE 50 HG23 ILE 50 12.419 5.422 3.616 339 1HD1 ILE 50 HD11 ILE 50 15.453 5.494 3.509 340 2HD1 ILE 50 HD12 ILE 50 16.415 6.980 3.582 341 3HD1 ILE 50 HD13 ILE 50 16.048 6.102 5.076 342 H ARG 51 H ARG 51 12.317 7.746 7.979 343 HA ARG 51 HA ARG 51 10.317 5.840 8.759 344 1HB ARG 51 HB2 ARG 51 11.820 8.000 10.290 345 2HB ARG 51 HB3 ARG 51 10.639 6.926 11.048 346 1HG ARG 51 HG2 ARG 51 11.919 4.944 10.363 347 2HG ARG 51 HG3 ARG 51 13.129 5.969 9.567 348 1HD ARG 51 HD2 ARG 51 13.736 6.997 11.691 349 2HD ARG 51 HD3 ARG 51 12.431 6.124 12.523 350 HE ARG 51 HE ARG 51 14.111 4.228 11.235 351 1HH1 ARG 51 HH11 ARG 51 14.243 6.489 13.980 352 2HH1 ARG 51 HH12 ARG 51 15.302 5.501 14.912 353 1HH2 ARG 51 HH21 ARG 51 15.456 2.925 12.454 354 2HH2 ARG 51 HH22 ARG 51 16.016 3.406 14.032 355 H GLU 52 H GLU 52 9.967 9.245 7.817 356 HA GLU 52 HA GLU 52 7.325 9.449 9.044 357 1HB GLU 52 HB2 GLU 52 8.548 10.985 6.707 358 2HB GLU 52 HB3 GLU 52 6.965 11.296 7.384 359 1HG GLU 52 HG2 GLU 52 9.576 11.557 8.917 360 2HG GLU 52 HG3 GLU 52 8.696 12.871 8.154 361 H LEU 53 H LEU 53 8.644 8.555 5.794 362 HA LEU 53 HA LEU 53 6.080 8.133 4.637 363 1HB LEU 53 HB2 LEU 53 8.772 6.977 3.807 364 2HB LEU 53 HB3 LEU 53 7.312 7.008 2.824 365 HG LEU 53 HG LEU 53 8.961 9.398 3.729 366 1HD1 LEU 53 HD11 LEU 53 8.355 8.263 0.973 367 2HD1 LEU 53 HD12 LEU 53 9.320 9.713 1.325 368 3HD1 LEU 53 HD13 LEU 53 9.895 8.128 1.856 369 1HD2 LEU 53 HD21 LEU 53 6.665 10.153 3.805 370 2HD2 LEU 53 HD22 LEU 53 7.422 10.794 2.352 371 3HD2 LEU 53 HD23 LEU 53 6.317 9.405 2.222 372 H ARG 54 H ARG 54 8.098 6.020 6.562 373 HA ARG 54 HA ARG 54 8.134 3.791 6.980 374 1HB ARG 54 HB2 ARG 54 5.138 4.208 7.282 375 2HB ARG 54 HB3 ARG 54 6.043 2.789 7.826 376 1HG ARG 54 HG2 ARG 54 7.432 4.287 9.304 377 2HG ARG 54 HG3 ARG 54 6.400 5.642 8.807 378 1HD ARG 54 HD2 ARG 54 5.630 4.840 10.940 379 2HD ARG 54 HD3 ARG 54 4.418 4.473 9.701 380 HE ARG 54 HE ARG 54 6.308 2.289 10.186 381 1HH1 ARG 54 HH11 ARG 54 3.254 3.756 11.301 382 2HH1 ARG 54 HH12 ARG 54 2.666 2.312 12.035 383 1HH2 ARG 54 HH21 ARG 54 5.560 0.399 11.216 384 2HH2 ARG 54 HH22 ARG 54 3.993 0.350 11.968 385 HA PRO 55 HA PRO 55 7.062 3.184 2.484 386 1HB PRO 55 HB2 PRO 55 9.650 1.643 2.622 387 2HB PRO 55 HB3 PRO 55 9.046 2.704 1.326 388 1HG PRO 55 HG2 PRO 55 10.924 3.599 3.081 389 2HG PRO 55 HG3 PRO 55 9.593 4.665 2.572 390 1HD PRO 55 HD2 PRO 55 9.862 3.208 5.166 391 2HD PRO 55 HD3 PRO 55 9.205 4.812 4.788 392 H THR 56 H THR 56 6.091 1.448 1.468 393 HA THR 56 HA THR 56 5.616 -1.047 2.863 394 HB THR 56 HB THR 56 5.266 -0.389 -0.093 395 HG1 THR 56 HG1 THR 56 3.566 0.192 2.102 396 1HG2 THR 56 HG21 THR 56 3.693 -2.267 1.721 397 2HG2 THR 56 HG22 THR 56 3.408 -1.975 -0.011 398 3HG2 THR 56 HG23 THR 56 4.897 -2.770 0.515 399 H ARG 57 H ARG 57 7.780 0.148 0.290 400 HA ARG 57 HA ARG 57 9.667 -2.026 0.838 401 1HB ARG 57 HB2 ARG 57 8.718 -1.389 -1.992 402 2HB ARG 57 HB3 ARG 57 10.086 -2.422 -1.572 403 1HG ARG 57 HG2 ARG 57 8.488 -3.931 -0.329 404 2HG ARG 57 HG3 ARG 57 7.151 -2.986 -1.002 405 1HD ARG 57 HD2 ARG 57 9.253 -4.527 -2.586 406 2HD ARG 57 HD3 ARG 57 7.561 -5.003 -2.340 407 HE ARG 57 HE ARG 57 7.701 -2.373 -3.510 408 1HH1 ARG 57 HH11 ARG 57 8.076 -5.791 -4.445 409 2HH1 ARG 57 HH12 ARG 57 7.816 -5.480 -6.130 410 1HH2 ARG 57 HH21 ARG 57 7.353 -1.969 -5.553 411 2HH2 ARG 57 HH22 ARG 57 7.347 -3.198 -6.811 412 H LEU 58 H LEU 58 11.784 -1.438 0.191 413 HA LEU 58 HA LEU 58 12.171 1.388 -0.693 414 1HB LEU 58 HB2 LEU 58 12.399 1.395 1.715 415 2HB LEU 58 HB3 LEU 58 13.453 -0.024 1.672 416 HG LEU 58 HG LEU 58 15.202 1.300 0.526 417 1HD1 LEU 58 HD11 LEU 58 15.004 3.777 0.459 418 2HD1 LEU 58 HD12 LEU 58 13.877 3.005 -0.642 419 3HD1 LEU 58 HD13 LEU 58 13.293 3.650 0.911 420 1HD2 LEU 58 HD21 LEU 58 14.197 2.623 3.077 421 2HD2 LEU 58 HD22 LEU 58 15.161 1.135 3.004 422 3HD2 LEU 58 HD23 LEU 58 15.858 2.663 2.447 423 H LEU 59 H LEU 59 13.770 1.599 -2.165 424 HA LEU 59 HA LEU 59 15.590 -0.695 -2.727 425 1HB LEU 59 HB2 LEU 59 13.944 -0.631 -4.514 426 2HB LEU 59 HB3 LEU 59 14.069 1.128 -4.633 427 HG LEU 59 HG LEU 59 16.369 0.952 -5.492 428 1HD1 LEU 59 HD11 LEU 59 17.285 -1.251 -6.187 429 2HD1 LEU 59 HD12 LEU 59 17.146 -1.141 -4.435 430 3HD1 LEU 59 HD13 LEU 59 15.941 -2.064 -5.358 431 1HD2 LEU 59 HD21 LEU 59 14.448 0.963 -7.043 432 2HD2 LEU 59 HD22 LEU 59 15.801 0.022 -7.691 433 3HD2 LEU 59 HD23 LEU 59 14.391 -0.806 -6.996 434 H ILE 60 H ILE 60 17.697 -0.035 -2.606 435 HA ILE 60 HA ILE 60 18.242 2.875 -2.474 436 HB ILE 60 HB ILE 60 19.720 0.589 -1.155 437 1HG1 ILE 60 HG12 ILE 60 17.764 2.419 0.297 438 2HG1 ILE 60 HG13 ILE 60 17.326 0.815 -0.267 439 1HG2 ILE 60 HG21 ILE 60 21.050 2.654 -1.471 440 2HG2 ILE 60 HG22 ILE 60 19.779 3.612 -0.698 441 3HG2 ILE 60 HG23 ILE 60 20.709 2.438 0.242 442 1HD1 ILE 60 HD11 ILE 60 19.038 -0.233 1.055 443 2HD1 ILE 60 HD12 ILE 60 19.517 1.345 1.742 444 3HD1 ILE 60 HD13 ILE 60 17.896 0.700 2.044 445 H VAL 61 H VAL 61 20.012 3.640 -3.727 446 HA VAL 61 HA VAL 61 21.398 1.640 -5.447 447 HB VAL 61 HB VAL 61 19.926 4.091 -6.480 448 1HG1 VAL 61 HG11 VAL 61 21.580 1.942 -7.864 449 2HG1 VAL 61 HG12 VAL 61 20.497 3.046 -8.737 450 3HG1 VAL 61 HG13 VAL 61 21.874 3.690 -7.846 451 1HG2 VAL 61 HG21 VAL 61 19.203 1.151 -6.751 452 2HG2 VAL 61 HG22 VAL 61 18.259 2.419 -5.944 453 3HG2 VAL 61 HG23 VAL 61 18.467 2.462 -7.693 454 H ASP 62 H ASP 62 23.478 2.087 -5.816 455 HA ASP 62 HA ASP 62 24.653 4.720 -5.881 456 1HB ASP 62 HB2 ASP 62 24.475 4.253 -3.432 457 2HB ASP 62 HB3 ASP 62 25.454 2.804 -3.664 458 H ALA 63 H ALA 63 27.190 4.216 -6.147 459 HA ALA 63 HA ALA 63 27.591 1.979 -8.022 460 1HB ALA 63 HB1 ALA 63 29.540 3.998 -6.815 461 2HB ALA 63 HB2 ALA 63 29.909 2.829 -8.102 462 3HB ALA 63 HB3 ALA 63 28.751 4.136 -8.407 463 H THR 64 H THR 64 29.213 0.270 -7.494 464 HA THR 64 HA THR 64 30.165 0.034 -4.745 465 HB THR 64 HB THR 64 28.442 -2.223 -5.865 466 HG1 THR 64 HG1 THR 64 27.677 0.044 -4.483 467 1HG2 THR 64 HG21 THR 64 28.418 -2.933 -3.471 468 2HG2 THR 64 HG22 THR 64 30.048 -2.901 -4.158 469 3HG2 THR 64 HG23 THR 64 29.511 -1.592 -3.080 470 H ASP 65 H ASP 65 32.205 -1.014 -4.885 471 HA ASP 65 HA ASP 65 33.043 -1.946 -7.556 472 1HB ASP 65 HB2 ASP 65 34.678 -0.730 -6.184 473 2HB ASP 65 HB3 ASP 65 34.551 -1.966 -4.921 474 H MET 66 H MET 66 32.708 -3.948 -8.202 475 HA MET 66 HA MET 66 32.095 -6.098 -6.231 476 1HB MET 66 HB2 MET 66 30.940 -5.453 -8.992 477 2HB MET 66 HB3 MET 66 30.585 -6.920 -8.073 478 1HG MET 66 HG2 MET 66 29.720 -5.568 -6.200 479 2HG MET 66 HG3 MET 66 30.045 -4.092 -7.078 480 1HE MET 66 HE1 MET 66 28.737 -3.076 -8.858 481 2HE MET 66 HE2 MET 66 29.146 -4.403 -9.958 482 3HE MET 66 HE3 MET 66 27.454 -3.857 -9.825 483 H GLY 67 H GLY 67 34.511 -5.050 -8.281 484 1HA GLY 67 HA2 GLY 67 36.244 -6.073 -9.345 485 2HA GLY 67 HA3 GLY 67 35.801 -7.599 -8.556 486 H LEU 68 H LEU 68 33.506 -5.817 -10.575 487 HA LEU 68 HA LEU 68 33.549 -8.008 -12.614 488 1HB LEU 68 HB2 LEU 68 31.347 -5.993 -12.038 489 2HB LEU 68 HB3 LEU 68 31.276 -7.374 -13.145 490 HG LEU 68 HG LEU 68 31.529 -7.614 -10.158 491 1HD1 LEU 68 HD11 LEU 68 29.159 -8.348 -10.247 492 2HD1 LEU 68 HD12 LEU 68 29.362 -6.667 -10.765 493 3HD1 LEU 68 HD13 LEU 68 29.120 -7.940 -11.977 494 1HD2 LEU 68 HD21 LEU 68 30.937 -9.986 -10.530 495 2HD2 LEU 68 HD22 LEU 68 31.004 -9.728 -12.288 496 3HD2 LEU 68 HD23 LEU 68 32.473 -9.573 -11.293 497 H ASN 69 H ASN 69 32.280 -6.591 -14.640 498 HA ASN 69 HA ASN 69 34.492 -4.829 -15.538 499 1HB ASN 69 HB2 ASN 69 33.607 -4.857 -17.737 500 2HB ASN 69 HB3 ASN 69 33.708 -6.508 -17.157 501 1HD2 ASN 69 HD22 ASN 69 31.300 -3.780 -17.723 502 2HD2 ASN 69 HD21 ASN 69 30.015 -4.890 -18.070 503 HA PRO 70 HA PRO 70 32.451 -1.019 -14.493 504 1HB PRO 70 HB2 PRO 70 33.057 -0.271 -17.366 505 2HB PRO 70 HB3 PRO 70 33.203 0.732 -15.891 506 1HG PRO 70 HG2 PRO 70 35.402 -0.447 -16.915 507 2HG PRO 70 HG3 PRO 70 35.110 -0.547 -15.147 508 1HD PRO 70 HD2 PRO 70 34.569 -2.654 -17.247 509 2HD PRO 70 HD3 PRO 70 35.283 -2.830 -15.614 510 H GLY 71 H GLY 71 30.343 -0.384 -14.463 511 1HA GLY 71 HA2 GLY 71 28.232 0.086 -15.240 512 2HA GLY 71 HA3 GLY 71 28.669 -0.496 -16.850 513 H GLU 72 H GLU 72 29.518 -3.016 -14.693 514 HA GLU 72 HA GLU 72 27.179 -4.596 -15.230 515 1HB GLU 72 HB2 GLU 72 29.612 -4.831 -13.444 516 2HB GLU 72 HB3 GLU 72 28.246 -5.892 -13.147 517 1HG GLU 72 HG2 GLU 72 29.208 -5.634 -15.985 518 2HG GLU 72 HG3 GLU 72 30.182 -6.571 -14.856 519 H ILE 73 H ILE 73 25.549 -5.152 -13.773 520 HA ILE 73 HA ILE 73 24.969 -3.210 -11.581 521 HB ILE 73 HB ILE 73 23.066 -4.365 -13.683 522 1HG1 ILE 73 HG12 ILE 73 23.923 -1.454 -13.421 523 2HG1 ILE 73 HG13 ILE 73 24.626 -2.572 -14.585 524 1HG2 ILE 73 HG21 ILE 73 21.425 -2.752 -12.657 525 2HG2 ILE 73 HG22 ILE 73 21.944 -3.999 -11.539 526 3HG2 ILE 73 HG23 ILE 73 22.647 -2.370 -11.427 527 1HD1 ILE 73 HD11 ILE 73 22.395 -2.965 -15.594 528 2HD1 ILE 73 HD12 ILE 73 21.732 -1.676 -14.556 529 3HD1 ILE 73 HD13 ILE 73 22.987 -1.308 -15.741 530 H ARG 74 H ARG 74 24.209 -4.249 -9.681 531 HA ARG 74 HA ARG 74 23.167 -7.004 -9.930 532 1HB ARG 74 HB2 ARG 74 25.526 -6.230 -8.156 533 2HB ARG 74 HB3 ARG 74 24.610 -7.721 -8.000 534 1HG ARG 74 HG2 ARG 74 26.249 -6.984 -10.447 535 2HG ARG 74 HG3 ARG 74 26.776 -8.028 -9.130 536 1HD ARG 74 HD2 ARG 74 24.902 -9.586 -9.563 537 2HD ARG 74 HD3 ARG 74 24.370 -8.586 -10.919 538 HE ARG 74 HE ARG 74 26.741 -10.346 -10.765 539 1HH1 ARG 74 HH21 ARG 74 25.181 -7.746 -12.672 540 2HH1 ARG 74 HH22 ARG 74 26.230 -8.007 -14.045 541 1HH2 ARG 74 HH11 ARG 74 28.018 -10.626 -12.418 542 2HH2 ARG 74 HH12 ARG 74 27.960 -9.618 -13.881 543 H ILE 75 H ILE 75 21.939 -7.675 -8.200 544 HA ILE 75 HA ILE 75 20.995 -5.668 -6.238 545 HB ILE 75 HB ILE 75 20.366 -8.633 -6.672 546 1HG1 ILE 75 HG12 ILE 75 19.624 -7.378 -8.592 547 2HG1 ILE 75 HG13 ILE 75 18.253 -7.927 -7.662 548 1HG2 ILE 75 HG21 ILE 75 19.847 -8.100 -4.377 549 2HG2 ILE 75 HG22 ILE 75 18.992 -6.620 -4.849 550 3HG2 ILE 75 HG23 ILE 75 18.337 -8.218 -5.284 551 1HD1 ILE 75 HD11 ILE 75 19.398 -5.100 -7.626 552 2HD1 ILE 75 HD12 ILE 75 17.920 -5.620 -8.444 553 3HD1 ILE 75 HD13 ILE 75 17.998 -5.650 -6.674 554 H ILE 76 H ILE 76 21.628 -5.805 -3.998 555 HA ILE 76 HA ILE 76 23.684 -7.874 -3.368 556 HB ILE 76 HB ILE 76 23.906 -5.070 -2.293 557 1HG1 ILE 76 HG12 ILE 76 25.239 -6.111 -4.835 558 2HG1 ILE 76 HG13 ILE 76 24.083 -4.778 -4.727 559 1HG2 ILE 76 HG21 ILE 76 25.042 -7.068 -1.197 560 2HG2 ILE 76 HG22 ILE 76 25.927 -7.334 -2.695 561 3HG2 ILE 76 HG23 ILE 76 26.183 -5.852 -1.752 562 1HD1 ILE 76 HD11 ILE 76 26.292 -3.862 -4.948 563 2HD1 ILE 76 HD12 ILE 76 25.694 -3.496 -3.315 564 3HD1 ILE 76 HD13 ILE 76 26.896 -4.784 -3.576 565 H ASP 77 H ASP 77 23.176 -9.025 -1.620 566 HA ASP 77 HA ASP 77 20.863 -8.401 0.041 567 1HB ASP 77 HB2 ASP 77 21.473 -10.716 -0.583 568 2HB ASP 77 HB3 ASP 77 23.016 -10.547 0.257 569 HA PRO 78 HA PRO 78 23.047 -5.840 3.022 570 1HB PRO 78 HB2 PRO 78 21.475 -7.507 4.999 571 2HB PRO 78 HB3 PRO 78 21.789 -5.742 5.031 572 1HG PRO 78 HG2 PRO 78 19.440 -6.644 4.069 573 2HG PRO 78 HG3 PRO 78 20.330 -5.369 3.174 574 1HD PRO 78 HD2 PRO 78 20.159 -8.309 2.567 575 2HD PRO 78 HD3 PRO 78 20.152 -6.907 1.453 576 H ASP 79 H ASP 79 23.122 -9.371 3.552 577 HA ASP 79 HA ASP 79 25.268 -9.293 5.500 578 1HB ASP 79 HB2 ASP 79 23.728 -11.207 5.272 579 2HB ASP 79 HB3 ASP 79 24.342 -11.517 3.643 580 H ASP 80 H ASP 80 25.138 -9.064 2.012 581 HA ASP 80 HA ASP 80 28.024 -9.682 1.705 582 1HB ASP 80 HB2 ASP 80 26.355 -10.844 0.260 583 2HB ASP 80 HB3 ASP 80 25.857 -9.283 -0.389 584 H ILE 81 H ILE 81 25.661 -7.059 1.424 585 HA ILE 81 HA ILE 81 27.217 -4.963 0.343 586 HB ILE 81 HB ILE 81 25.167 -4.999 2.595 587 1HG1 ILE 81 HG12 ILE 81 24.976 -4.146 -0.324 588 2HG1 ILE 81 HG13 ILE 81 24.329 -5.626 0.376 589 1HG2 ILE 81 HG21 ILE 81 26.582 -2.941 2.866 590 2HG2 ILE 81 HG22 ILE 81 26.126 -2.470 1.215 591 3HG2 ILE 81 HG23 ILE 81 24.901 -2.609 2.486 592 1HD1 ILE 81 HD11 ILE 81 22.451 -4.297 0.242 593 2HD1 ILE 81 HD12 ILE 81 22.934 -4.060 1.920 594 3HD1 ILE 81 HD13 ILE 81 23.318 -2.818 0.716 595 H ALA 82 H ALA 82 27.206 -6.373 3.575 596 HA ALA 82 HA ALA 82 28.721 -4.541 4.959 597 1HB ALA 82 HB1 ALA 82 27.456 -6.458 5.930 598 2HB ALA 82 HB2 ALA 82 28.691 -7.569 5.273 599 3HB ALA 82 HB3 ALA 82 29.125 -6.401 6.541 600 H GLU 83 H GLU 83 29.952 -6.720 2.525 601 HA GLU 83 HA GLU 83 32.750 -5.973 3.323 602 1HB GLU 83 HB2 GLU 83 31.771 -8.506 1.952 603 2HB GLU 83 HB3 GLU 83 33.466 -8.019 2.100 604 1HG GLU 83 HG2 GLU 83 33.219 -7.998 4.593 605 2HG GLU 83 HG3 GLU 83 31.571 -8.605 4.417 606 H MET 84 H MET 84 30.368 -6.382 0.715 607 HA MET 84 HA MET 84 32.220 -5.654 -1.362 608 1HB MET 84 HB2 MET 84 29.181 -5.726 -1.289 609 2HB MET 84 HB3 MET 84 30.121 -5.368 -2.744 610 1HG MET 84 HG2 MET 84 30.423 -7.921 -1.104 611 2HG MET 84 HG3 MET 84 29.448 -7.754 -2.541 612 1HE MET 84 HE1 MET 84 32.492 -9.264 -1.329 613 2HE MET 84 HE2 MET 84 33.847 -8.747 -2.355 614 3HE MET 84 HE3 MET 84 33.178 -7.634 -1.146 615 H PHE 85 H PHE 85 30.296 -3.633 0.827 616 HA PHE 85 HA PHE 85 30.736 -1.279 -0.814 617 1HB PHE 85 HB2 PHE 85 29.548 -1.794 1.861 618 2HB PHE 85 HB3 PHE 85 30.404 -0.266 1.696 619 HD1 PHE 85 HD1 PHE 85 28.010 -2.420 -0.296 620 HD2 PHE 85 HD2 PHE 85 29.326 1.560 0.745 621 HE1 PHE 85 HE1 PHE 85 26.476 -1.455 -1.996 622 HE2 PHE 85 HE2 PHE 85 27.801 2.509 -0.972 623 HZ PHE 85 HZ PHE 85 26.443 0.995 -2.387 624 H MET 86 H MET 86 32.528 -2.658 1.986 625 HA MET 86 HA MET 86 34.456 -0.524 1.824 626 1HB MET 86 HB2 MET 86 35.861 -1.918 3.326 627 2HB MET 86 HB3 MET 86 34.259 -1.474 3.930 628 1HG MET 86 HG2 MET 86 33.433 -3.747 3.417 629 2HG MET 86 HG3 MET 86 34.992 -4.165 2.699 630 1HE MET 86 HE1 MET 86 32.983 -3.421 5.967 631 2HE MET 86 HE2 MET 86 34.213 -3.568 7.239 632 3HE MET 86 HE3 MET 86 34.247 -2.180 6.136 633 H MET 87 H MET 87 34.034 -3.296 -0.166 634 HA MET 87 HA MET 87 36.688 -3.824 -0.935 635 1HB MET 87 HB2 MET 87 34.653 -5.154 -1.533 636 2HB MET 87 HB3 MET 87 34.192 -3.880 -2.677 637 1HG MET 87 HG2 MET 87 36.199 -4.265 -3.987 638 2HG MET 87 HG3 MET 87 36.790 -5.445 -2.809 639 1HE MET 87 HE1 MET 87 36.516 -5.835 -6.042 640 2HE MET 87 HE2 MET 87 37.254 -7.016 -4.933 641 3HE MET 87 HE3 MET 87 35.989 -7.533 -6.070 642 H THR 88 H THR 88 34.692 -0.987 -1.590 643 HA THR 88 HA THR 88 36.027 0.007 -3.904 644 HB THR 88 HB THR 88 35.044 2.180 -3.127 645 HG1 THR 88 HG1 THR 88 33.726 0.751 -1.064 646 1HG2 THR 88 HG21 THR 88 33.123 -0.191 -3.123 647 2HG2 THR 88 HG22 THR 88 32.667 1.518 -3.311 648 3HG2 THR 88 HG23 THR 88 33.681 0.742 -4.536 649 H THR 89 H THR 89 36.229 1.682 -0.824 650 HA THR 89 HA THR 89 39.087 1.349 -0.408 651 HB THR 89 HB THR 89 39.262 3.989 -0.328 652 HG1 THR 89 HG1 THR 89 37.132 4.491 -0.777 653 1HG2 THR 89 HG21 THR 89 40.474 2.527 -1.992 654 2HG2 THR 89 HG22 THR 89 39.155 2.867 -3.138 655 3HG2 THR 89 HG23 THR 89 40.143 4.188 -2.497 656 H HIS 90 H HIS 90 37.374 0.242 1.107 657 HA HIS 90 HA HIS 90 36.414 0.069 3.079 658 1HB HIS 90 HB2 HIS 90 38.833 0.649 3.647 659 2HB HIS 90 HB3 HIS 90 38.213 2.208 4.185 660 HD1 HIS 90 HD1 HIS 90 35.933 1.703 6.019 661 HD2 HIS 90 HD2 HIS 90 39.015 -1.115 5.523 662 HE1 HIS 90 HE1 HIS 90 35.853 0.180 8.079 663 H ASN 91 H ASN 91 34.897 1.615 1.307 664 HA ASN 91 HA ASN 91 33.671 3.841 2.668 665 1HB ASN 91 HB2 ASN 91 33.292 3.141 0.220 666 2HB ASN 91 HB3 ASN 91 32.250 1.849 0.864 667 1HD2 ASN 91 HD22 ASN 91 30.802 3.224 -0.719 668 2HD2 ASN 91 HD21 ASN 91 29.878 4.488 0.051 669 H MET 92 H MET 92 31.707 3.760 3.915 670 HA MET 92 HA MET 92 31.820 1.901 6.010 671 1HB MET 92 HB2 MET 92 29.558 3.776 5.191 672 2HB MET 92 HB3 MET 92 29.621 2.866 6.700 673 1HG MET 92 HG2 MET 92 30.346 5.032 7.242 674 2HG MET 92 HG3 MET 92 31.755 3.987 7.295 675 1HE MET 92 HE1 MET 92 29.969 5.811 4.168 676 2HE MET 92 HE2 MET 92 29.911 6.946 5.538 677 3HE MET 92 HE3 MET 92 30.940 7.294 4.132 678 HA PRO 93 HA PRO 93 29.463 -1.512 4.268 679 1HB PRO 93 HB2 PRO 93 28.957 -2.963 6.526 680 2HB PRO 93 HB3 PRO 93 30.607 -2.758 5.863 681 1HG PRO 93 HG2 PRO 93 29.304 -1.204 8.116 682 2HG PRO 93 HG3 PRO 93 30.925 -1.969 8.086 683 1HD PRO 93 HD2 PRO 93 30.510 0.694 7.524 684 2HD PRO 93 HD3 PRO 93 31.806 -0.258 6.727 685 H LEU 94 H LEU 94 27.877 0.105 3.645 686 HA LEU 94 HA LEU 94 26.063 1.357 5.127 687 1HB LEU 94 HB2 LEU 94 26.553 0.944 2.334 688 2HB LEU 94 HB3 LEU 94 24.807 0.943 2.574 689 HG LEU 94 HG LEU 94 26.699 3.065 3.691 690 1HD1 LEU 94 HD11 LEU 94 24.982 3.153 1.166 691 2HD1 LEU 94 HD12 LEU 94 25.893 4.521 1.850 692 3HD1 LEU 94 HD13 LEU 94 26.756 3.105 1.241 693 1HD2 LEU 94 HD21 LEU 94 24.540 2.973 4.910 694 2HD2 LEU 94 HD22 LEU 94 24.637 4.441 3.939 695 3HD2 LEU 94 HD23 LEU 94 23.654 3.069 3.378 696 H ASN 95 H ASN 95 25.731 -1.951 4.956 697 HA ASN 95 HA ASN 95 22.919 -2.260 5.203 698 1HB ASN 95 HB2 ASN 95 23.287 -4.347 6.005 699 2HB ASN 95 HB3 ASN 95 24.816 -4.107 5.171 700 1HD2 ASN 95 HD22 ASN 95 26.490 -2.789 7.021 701 2HD2 ASN 95 HD21 ASN 95 26.535 -3.718 8.487 702 H TYR 96 H TYR 96 25.228 -0.687 7.373 703 HA TYR 96 HA TYR 96 23.733 -0.848 9.768 704 1HB TYR 96 HB2 TYR 96 25.039 0.918 10.578 705 2HB TYR 96 HB3 TYR 96 26.095 0.034 9.496 706 HD1 TYR 96 HD1 TYR 96 24.161 3.165 10.003 707 HD2 TYR 96 HD2 TYR 96 26.979 1.119 7.468 708 HE1 TYR 96 HE1 TYR 96 24.579 5.268 8.777 709 HE2 TYR 96 HE2 TYR 96 27.350 3.206 6.189 710 HH TYR 96 HH TYR 96 26.821 5.467 5.976 711 H LEU 97 H LEU 97 23.204 1.176 6.866 712 HA LEU 97 HA LEU 97 21.198 2.859 8.173 713 1HB LEU 97 HB2 LEU 97 22.436 3.682 6.257 714 2HB LEU 97 HB3 LEU 97 21.854 2.373 5.229 715 HG LEU 97 HG LEU 97 19.739 4.006 6.603 716 1HD1 LEU 97 HD11 LEU 97 19.883 5.845 4.988 717 2HD1 LEU 97 HD12 LEU 97 21.372 5.744 5.935 718 3HD1 LEU 97 HD13 LEU 97 21.348 5.117 4.273 719 1HD2 LEU 97 HD21 LEU 97 20.035 3.037 3.721 720 2HD2 LEU 97 HD22 LEU 97 19.081 2.236 4.985 721 3HD2 LEU 97 HD23 LEU 97 18.607 3.833 4.415 722 H ILE 98 H ILE 98 21.228 -0.026 6.036 723 HA ILE 98 HA ILE 98 18.445 -0.254 5.708 724 HB ILE 98 HB ILE 98 20.640 -2.373 5.741 725 1HG1 ILE 98 HG12 ILE 98 19.260 -0.912 3.448 726 2HG1 ILE 98 HG13 ILE 98 20.880 -0.556 4.048 727 1HG2 ILE 98 HG21 ILE 98 18.581 -3.560 6.107 728 2HG2 ILE 98 HG22 ILE 98 17.752 -2.653 4.836 729 3HG2 ILE 98 HG23 ILE 98 19.036 -3.812 4.437 730 1HD1 ILE 98 HD11 ILE 98 21.512 -2.958 3.472 731 2HD1 ILE 98 HD12 ILE 98 19.988 -3.023 2.546 732 3HD1 ILE 98 HD13 ILE 98 21.231 -1.840 2.127 733 H ASP 99 H ASP 99 20.573 -1.575 8.292 734 HA ASP 99 HA ASP 99 18.585 -3.049 9.616 735 1HB ASP 99 HB2 ASP 99 21.051 -3.202 9.979 736 2HB ASP 99 HB3 ASP 99 21.001 -1.655 10.836 737 H GLN 100 H GLN 100 18.944 0.409 9.536 738 HA GLN 100 HA GLN 100 17.400 0.831 12.018 739 1HB GLN 100 HB2 GLN 100 18.633 2.728 9.981 740 2HB GLN 100 HB3 GLN 100 17.676 3.265 11.358 741 1HG GLN 100 HG2 GLN 100 19.239 2.312 12.943 742 2HG GLN 100 HG3 GLN 100 20.164 1.535 11.662 743 1HE2 GLN 100 HE22 GLN 100 21.719 2.692 10.550 744 2HE2 GLN 100 HE21 GLN 100 22.090 4.387 10.871 745 H LEU 101 H LEU 101 16.583 -0.055 8.881 746 HA LEU 101 HA LEU 101 13.875 1.210 9.120 747 1HB LEU 101 HB2 LEU 101 15.654 0.836 6.666 748 2HB LEU 101 HB3 LEU 101 13.928 1.000 6.574 749 HG LEU 101 HG LEU 101 14.704 3.053 5.991 750 1HD1 LEU 101 HD11 LEU 101 13.844 4.624 7.620 751 2HD1 LEU 101 HD12 LEU 101 12.823 3.177 7.607 752 3HD1 LEU 101 HD13 LEU 101 13.992 3.436 8.921 753 1HD2 LEU 101 HD21 LEU 101 17.023 2.852 6.791 754 2HD2 LEU 101 HD22 LEU 101 16.294 4.433 7.095 755 3HD2 LEU 101 HD23 LEU 101 16.485 3.273 8.430 756 H LYS 102 H LYS 102 15.752 -1.630 8.104 757 HA LYS 102 HA LYS 102 13.682 -2.974 6.804 758 1HB LYS 102 HB2 LYS 102 15.129 -4.780 6.653 759 2HB LYS 102 HB3 LYS 102 16.228 -3.421 6.853 760 1HG LYS 102 HG2 LYS 102 16.277 -4.028 9.370 761 2HG LYS 102 HG3 LYS 102 15.432 -5.516 8.898 762 1HD LYS 102 HD2 LYS 102 17.378 -5.763 7.142 763 2HD LYS 102 HD3 LYS 102 18.234 -4.616 8.162 764 1HE LYS 102 HE2 LYS 102 17.225 -7.390 8.841 765 2HE LYS 102 HE3 LYS 102 18.903 -6.830 8.765 766 1HZ LYS 102 HZ1 LYS 102 18.460 -5.503 10.788 767 2HZ LYS 102 HZ2 LYS 102 16.896 -6.041 10.825 768 3HZ LYS 102 HZ3 LYS 102 18.134 -7.076 11.032 769 H GLU 103 H GLU 103 14.072 -2.571 10.204 770 HA GLU 103 HA GLU 103 12.589 -4.855 11.069 771 1HB GLU 103 HB2 GLU 103 13.165 -2.193 12.431 772 2HB GLU 103 HB3 GLU 103 12.554 -3.641 13.237 773 1HG GLU 103 HG2 GLU 103 15.277 -3.308 11.916 774 2HG GLU 103 HG3 GLU 103 14.944 -3.361 13.640 775 H ASP 104 H ASP 104 11.568 -1.955 9.481 776 HA ASP 104 HA ASP 104 8.746 -2.414 10.373 777 1HB ASP 104 HB2 ASP 104 9.712 -0.440 11.515 778 2HB ASP 104 HB3 ASP 104 10.100 0.272 9.943 779 H ILE 105 H ILE 105 10.941 -1.330 7.743 780 HA ILE 105 HA ILE 105 8.833 -0.992 5.802 781 HB ILE 105 HB ILE 105 11.841 -1.417 5.551 782 1HG1 ILE 105 HG12 ILE 105 10.034 1.032 5.482 783 2HG1 ILE 105 HG13 ILE 105 11.305 0.676 6.647 784 1HG2 ILE 105 HG21 ILE 105 11.592 -0.697 3.181 785 2HG2 ILE 105 HG22 ILE 105 10.765 -2.187 3.506 786 3HG2 ILE 105 HG23 ILE 105 9.829 -0.685 3.372 787 1HD1 ILE 105 HD11 ILE 105 11.616 1.540 3.773 788 2HD1 ILE 105 HD12 ILE 105 12.227 2.321 5.233 789 3HD1 ILE 105 HD13 ILE 105 12.952 0.799 4.653 790 H GLY 106 H GLY 106 8.115 -2.465 4.292 791 1HA GLY 106 HA2 GLY 106 7.844 -5.173 5.148 792 2HA GLY 106 HA3 GLY 106 7.313 -4.494 3.604 793 H GLU 107 H GLU 107 9.856 -3.670 2.528 794 HA GLU 107 HA GLU 107 11.695 -5.942 2.705 795 1HB GLU 107 HB2 GLU 107 9.980 -6.487 0.871 796 2HB GLU 107 HB3 GLU 107 10.516 -5.021 0.040 797 1HG GLU 107 HG2 GLU 107 11.601 -6.920 -0.957 798 2HG GLU 107 HG3 GLU 107 12.813 -5.964 -0.120 799 H VAL 108 H VAL 108 13.824 -5.212 2.326 800 HA VAL 108 HA VAL 108 14.142 -2.479 1.215 801 HB VAL 108 HB VAL 108 15.790 -3.627 3.505 802 1HG1 VAL 108 HG11 VAL 108 15.814 -0.974 1.978 803 2HG1 VAL 108 HG12 VAL 108 16.640 -1.199 3.526 804 3HG1 VAL 108 HG13 VAL 108 17.135 -2.149 2.117 805 1HG2 VAL 108 HG21 VAL 108 14.795 -1.850 4.888 806 2HG2 VAL 108 HG22 VAL 108 13.725 -1.397 3.549 807 3HG2 VAL 108 HG23 VAL 108 13.562 -2.985 4.328 808 H ILE 109 H ILE 109 15.503 -2.407 -0.441 809 HA ILE 109 HA ILE 109 17.005 -4.852 -1.246 810 HB ILE 109 HB ILE 109 15.435 -2.923 -3.006 811 1HG1 ILE 109 HG12 ILE 109 14.356 -5.699 -2.478 812 2HG1 ILE 109 HG13 ILE 109 13.929 -4.390 -1.385 813 1HG2 ILE 109 HG21 ILE 109 15.613 -4.782 -4.697 814 2HG2 ILE 109 HG22 ILE 109 17.179 -4.136 -4.219 815 3HG2 ILE 109 HG23 ILE 109 16.617 -5.685 -3.554 816 1HD1 ILE 109 HD11 ILE 109 12.997 -3.043 -3.140 817 2HD1 ILE 109 HD12 ILE 109 13.425 -4.260 -4.361 818 3HD1 ILE 109 HD13 ILE 109 12.234 -4.642 -3.098 819 H PHE 110 H PHE 110 18.974 -4.352 -2.423 820 HA PHE 110 HA PHE 110 19.690 -1.488 -2.670 821 1HB PHE 110 HB2 PHE 110 20.696 -2.697 -0.583 822 2HB PHE 110 HB3 PHE 110 21.688 -3.561 -1.755 823 HD1 PHE 110 HD1 PHE 110 23.148 -2.094 -3.396 824 HD2 PHE 110 HD2 PHE 110 21.360 -0.601 0.235 825 HE1 PHE 110 HE1 PHE 110 24.553 -0.067 -3.532 826 HE2 PHE 110 HE2 PHE 110 22.857 1.369 0.156 827 HZ PHE 110 HZ PHE 110 24.386 1.690 -1.762 828 H LEU 111 H LEU 111 20.757 -1.070 -4.593 829 HA LEU 111 HA LEU 111 21.628 -3.372 -6.253 830 1HB LEU 111 HB2 LEU 111 19.562 -2.578 -7.139 831 2HB LEU 111 HB3 LEU 111 20.057 -0.893 -7.039 832 HG LEU 111 HG LEU 111 21.717 -2.767 -8.721 833 1HD1 LEU 111 HD11 LEU 111 19.431 -3.303 -9.406 834 2HD1 LEU 111 HD12 LEU 111 19.045 -1.567 -9.554 835 3HD1 LEU 111 HD13 LEU 111 20.194 -2.334 -10.657 836 1HD2 LEU 111 HD21 LEU 111 20.845 0.135 -9.123 837 2HD2 LEU 111 HD22 LEU 111 22.424 -0.360 -8.481 838 3HD2 LEU 111 HD23 LEU 111 21.995 -0.758 -10.128 839 H GLY 112 H GLY 112 23.645 -3.152 -7.032 840 1HA GLY 112 HA2 GLY 112 25.142 -0.618 -6.515 841 2HA GLY 112 HA3 GLY 112 25.839 -2.224 -6.337 842 H ILE 113 H ILE 113 26.753 -0.140 -8.082 843 HA ILE 113 HA ILE 113 26.539 -1.480 -10.727 844 HB ILE 113 HB ILE 113 26.502 1.505 -10.126 845 1HG1 ILE 113 HG12 ILE 113 24.385 -0.155 -11.572 846 2HG1 ILE 113 HG13 ILE 113 24.300 0.256 -9.860 847 1HG2 ILE 113 HG21 ILE 113 26.401 1.839 -12.583 848 2HG2 ILE 113 HG22 ILE 113 27.891 1.051 -12.116 849 3HG2 ILE 113 HG23 ILE 113 26.586 0.082 -12.826 850 1HD1 ILE 113 HD11 ILE 113 24.401 2.651 -10.400 851 2HD1 ILE 113 HD12 ILE 113 24.260 2.250 -12.133 852 3HD1 ILE 113 HD13 ILE 113 22.953 1.830 -11.012 853 H GLN 114 H GLN 114 28.569 -1.989 -11.480 854 HA GLN 114 HA GLN 114 30.886 -1.614 -9.897 855 1HB GLN 114 HB2 GLN 114 30.576 -3.494 -11.428 856 2HB GLN 114 HB3 GLN 114 30.533 -2.404 -12.809 857 1HG GLN 114 HG2 GLN 114 32.694 -3.497 -12.657 858 2HG GLN 114 HG3 GLN 114 32.904 -1.777 -12.407 859 1HE2 GLN 114 HE22 GLN 114 34.260 -1.288 -10.668 860 2HE2 GLN 114 HE21 GLN 114 34.587 -2.421 -9.337 861 HA PRO 115 HA PRO 115 31.928 2.507 -11.687 862 1HB PRO 115 HB2 PRO 115 33.744 3.323 -9.862 863 2HB PRO 115 HB3 PRO 115 31.999 3.284 -9.468 864 1HG PRO 115 HG2 PRO 115 34.095 1.179 -8.821 865 2HG PRO 115 HG3 PRO 115 32.905 1.932 -7.708 866 1HD PRO 115 HD2 PRO 115 32.452 -0.464 -8.948 867 2HD PRO 115 HD3 PRO 115 31.144 0.694 -8.596 868 H ASP 116 H ASP 116 34.020 3.408 -12.443 869 HA ASP 116 HA ASP 116 36.249 1.452 -12.764 870 1HB ASP 116 HB2 ASP 116 34.977 1.720 -14.885 871 2HB ASP 116 HB3 ASP 116 35.228 3.459 -14.813 872 H ILE 117 H ILE 117 35.152 4.862 -12.374 873 HA ILE 117 HA ILE 117 37.835 5.496 -11.285 874 HB ILE 117 HB ILE 117 38.126 7.437 -12.463 875 1HG1 ILE 117 HG12 ILE 117 36.270 8.262 -14.174 876 2HG1 ILE 117 HG13 ILE 117 35.170 7.464 -13.050 877 1HG2 ILE 117 HG21 ILE 117 36.816 5.723 -14.606 878 2HG2 ILE 117 HG22 ILE 117 38.045 6.974 -14.830 879 3HG2 ILE 117 HG23 ILE 117 38.462 5.490 -13.961 880 1HD1 ILE 117 HD11 ILE 117 37.180 9.688 -12.494 881 2HD1 ILE 117 HD12 ILE 117 35.409 9.820 -12.524 882 3HD1 ILE 117 HD13 ILE 117 36.210 8.931 -11.220 883 H VAL 118 H VAL 118 37.762 6.646 -9.388 884 HA VAL 118 HA VAL 118 35.265 7.980 -8.576 885 HB VAL 118 HB VAL 118 36.669 5.825 -6.935 886 1HG1 VAL 118 HG11 VAL 118 34.932 6.280 -5.205 887 2HG1 VAL 118 HG12 VAL 118 36.012 7.652 -5.443 888 3HG1 VAL 118 HG13 VAL 118 34.382 7.681 -6.148 889 1HG2 VAL 118 HG21 VAL 118 34.431 4.716 -6.912 890 2HG2 VAL 118 HG22 VAL 118 33.834 5.939 -8.057 891 3HG2 VAL 118 HG23 VAL 118 35.122 4.810 -8.530 892 H GLY 119 H GLY 119 35.757 9.870 -7.567 893 1HA GLY 119 HA2 GLY 119 37.683 10.610 -5.832 894 2HA GLY 119 HA3 GLY 119 38.543 10.757 -7.375 895 H PHE 120 H PHE 120 37.750 12.954 -5.571 896 HA PHE 120 HA PHE 120 35.360 14.217 -6.485 897 1HB PHE 120 HB2 PHE 120 37.787 15.320 -5.028 898 2HB PHE 120 HB3 PHE 120 36.292 16.204 -5.300 899 HD1 PHE 120 HD1 PHE 120 34.061 15.106 -4.465 900 HD2 PHE 120 HD2 PHE 120 37.985 13.986 -3.048 901 HE1 PHE 120 HE1 PHE 120 33.052 14.121 -2.425 902 HE2 PHE 120 HE2 PHE 120 36.965 13.009 -1.010 903 HZ PHE 120 HZ PHE 120 34.497 13.075 -0.694 904 H TYR 121 H TYR 121 35.065 15.922 -7.733 905 HA TYR 121 HA TYR 121 35.099 17.196 -9.533 906 1HB TYR 121 HB2 TYR 121 36.896 18.373 -8.207 907 2HB TYR 121 HB3 TYR 121 38.093 17.531 -9.174 908 HD1 TYR 121 HD1 TYR 121 38.872 18.583 -11.157 909 HD2 TYR 121 HD2 TYR 121 35.062 19.759 -9.504 910 HE1 TYR 121 HE1 TYR 121 38.713 20.407 -12.826 911 HE2 TYR 121 HE2 TYR 121 34.889 21.575 -11.170 912 HH TYR 121 HH TYR 121 35.903 22.649 -12.974 913 H TYR 122 H TYR 122 35.061 14.438 -9.895 914 HA TYR 122 HA TYR 122 36.151 14.341 -12.662 915 1HB TYR 122 HB2 TYR 122 35.776 11.967 -10.814 916 2HB TYR 122 HB3 TYR 122 36.242 11.919 -12.505 917 HD1 TYR 122 HD1 TYR 122 37.580 10.688 -10.012 918 HD2 TYR 122 HD2 TYR 122 38.401 14.175 -12.415 919 HE1 TYR 122 HE1 TYR 122 39.974 10.448 -9.513 920 HE2 TYR 122 HE2 TYR 122 40.796 13.991 -11.866 921 HH TYR 122 HH TYR 122 42.116 11.361 -9.793 922 HA PRO 123 HA PRO 123 31.804 13.576 -13.472 923 1HB PRO 123 HB2 PRO 123 31.846 12.945 -16.095 924 2HB PRO 123 HB3 PRO 123 32.372 14.563 -15.535 925 1HG PRO 123 HG2 PRO 123 34.107 12.161 -16.193 926 2HG PRO 123 HG3 PRO 123 34.303 13.852 -16.755 927 1HD PRO 123 HD2 PRO 123 35.637 12.780 -14.581 928 2HD PRO 123 HD3 PRO 123 35.218 14.518 -14.713 929 H MET 124 H MET 124 30.342 11.805 -14.174 930 HA MET 124 HA MET 124 31.223 9.107 -13.481 931 1HB MET 124 HB2 MET 124 28.963 10.000 -12.977 932 2HB MET 124 HB3 MET 124 28.650 10.205 -14.708 933 1HG MET 124 HG2 MET 124 28.961 7.729 -15.000 934 2HG MET 124 HG3 MET 124 29.123 7.574 -13.256 935 1HE MET 124 HE1 MET 124 27.252 8.063 -11.532 936 2HE MET 124 HE2 MET 124 26.913 9.698 -12.153 937 3HE MET 124 HE3 MET 124 25.588 8.547 -11.950 938 H THR 125 H THR 125 31.742 7.526 -14.971 939 HA THR 125 HA THR 125 32.494 8.374 -17.659 940 HB THR 125 HB THR 125 33.384 6.072 -17.806 941 HG1 THR 125 HG1 THR 125 32.412 5.802 -15.142 942 1HG2 THR 125 HG21 THR 125 35.095 6.176 -16.105 943 2HG2 THR 125 HG22 THR 125 34.819 7.794 -16.782 944 3HG2 THR 125 HG23 THR 125 34.165 7.376 -15.180 945 H GLN 126 H GLN 126 31.824 7.154 -19.607 946 HA GLN 126 HA GLN 126 29.097 7.135 -19.985 947 1HB GLN 126 HB2 GLN 126 30.754 7.379 -21.752 948 2HB GLN 126 HB3 GLN 126 31.290 5.713 -21.534 949 1HG GLN 126 HG2 GLN 126 29.901 5.882 -23.491 950 2HG GLN 126 HG3 GLN 126 29.091 4.886 -22.294 951 1HE2 GLN 126 HE22 GLN 126 27.189 5.810 -21.154 952 2HE2 GLN 126 HE21 GLN 126 26.305 7.131 -21.896 953 HA PRO 127 HA PRO 127 28.776 2.436 -19.680 954 1HB PRO 127 HB2 PRO 127 30.381 0.977 -17.958 955 2HB PRO 127 HB3 PRO 127 30.666 1.191 -19.709 956 1HG PRO 127 HG2 PRO 127 31.917 2.695 -17.413 957 2HG PRO 127 HG3 PRO 127 32.701 2.065 -18.891 958 1HD PRO 127 HD2 PRO 127 31.998 4.659 -18.592 959 2HD PRO 127 HD3 PRO 127 31.900 3.857 -20.182 960 H ILE 128 H ILE 128 29.755 4.259 -16.741 961 HA ILE 128 HA ILE 128 27.748 2.852 -15.138 962 HB ILE 128 HB ILE 128 29.623 5.153 -14.547 963 1HG1 ILE 128 HG12 ILE 128 30.520 3.566 -12.870 964 2HG1 ILE 128 HG13 ILE 128 29.370 2.338 -13.362 965 1HG2 ILE 128 HG21 ILE 128 27.679 3.854 -12.574 966 2HG2 ILE 128 HG22 ILE 128 28.866 5.130 -12.229 967 3HG2 ILE 128 HG23 ILE 128 27.478 5.470 -13.250 968 1HD1 ILE 128 HD11 ILE 128 31.764 2.056 -14.155 969 2HD1 ILE 128 HD12 ILE 128 30.531 1.961 -15.422 970 3HD1 ILE 128 HD13 ILE 128 31.497 3.437 -15.210 971 H LYS 129 H LYS 129 27.999 5.950 -16.907 972 HA LYS 129 HA LYS 129 25.417 6.959 -16.206 973 1HB LYS 129 HB2 LYS 129 27.005 7.177 -18.801 974 2HB LYS 129 HB3 LYS 129 25.437 7.949 -18.566 975 1HG LYS 129 HG2 LYS 129 26.294 9.253 -16.685 976 2HG LYS 129 HG3 LYS 129 27.886 8.487 -16.851 977 1HD LYS 129 HD2 LYS 129 28.158 9.420 -19.097 978 2HD LYS 129 HD3 LYS 129 26.521 10.115 -19.037 979 1HE LYS 129 HE2 LYS 129 27.166 11.506 -17.104 980 2HE LYS 129 HE3 LYS 129 28.788 10.804 -17.123 981 1HZ LYS 129 HZ1 LYS 129 29.130 11.792 -19.308 982 2HZ LYS 129 HZ2 LYS 129 27.623 12.429 -19.312 983 3HZ LYS 129 HZ3 LYS 129 28.729 12.950 -18.237 984 H ASP 130 H ASP 130 26.376 4.652 -18.780 985 HA ASP 130 HA ASP 130 23.742 4.207 -19.767 986 1HB ASP 130 HB2 ASP 130 25.746 3.602 -21.029 987 2HB ASP 130 HB3 ASP 130 26.200 2.420 -19.801 988 H ALA 131 H ALA 131 25.580 2.611 -17.160 989 HA ALA 131 HA ALA 131 23.641 0.597 -16.623 990 1HB ALA 131 HB1 ALA 131 25.649 1.914 -14.754 991 2HB ALA 131 HB2 ALA 131 24.772 0.411 -14.435 992 3HB ALA 131 HB3 ALA 131 25.936 0.487 -15.774 993 H VAL 132 H VAL 132 24.078 3.893 -15.160 994 HA VAL 132 HA VAL 132 21.841 3.680 -13.409 995 HB VAL 132 HB VAL 132 23.260 6.086 -14.624 996 1HG1 VAL 132 HG11 VAL 132 21.073 5.962 -12.517 997 2HG1 VAL 132 HG12 VAL 132 22.163 7.347 -12.675 998 3HG1 VAL 132 HG13 VAL 132 21.081 6.917 -14.011 999 1HG2 VAL 132 HG21 VAL 132 24.279 6.302 -12.420 1000 2HG2 VAL 132 HG22 VAL 132 23.338 4.932 -11.797 1001 3HG2 VAL 132 HG23 VAL 132 24.597 4.673 -13.019 1002 H GLU 133 H GLU 133 22.083 4.787 -16.841 1003 HA GLU 133 HA GLU 133 19.352 5.513 -17.121 1004 1HB GLU 133 HB2 GLU 133 21.091 6.119 -18.740 1005 2HB GLU 133 HB3 GLU 133 21.375 4.430 -19.120 1006 1HG GLU 133 HG2 GLU 133 20.107 5.435 -20.888 1007 2HG GLU 133 HG3 GLU 133 19.125 4.216 -20.089 1008 H THR 134 H THR 134 20.992 2.322 -17.493 1009 HA THR 134 HA THR 134 18.692 0.912 -18.390 1010 HB THR 134 HB THR 134 21.087 -0.117 -16.803 1011 HG1 THR 134 HG1 THR 134 21.738 0.944 -18.679 1012 1HG2 THR 134 HG21 THR 134 20.649 -2.257 -17.967 1013 2HG2 THR 134 HG22 THR 134 19.296 -1.803 -16.925 1014 3HG2 THR 134 HG23 THR 134 19.172 -1.568 -18.683 1015 H VAL 135 H VAL 135 19.957 1.457 -15.037 1016 HA VAL 135 HA VAL 135 17.875 0.004 -13.725 1017 HB VAL 135 HB VAL 135 19.647 2.306 -12.800 1018 1HG1 VAL 135 HG11 VAL 135 17.865 0.468 -11.134 1019 2HG1 VAL 135 HG12 VAL 135 19.095 1.574 -10.482 1020 3HG1 VAL 135 HG13 VAL 135 17.685 2.225 -11.319 1021 1HG2 VAL 135 HG21 VAL 135 20.855 0.209 -13.407 1022 2HG2 VAL 135 HG22 VAL 135 20.926 0.539 -11.683 1023 3HG2 VAL 135 HG23 VAL 135 19.811 -0.701 -12.307 1024 H TYR 136 H TYR 136 18.171 3.497 -14.593 1025 HA TYR 136 HA TYR 136 15.770 4.393 -13.481 1026 1HB TYR 136 HB2 TYR 136 17.448 5.929 -14.303 1027 2HB TYR 136 HB3 TYR 136 17.355 5.266 -15.918 1028 HD1 TYR 136 HD1 TYR 136 14.966 6.752 -13.396 1029 HD2 TYR 136 HD2 TYR 136 16.260 6.541 -17.511 1030 HE1 TYR 136 HE1 TYR 136 13.230 8.397 -14.023 1031 HE2 TYR 136 HE2 TYR 136 14.529 8.189 -18.142 1032 HH TYR 136 HH TYR 136 12.252 9.588 -15.738 1033 H GLN 137 H GLN 137 16.306 3.122 -16.843 1034 HA GLN 137 HA GLN 137 13.521 3.384 -17.485 1035 1HB GLN 137 HB2 GLN 137 15.691 1.692 -18.781 1036 2HB GLN 137 HB3 GLN 137 14.090 1.964 -19.465 1037 1HG GLN 137 HG2 GLN 137 16.167 4.132 -18.942 1038 2HG GLN 137 HG3 GLN 137 15.818 3.398 -20.494 1039 1HE2 GLN 137 HE22 GLN 137 15.749 6.070 -20.406 1040 2HE2 GLN 137 HE21 GLN 137 14.090 6.662 -20.483 1041 H ARG 138 H ARG 138 15.240 0.863 -15.714 1042 HA ARG 138 HA ARG 138 13.183 -1.139 -16.144 1043 1HB ARG 138 HB2 ARG 138 15.628 -1.530 -15.328 1044 2HB ARG 138 HB3 ARG 138 15.071 -0.959 -13.759 1045 1HG ARG 138 HG2 ARG 138 14.914 -3.296 -13.588 1046 2HG ARG 138 HG3 ARG 138 13.265 -2.811 -13.882 1047 1HD ARG 138 HD2 ARG 138 13.500 -4.608 -15.314 1048 2HD ARG 138 HD3 ARG 138 13.809 -3.276 -16.420 1049 HE ARG 138 HE ARG 138 15.760 -5.143 -15.152 1050 1HH1 ARG 138 HH21 ARG 138 15.198 -2.692 -17.676 1051 2HH1 ARG 138 HH22 ARG 138 16.677 -3.003 -18.501 1052 1HH2 ARG 138 HH11 ARG 138 17.747 -5.494 -16.202 1053 2HH2 ARG 138 HH12 ARG 138 18.150 -4.663 -17.659 1054 H LEU 139 H LEU 139 13.504 1.603 -13.933 1055 HA LEU 139 HA LEU 139 12.039 0.619 -11.791 1056 1HB LEU 139 HB2 LEU 139 12.342 3.438 -12.836 1057 2HB LEU 139 HB3 LEU 139 11.506 3.097 -11.334 1058 HG LEU 139 HG LEU 139 14.427 2.478 -11.874 1059 1HD1 LEU 139 HD11 LEU 139 13.056 4.659 -10.247 1060 2HD1 LEU 139 HD12 LEU 139 14.800 4.343 -10.273 1061 3HD1 LEU 139 HD13 LEU 139 13.974 4.875 -11.747 1062 1HD2 LEU 139 HD21 LEU 139 12.836 2.269 -9.280 1063 2HD2 LEU 139 HD22 LEU 139 13.508 0.899 -10.197 1064 3HD2 LEU 139 HD23 LEU 139 14.590 2.070 -9.446 1065 H GLU 140 H GLU 140 10.573 1.524 -14.852 1066 HA GLU 140 HA GLU 140 7.926 1.873 -13.608 1067 1HB GLU 140 HB2 GLU 140 7.114 2.202 -15.886 1068 2HB GLU 140 HB3 GLU 140 8.486 3.240 -15.533 1069 1HG GLU 140 HG2 GLU 140 9.981 1.651 -16.753 1070 2HG GLU 140 HG3 GLU 140 8.589 0.635 -17.130 1071 H GLY 141 H GLY 141 9.807 -0.810 -14.566 1072 1HA GLY 141 HA2 GLY 141 7.391 -2.580 -14.746 1073 2HA GLY 141 HA3 GLY 141 8.782 -2.724 -15.828 1074 H TRP 142 H TRP 142 10.209 -1.879 -13.036 1075 HA TRP 142 HA TRP 142 11.261 -4.345 -12.227 1076 1HB TRP 142 HB2 TRP 142 12.231 -2.135 -11.820 1077 2HB TRP 142 HB3 TRP 142 10.882 -1.684 -10.802 1078 HD1 TRP 142 HD1 TRP 142 10.751 -3.719 -8.586 1079 HE1 TRP 142 HE1 TRP 142 12.671 -4.244 -6.999 1080 HE3 TRP 142 HE3 TRP 142 14.621 -1.815 -11.352 1081 HZ2 TRP 142 HZ2 TRP 142 15.537 -3.889 -6.920 1082 HZ3 TRP 142 HZ3 TRP 142 16.930 -1.880 -10.461 1083 HH2 TRP 142 HH2 TRP 142 17.398 -2.937 -8.257 1084 H GLU 143 H GLU 143 10.031 -6.047 -11.511 1085 HA GLU 143 HA GLU 143 7.486 -5.617 -10.166 1086 1HB GLU 143 HB2 GLU 143 9.058 -8.158 -10.780 1087 2HB GLU 143 HB3 GLU 143 7.433 -8.111 -10.084 1088 1HG GLU 143 HG2 GLU 143 6.630 -6.870 -12.112 1089 2HG GLU 143 HG3 GLU 143 8.233 -7.066 -12.830 1090 H GLY 144 H GLY 144 10.746 -6.589 -9.209 1091 1HA GLY 144 HA2 GLY 144 10.232 -6.101 -6.381 1092 2HA GLY 144 HA3 GLY 144 10.395 -7.818 -6.787 1093 H ASN 145 H ASN 145 12.442 -7.687 -8.793 1094 HA ASN 145 HA ASN 145 14.689 -6.225 -7.486 1095 1HB ASN 145 HB2 ASN 145 16.034 -8.078 -7.418 1096 2HB ASN 145 HB3 ASN 145 14.501 -8.744 -6.896 1097 1HD2 ASN 145 HD22 ASN 145 16.907 -10.045 -8.214 1098 2HD2 ASN 145 HD21 ASN 145 16.279 -10.825 -9.635 1099 H GLY 146 H GLY 146 13.000 -5.925 -10.111 1100 1HA GLY 146 HA2 GLY 146 13.358 -5.250 -12.259 1101 2HA GLY 146 HA3 GLY 146 14.983 -4.815 -11.714 1102 H GLY 147 H GLY 147 14.359 -8.219 -11.420 1103 1HA GLY 147 HA2 GLY 147 15.136 -10.026 -12.547 1104 2HA GLY 147 HA3 GLY 147 15.099 -9.089 -14.050 1105 H PHE 148 H PHE 148 17.017 -7.516 -11.597 1106 HA PHE 148 HA PHE 148 19.446 -8.004 -13.097 1107 1HB PHE 148 HB2 PHE 148 18.813 -6.500 -10.534 1108 2HB PHE 148 HB3 PHE 148 20.428 -6.605 -11.227 1109 HD1 PHE 148 HD1 PHE 148 17.388 -4.710 -11.204 1110 HD2 PHE 148 HD2 PHE 148 20.666 -5.896 -13.750 1111 HE1 PHE 148 HE1 PHE 148 16.971 -2.751 -12.670 1112 HE2 PHE 148 HE2 PHE 148 20.202 -3.960 -15.240 1113 HZ PHE 148 HZ PHE 148 18.363 -2.376 -14.689 1114 H ALA 149 H ALA 149 21.193 -9.151 -12.416 1115 HA ALA 149 HA ALA 149 20.712 -11.548 -10.890 1116 1HB ALA 149 HB1 ALA 149 22.259 -11.545 -12.800 1117 2HB ALA 149 HB2 ALA 149 23.289 -10.336 -12.004 1118 3HB ALA 149 HB3 ALA 149 23.137 -11.966 -11.317 1119 H GLN 150 H GLN 150 21.730 -12.151 -8.960 1120 HA GLN 150 HA GLN 150 22.128 -9.931 -7.061 1121 1HB GLN 150 HB2 GLN 150 20.527 -11.989 -6.810 1122 2HB GLN 150 HB3 GLN 150 21.983 -12.869 -6.326 1123 1HG GLN 150 HG2 GLN 150 20.978 -10.291 -5.012 1124 2HG GLN 150 HG3 GLN 150 20.500 -11.898 -4.489 1125 1HE2 GLN 150 HE22 GLN 150 23.091 -9.530 -4.459 1126 2HE2 GLN 150 HE21 GLN 150 24.278 -10.546 -3.657 1127 H LEU 151 H LEU 151 24.137 -9.347 -6.466 1128 HA LEU 151 HA LEU 151 26.531 -10.332 -7.545 1129 1HB LEU 151 HB2 LEU 151 26.228 -8.073 -6.553 1130 2HB LEU 151 HB3 LEU 151 25.958 -8.790 -4.972 1131 HG LEU 151 HG LEU 151 28.305 -9.615 -4.941 1132 1HD1 LEU 151 HD11 LEU 151 28.579 -8.137 -7.592 1133 2HD1 LEU 151 HD12 LEU 151 29.915 -8.811 -6.633 1134 3HD1 LEU 151 HD13 LEU 151 28.727 -9.886 -7.368 1135 1HD2 LEU 151 HD21 LEU 151 27.857 -6.660 -5.541 1136 2HD2 LEU 151 HD22 LEU 151 27.784 -7.457 -3.972 1137 3HD2 LEU 151 HD23 LEU 151 29.338 -7.326 -4.808 1138 H ALA 152 H ALA 152 27.711 -12.071 -7.077 1139 HA ALA 152 HA ALA 152 27.777 -13.146 -4.325 1140 1HB ALA 152 HB1 ALA 152 26.034 -14.437 -5.511 1141 2HB ALA 152 HB2 ALA 152 27.215 -14.864 -6.779 1142 3HB ALA 152 HB3 ALA 152 27.446 -15.435 -5.106 1143 H VAL 153 H VAL 153 29.526 -11.458 -5.780 1144 HA VAL 153 HA VAL 153 31.642 -11.123 -6.382 1145 HB VAL 153 HB VAL 153 32.257 -13.342 -4.416 1146 1HG1 VAL 153 HG11 VAL 153 34.154 -11.868 -3.790 1147 2HG1 VAL 153 HG12 VAL 153 34.226 -12.221 -5.517 1148 3HG1 VAL 153 HG13 VAL 153 33.617 -10.648 -4.966 1149 1HG2 VAL 153 HG21 VAL 153 32.105 -11.568 -2.631 1150 2HG2 VAL 153 HG22 VAL 153 31.291 -10.525 -3.818 1151 3HG2 VAL 153 HG23 VAL 153 30.553 -12.054 -3.298 1152 H GLU 154 H GLU 154 30.508 -12.393 -8.389 1153 HA GLU 154 HA GLU 154 31.619 -14.786 -9.314 1154 1HB GLU 154 HB2 GLU 154 31.014 -12.366 -11.068 1155 2HB GLU 154 HB3 GLU 154 31.089 -14.054 -11.544 1156 1HG GLU 154 HG2 GLU 154 28.838 -13.755 -11.458 1157 2HG GLU 154 HG3 GLU 154 29.117 -14.393 -9.835 1158 H GLU 155 H GLU 155 33.386 -15.291 -10.682 1159 HA GLU 155 HA GLU 155 35.452 -13.249 -11.203 1160 1HB GLU 155 HB2 GLU 155 35.965 -15.958 -9.882 1161 2HB GLU 155 HB3 GLU 155 37.219 -14.881 -10.513 1162 1HG GLU 155 HG2 GLU 155 36.485 -13.113 -8.909 1163 2HG GLU 155 HG3 GLU 155 35.354 -14.268 -8.196 1164 H GLU 156 H GLU 156 33.384 -14.363 -12.834 1165 HA GLU 156 HA GLU 156 34.873 -15.510 -15.036 1166 1HB GLU 156 HB2 GLU 156 33.414 -17.444 -15.325 1167 2HB GLU 156 HB3 GLU 156 34.287 -17.555 -13.801 1168 1HG GLU 156 HG2 GLU 156 32.232 -16.783 -12.587 1169 2HG GLU 156 HG3 GLU 156 31.368 -16.722 -14.125 Start of MODEL 12 1 1H MET 1 H1 MET 1 2.318 -0.356 1.392 2 2H MET 1 H2 MET 1 0.723 -0.681 1.609 3 3H MET 1 H3 MET 1 1.253 -0.103 0.172 4 HA MET 1 HA MET 1 0.126 1.601 1.412 5 1HB MET 1 HB2 MET 1 2.357 1.233 3.457 6 2HB MET 1 HB3 MET 1 1.233 2.580 3.399 7 1HG MET 1 HG2 MET 1 0.535 -0.336 3.874 8 2HG MET 1 HG3 MET 1 0.525 0.958 5.059 9 1HE MET 1 HE1 MET 1 -0.975 3.410 3.705 10 2HE MET 1 HE2 MET 1 -2.642 3.040 4.187 11 3HE MET 1 HE3 MET 1 -1.311 2.769 5.332 12 H THR 2 H THR 2 3.790 1.575 1.592 13 HA THR 2 HA THR 2 3.829 3.696 -0.472 14 HB THR 2 HB THR 2 5.222 4.006 2.219 15 HG1 THR 2 HG1 THR 2 3.616 5.289 2.890 16 1HG2 THR 2 HG21 THR 2 6.251 5.353 0.468 17 2HG2 THR 2 HG22 THR 2 4.662 5.956 -0.062 18 3HG2 THR 2 HG23 THR 2 5.320 6.422 1.519 19 H ASP 3 H ASP 3 5.989 3.874 -1.445 20 HA ASP 3 HA ASP 3 7.845 1.608 -0.947 21 1HB ASP 3 HB2 ASP 3 6.082 0.858 -2.525 22 2HB ASP 3 HB3 ASP 3 6.383 2.280 -3.528 23 H VAL 4 H VAL 4 9.916 2.411 -1.157 24 HA VAL 4 HA VAL 4 10.172 5.195 -2.235 25 HB VAL 4 HB VAL 4 11.302 3.900 0.266 26 1HG1 VAL 4 HG11 VAL 4 13.059 5.400 -0.646 27 2HG1 VAL 4 HG12 VAL 4 11.876 6.719 -0.761 28 3HG1 VAL 4 HG13 VAL 4 12.345 6.051 0.819 29 1HG2 VAL 4 HG21 VAL 4 9.453 6.288 -0.144 30 2HG2 VAL 4 HG22 VAL 4 8.975 4.707 0.494 31 3HG2 VAL 4 HG23 VAL 4 10.087 5.747 1.407 32 H LEU 5 H LEU 5 12.058 5.831 -3.150 33 HA LEU 5 HA LEU 5 14.082 3.759 -3.848 34 1HB LEU 5 HB2 LEU 5 12.990 4.444 -5.902 35 2HB LEU 5 HB3 LEU 5 13.023 6.141 -5.415 36 HG LEU 5 HG LEU 5 15.528 6.132 -5.578 37 1HD1 LEU 5 HD11 LEU 5 16.002 3.735 -5.235 38 2HD1 LEU 5 HD12 LEU 5 15.118 3.329 -6.721 39 3HD1 LEU 5 HD13 LEU 5 16.625 4.269 -6.796 40 1HD2 LEU 5 HD21 LEU 5 13.994 5.276 -8.050 41 2HD2 LEU 5 HD22 LEU 5 14.151 6.928 -7.425 42 3HD2 LEU 5 HD23 LEU 5 15.578 6.091 -8.046 43 H LEU 6 H LEU 6 16.038 4.286 -2.924 44 HA LEU 6 HA LEU 6 16.473 7.073 -1.934 45 1HB LEU 6 HB2 LEU 6 16.120 5.642 -0.057 46 2HB LEU 6 HB3 LEU 6 17.218 4.414 -0.714 47 HG LEU 6 HG LEU 6 19.131 6.007 -0.415 48 1HD1 LEU 6 HD11 LEU 6 17.047 7.760 0.937 49 2HD1 LEU 6 HD12 LEU 6 18.805 8.011 1.004 50 3HD1 LEU 6 HD13 LEU 6 17.960 8.153 -0.540 51 1HD2 LEU 6 HD21 LEU 6 19.184 5.830 2.058 52 2HD2 LEU 6 HD22 LEU 6 17.461 5.389 2.047 53 3HD2 LEU 6 HD23 LEU 6 18.654 4.334 1.282 54 H CYS 7 H CYS 7 17.659 7.898 -3.541 55 HA CYS 7 HA CYS 7 19.879 6.437 -4.788 56 1HB CYS 7 HB2 CYS 7 18.870 9.316 -4.830 57 2HB CYS 7 HB3 CYS 7 20.275 8.759 -5.734 58 HG CYS 7 HG CYS 7 18.286 8.861 -7.400 59 H VAL 8 H VAL 8 22.046 6.616 -4.206 60 HA VAL 8 HA VAL 8 22.849 8.486 -2.056 61 HB VAL 8 HB VAL 8 23.483 5.500 -2.200 62 1HG1 VAL 8 HG11 VAL 8 24.536 5.811 0.009 63 2HG1 VAL 8 HG12 VAL 8 25.348 6.762 -1.229 64 3HG1 VAL 8 HG13 VAL 8 24.236 7.562 -0.100 65 1HG2 VAL 8 HG21 VAL 8 21.228 5.651 -1.450 66 2HG2 VAL 8 HG22 VAL 8 22.226 5.328 -0.038 67 3HG2 VAL 8 HG23 VAL 8 21.614 6.975 -0.333 68 H GLY 9 H GLY 9 24.965 9.294 -2.413 69 1HA GLY 9 HA2 GLY 9 27.190 8.408 -3.517 70 2HA GLY 9 HA3 GLY 9 26.250 8.626 -4.996 71 H ASN 10 H ASN 10 28.496 10.084 -4.908 72 HA ASN 10 HA ASN 10 27.556 12.882 -4.375 73 1HB ASN 10 HB2 ASN 10 29.254 12.324 -2.782 74 2HB ASN 10 HB3 ASN 10 30.297 11.634 -4.007 75 1HD2 ASN 10 HD22 ASN 10 30.216 14.196 -2.032 76 2HD2 ASN 10 HD21 ASN 10 30.945 15.403 -3.060 77 H SER 11 H SER 11 27.308 14.019 -6.152 78 HA SER 11 HA SER 11 27.482 13.018 -8.676 79 1HB SER 11 HB2 SER 11 27.521 15.972 -8.017 80 2HB SER 11 HB3 SER 11 26.648 15.146 -9.320 81 HG SER 11 HG SER 11 25.288 15.732 -7.552 82 H MET 12 H MET 12 30.233 14.362 -7.007 83 HA MET 12 HA MET 12 31.641 14.709 -9.606 84 1HB MET 12 HB2 MET 12 32.774 16.646 -8.819 85 2HB MET 12 HB3 MET 12 31.040 16.915 -8.650 86 1HG MET 12 HG2 MET 12 31.259 16.261 -6.216 87 2HG MET 12 HG3 MET 12 33.011 16.229 -6.428 88 1HE MET 12 HE1 MET 12 34.461 18.382 -6.960 89 2HE MET 12 HE2 MET 12 33.464 18.869 -8.355 90 3HE MET 12 HE3 MET 12 33.811 20.033 -7.063 91 H MET 13 H MET 13 31.380 12.623 -7.212 92 HA MET 13 HA MET 13 34.237 12.352 -6.560 93 1HB MET 13 HB2 MET 13 32.676 12.181 -4.777 94 2HB MET 13 HB3 MET 13 31.697 10.990 -5.621 95 1HG MET 13 HG2 MET 13 33.160 9.255 -5.127 96 2HG MET 13 HG3 MET 13 34.544 10.307 -5.043 97 1HE MET 13 HE1 MET 13 35.067 9.185 -1.569 98 2HE MET 13 HE2 MET 13 34.794 8.276 -3.079 99 3HE MET 13 HE3 MET 13 35.758 9.770 -3.106 100 H GLY 14 H GLY 14 32.785 11.909 -9.359 101 1HA GLY 14 HA2 GLY 14 33.724 10.695 -11.134 102 2HA GLY 14 HA3 GLY 14 34.300 9.455 -10.016 103 H ASP 15 H ASP 15 33.311 7.681 -10.851 104 HA ASP 15 HA ASP 15 30.646 7.464 -11.828 105 1HB ASP 15 HB2 ASP 15 32.594 5.452 -10.662 106 2HB ASP 15 HB3 ASP 15 31.045 4.998 -11.345 107 H ASP 16 H ASP 16 31.840 7.744 -8.617 108 HA ASP 16 HA ASP 16 29.963 6.392 -7.042 109 1HB ASP 16 HB2 ASP 16 32.082 7.503 -6.330 110 2HB ASP 16 HB3 ASP 16 31.297 9.067 -6.570 111 H GLY 17 H GLY 17 29.486 9.259 -9.030 112 1HA GLY 17 HA2 GLY 17 27.247 10.365 -7.606 113 2HA GLY 17 HA3 GLY 17 27.729 10.708 -9.272 114 H ALA 18 H ALA 18 26.949 7.357 -8.268 115 HA ALA 18 HA ALA 18 25.319 7.080 -10.601 116 1HB ALA 18 HB1 ALA 18 26.617 5.225 -9.683 117 2HB ALA 18 HB2 ALA 18 25.658 5.273 -8.183 118 3HB ALA 18 HB3 ALA 18 24.890 4.821 -9.718 119 H GLY 19 H GLY 19 24.480 7.123 -7.092 120 1HA GLY 19 HA2 GLY 19 21.666 7.014 -7.414 121 2HA GLY 19 HA3 GLY 19 22.533 7.691 -6.032 122 HA PRO 20 HA PRO 20 21.774 11.876 -7.178 123 1HB PRO 20 HB2 PRO 20 24.534 12.226 -8.389 124 2HB PRO 20 HB3 PRO 20 23.599 13.372 -7.373 125 1HG PRO 20 HG2 PRO 20 25.510 11.793 -6.260 126 2HG PRO 20 HG3 PRO 20 23.957 12.046 -5.414 127 1HD PRO 20 HD2 PRO 20 24.888 9.643 -6.931 128 2HD PRO 20 HD3 PRO 20 23.825 9.755 -5.509 129 H LEU 21 H LEU 21 23.465 10.253 -10.021 130 HA LEU 21 HA LEU 21 22.102 11.993 -11.885 131 1HB LEU 21 HB2 LEU 21 24.216 10.912 -12.454 132 2HB LEU 21 HB3 LEU 21 23.503 9.319 -12.227 133 HG LEU 21 HG LEU 21 21.958 9.733 -14.151 134 1HD1 LEU 21 HD11 LEU 21 22.425 11.690 -15.655 135 2HD1 LEU 21 HD12 LEU 21 21.739 12.166 -14.102 136 3HD1 LEU 21 HD13 LEU 21 23.481 12.365 -14.398 137 1HD2 LEU 21 HD21 LEU 21 24.886 10.205 -14.808 138 2HD2 LEU 21 HD22 LEU 21 24.118 8.631 -14.518 139 3HD2 LEU 21 HD23 LEU 21 23.643 9.593 -15.924 140 H LEU 22 H LEU 22 21.430 8.750 -10.481 141 HA LEU 22 HA LEU 22 19.147 8.187 -12.092 142 1HB LEU 22 HB2 LEU 22 20.288 6.484 -10.699 143 2HB LEU 22 HB3 LEU 22 19.825 7.341 -9.238 144 HG LEU 22 HG LEU 22 17.450 6.953 -9.694 145 1HD1 LEU 22 HD11 LEU 22 16.849 5.277 -11.514 146 2HD1 LEU 22 HD12 LEU 22 17.358 6.846 -12.128 147 3HD1 LEU 22 HD13 LEU 22 18.486 5.467 -12.165 148 1HD2 LEU 22 HD21 LEU 22 19.098 4.403 -9.879 149 2HD2 LEU 22 HD22 LEU 22 18.758 5.309 -8.385 150 3HD2 LEU 22 HD23 LEU 22 17.436 4.536 -9.269 151 H ALA 23 H ALA 23 19.486 9.814 -8.921 152 HA ALA 23 HA ALA 23 16.752 10.397 -8.465 153 1HB ALA 23 HB1 ALA 23 18.488 10.691 -6.711 154 2HB ALA 23 HB2 ALA 23 19.223 12.007 -7.649 155 3HB ALA 23 HB3 ALA 23 17.593 12.191 -6.976 156 H GLU 24 H GLU 24 19.208 12.244 -10.364 157 HA GLU 24 HA GLU 24 17.536 14.503 -10.844 158 1HB GLU 24 HB2 GLU 24 19.880 14.678 -11.250 159 2HB GLU 24 HB3 GLU 24 19.889 13.299 -12.353 160 1HG GLU 24 HG2 GLU 24 18.640 14.494 -14.027 161 2HG GLU 24 HG3 GLU 24 18.342 15.849 -12.929 162 H LYS 25 H LYS 25 18.058 11.509 -12.707 163 HA LYS 25 HA LYS 25 16.237 12.132 -14.824 164 1HB LYS 25 HB2 LYS 25 17.306 9.532 -13.667 165 2HB LYS 25 HB3 LYS 25 16.263 9.585 -15.105 166 1HG LYS 25 HG2 LYS 25 17.882 10.871 -16.340 167 2HG LYS 25 HG3 LYS 25 18.915 11.067 -14.914 168 1HD LYS 25 HD2 LYS 25 19.300 8.638 -14.810 169 2HD LYS 25 HD3 LYS 25 18.261 8.378 -16.217 170 1HE LYS 25 HE2 LYS 25 20.775 10.113 -16.239 171 2HE LYS 25 HE3 LYS 25 20.766 8.397 -16.664 172 1HZ LYS 25 HZ1 LYS 25 19.254 8.861 -18.462 173 2HZ LYS 25 HZ2 LYS 25 19.204 10.467 -18.097 174 3HZ LYS 25 HZ3 LYS 25 20.592 9.788 -18.628 175 H CYS 26 H CYS 26 15.717 10.289 -11.760 176 HA CYS 26 HA CYS 26 12.952 9.766 -12.275 177 1HB CYS 26 HB2 CYS 26 14.401 9.998 -9.599 178 2HB CYS 26 HB3 CYS 26 12.798 9.286 -9.877 179 HG CYS 26 HG CYS 26 15.742 8.356 -11.033 180 H ALA 27 H ALA 27 14.568 12.547 -10.613 181 HA ALA 27 HA ALA 27 12.166 13.791 -9.795 182 1HB ALA 27 HB1 ALA 27 14.853 15.048 -10.503 183 2HB ALA 27 HB2 ALA 27 13.544 15.832 -9.599 184 3HB ALA 27 HB3 ALA 27 14.369 14.424 -8.907 185 H ALA 28 H ALA 28 13.981 13.946 -12.900 186 HA ALA 28 HA ALA 28 12.423 16.044 -14.031 187 1HB ALA 28 HB1 ALA 28 14.671 15.422 -14.848 188 2HB ALA 28 HB2 ALA 28 14.043 13.851 -15.397 189 3HB ALA 28 HB3 ALA 28 13.466 15.349 -16.148 190 H ALA 29 H ALA 29 12.104 12.509 -13.980 191 HA ALA 29 HA ALA 29 9.327 12.589 -14.944 192 1HB ALA 29 HB1 ALA 29 11.649 11.469 -16.543 193 2HB ALA 29 HB2 ALA 29 9.956 10.963 -16.801 194 3HB ALA 29 HB3 ALA 29 10.439 12.653 -17.056 195 HA PRO 30 HA PRO 30 10.123 9.477 -11.650 196 1HB PRO 30 HB2 PRO 30 7.104 9.590 -11.715 197 2HB PRO 30 HB3 PRO 30 8.197 9.479 -10.298 198 1HG PRO 30 HG2 PRO 30 7.097 11.857 -10.978 199 2HG PRO 30 HG3 PRO 30 8.829 11.774 -10.514 200 1HD PRO 30 HD2 PRO 30 7.630 11.904 -13.290 201 2HD PRO 30 HD3 PRO 30 9.046 12.773 -12.621 202 H LYS 31 H LYS 31 9.362 7.218 -11.291 203 HA LYS 31 HA LYS 31 8.345 5.814 -13.702 204 1HB LYS 31 HB2 LYS 31 10.768 4.967 -12.033 205 2HB LYS 31 HB3 LYS 31 10.087 4.074 -13.384 206 1HG LYS 31 HG2 LYS 31 11.442 6.802 -13.571 207 2HG LYS 31 HG3 LYS 31 12.165 5.260 -13.961 208 1HD LYS 31 HD2 LYS 31 9.750 5.365 -15.480 209 2HD LYS 31 HD3 LYS 31 10.474 6.974 -15.600 210 1HE LYS 31 HE2 LYS 31 12.625 5.914 -16.321 211 2HE LYS 31 HE3 LYS 31 11.864 4.327 -16.193 212 1HZ LYS 31 HZ1 LYS 31 10.247 5.045 -17.873 213 2HZ LYS 31 HZ2 LYS 31 11.041 6.473 -18.058 214 3HZ LYS 31 HZ3 LYS 31 11.780 5.063 -18.468 215 H GLY 32 H GLY 32 7.705 3.562 -13.117 216 1HA GLY 32 HA2 GLY 32 6.353 2.160 -11.903 217 2HA GLY 32 HA3 GLY 32 7.623 2.333 -10.691 218 H ASN 33 H ASN 33 7.019 3.113 -8.766 219 HA ASN 33 HA ASN 33 4.871 5.098 -8.494 220 1HB ASN 33 HB2 ASN 33 3.491 3.895 -7.059 221 2HB ASN 33 HB3 ASN 33 3.873 2.687 -8.280 222 1HD2 ASN 33 HD22 ASN 33 6.130 1.436 -7.606 223 2HD2 ASN 33 HD21 ASN 33 6.334 1.077 -5.909 224 H TRP 34 H TRP 34 7.972 4.565 -7.968 225 HA TRP 34 HA TRP 34 8.291 4.368 -5.148 226 1HB TRP 34 HB2 TRP 34 10.393 5.530 -6.984 227 2HB TRP 34 HB3 TRP 34 10.587 4.529 -5.558 228 HD1 TRP 34 HD1 TRP 34 9.808 4.381 -9.278 229 HE1 TRP 34 HE1 TRP 34 10.148 2.006 -10.190 230 HE3 TRP 34 HE3 TRP 34 10.827 1.955 -4.869 231 HZ2 TRP 34 HZ2 TRP 34 11.002 -0.503 -9.195 232 HZ3 TRP 34 HZ3 TRP 34 11.467 -0.432 -4.901 233 HH2 TRP 34 HH2 TRP 34 11.578 -1.683 -7.045 234 H VAL 35 H VAL 35 8.316 5.948 -3.632 235 HA VAL 35 HA VAL 35 8.171 8.788 -4.393 236 HB VAL 35 HB VAL 35 8.486 7.470 -1.660 237 1HG1 VAL 35 HG11 VAL 35 7.752 10.333 -2.421 238 2HG1 VAL 35 HG12 VAL 35 7.731 9.667 -0.775 239 3HG1 VAL 35 HG13 VAL 35 9.263 9.808 -1.643 240 1HG2 VAL 35 HG21 VAL 35 6.080 7.995 -1.345 241 2HG2 VAL 35 HG22 VAL 35 5.982 8.522 -3.040 242 3HG2 VAL 35 HG23 VAL 35 6.333 6.826 -2.642 243 H VAL 36 H VAL 36 10.045 9.862 -4.931 244 HA VAL 36 HA VAL 36 12.578 8.423 -4.721 245 HB VAL 36 HB VAL 36 11.970 11.184 -5.862 246 1HG1 VAL 36 HG11 VAL 36 14.291 9.267 -6.388 247 2HG1 VAL 36 HG12 VAL 36 14.008 10.809 -7.227 248 3HG1 VAL 36 HG13 VAL 36 14.385 10.805 -5.505 249 1HG2 VAL 36 HG21 VAL 36 11.842 10.134 -8.068 250 2HG2 VAL 36 HG22 VAL 36 12.031 8.516 -7.342 251 3HG2 VAL 36 HG23 VAL 36 10.579 9.491 -7.034 252 H ILE 37 H ILE 37 14.194 8.844 -3.291 253 HA ILE 37 HA ILE 37 14.331 11.427 -1.861 254 HB ILE 37 HB ILE 37 14.587 8.631 -0.650 255 1HG1 ILE 37 HG12 ILE 37 12.815 11.014 0.095 256 2HG1 ILE 37 HG13 ILE 37 12.278 9.544 -0.726 257 1HG2 ILE 37 HG21 ILE 37 16.470 10.069 0.152 258 2HG2 ILE 37 HG22 ILE 37 15.289 11.278 0.703 259 3HG2 ILE 37 HG23 ILE 37 15.356 9.657 1.433 260 1HD1 ILE 37 HD11 ILE 37 13.216 9.770 2.146 261 2HD1 ILE 37 HD12 ILE 37 11.600 9.387 1.539 262 3HD1 ILE 37 HD13 ILE 37 12.922 8.232 1.291 263 H ASP 38 H ASP 38 16.508 12.098 -1.684 264 HA ASP 38 HA ASP 38 18.615 10.391 -2.921 265 1HB ASP 38 HB2 ASP 38 18.101 11.939 -4.651 266 2HB ASP 38 HB3 ASP 38 18.018 13.296 -3.523 267 H GLY 39 H GLY 39 19.848 9.930 -1.219 268 1HA GLY 39 HA2 GLY 39 19.960 11.666 1.143 269 2HA GLY 39 HA3 GLY 39 20.685 10.067 0.920 270 H GLY 40 H GLY 40 21.622 11.708 -1.826 271 1HA GLY 40 HA2 GLY 40 23.700 12.419 -2.483 272 2HA GLY 40 HA3 GLY 40 23.821 13.309 -0.949 273 H SER 41 H SER 41 26.000 12.668 -0.483 274 HA SER 41 HA SER 41 26.610 9.816 -0.328 275 1HB SER 41 HB2 SER 41 28.884 10.801 0.349 276 2HB SER 41 HB3 SER 41 28.282 11.066 -1.293 277 HG SER 41 HG SER 41 29.168 12.947 -0.011 278 H ALA 42 H ALA 42 24.723 11.530 1.653 279 HA ALA 42 HA ALA 42 25.798 10.355 4.157 280 1HB ALA 42 HB1 ALA 42 26.555 12.703 4.092 281 2HB ALA 42 HB2 ALA 42 24.880 13.243 3.830 282 3HB ALA 42 HB3 ALA 42 25.336 12.453 5.355 283 HA PRO 43 HA PRO 43 21.244 9.907 3.070 284 1HB PRO 43 HB2 PRO 43 20.941 7.213 2.914 285 2HB PRO 43 HB3 PRO 43 21.654 8.166 1.586 286 1HG PRO 43 HG2 PRO 43 23.163 6.693 3.780 287 2HG PRO 43 HG3 PRO 43 23.381 6.538 2.011 288 1HD PRO 43 HD2 PRO 43 24.942 8.214 3.462 289 2HD PRO 43 HD3 PRO 43 24.333 8.714 1.854 290 H GLU 44 H GLU 44 23.209 8.713 5.707 291 HA GLU 44 HA GLU 44 21.215 7.715 7.421 292 1HB GLU 44 HB2 GLU 44 22.713 8.455 9.270 293 2HB GLU 44 HB3 GLU 44 23.465 7.431 8.051 294 1HG GLU 44 HG2 GLU 44 24.596 9.332 7.042 295 2HG GLU 44 HG3 GLU 44 23.754 10.460 8.111 296 H ASN 45 H ASN 45 21.980 11.053 6.551 297 HA ASN 45 HA ASN 45 20.493 12.358 8.562 298 1HB ASN 45 HB2 ASN 45 20.922 14.263 7.420 299 2HB ASN 45 HB3 ASN 45 22.067 13.245 6.552 300 1HD2 ASN 45 HD22 ASN 45 21.404 12.442 4.366 301 2HD2 ASN 45 HD21 ASN 45 19.947 13.071 3.580 302 H ASP 46 H ASP 46 19.412 10.569 5.779 303 HA ASP 46 HA ASP 46 16.717 11.815 5.792 304 1HB ASP 46 HB2 ASP 46 18.355 10.327 3.748 305 2HB ASP 46 HB3 ASP 46 16.607 10.214 3.650 306 H ILE 47 H ILE 47 18.185 9.198 7.319 307 HA ILE 47 HA ILE 47 16.272 7.126 7.041 308 HB ILE 47 HB ILE 47 18.058 7.988 9.339 309 1HG1 ILE 47 HG12 ILE 47 18.168 5.581 7.455 310 2HG1 ILE 47 HG13 ILE 47 19.045 7.081 7.182 311 1HG2 ILE 47 HG21 ILE 47 17.610 5.861 10.477 312 2HG2 ILE 47 HG22 ILE 47 16.133 6.794 10.348 313 3HG2 ILE 47 HG23 ILE 47 16.407 5.426 9.246 314 1HD1 ILE 47 HD11 ILE 47 20.227 6.744 9.382 315 2HD1 ILE 47 HD12 ILE 47 19.480 5.131 9.472 316 3HD1 ILE 47 HD13 ILE 47 20.581 5.522 8.147 317 H VAL 48 H VAL 48 16.207 10.050 9.147 318 HA VAL 48 HA VAL 48 13.778 9.390 10.466 319 HB VAL 48 HB VAL 48 14.922 12.144 9.815 320 1HG1 VAL 48 HG11 VAL 48 12.991 11.264 12.011 321 2HG1 VAL 48 HG12 VAL 48 13.705 12.884 11.845 322 3HG1 VAL 48 HG13 VAL 48 12.590 12.286 10.613 323 1HG2 VAL 48 HG21 VAL 48 15.408 10.324 12.219 324 2HG2 VAL 48 HG22 VAL 48 16.613 10.816 11.009 325 3HG2 VAL 48 HG23 VAL 48 15.928 12.018 12.097 326 H ALA 49 H ALA 49 14.410 11.021 7.328 327 HA ALA 49 HA ALA 49 11.717 11.896 6.934 328 1HB ALA 49 HB1 ALA 49 13.648 12.919 5.763 329 2HB ALA 49 HB2 ALA 49 13.916 11.394 4.883 330 3HB ALA 49 HB3 ALA 49 12.428 12.320 4.621 331 H ILE 50 H ILE 50 13.585 9.097 5.723 332 HA ILE 50 HA ILE 50 11.518 7.753 4.351 333 HB ILE 50 HB ILE 50 13.868 6.643 5.948 334 1HG1 ILE 50 HG12 ILE 50 13.683 6.929 2.925 335 2HG1 ILE 50 HG13 ILE 50 14.312 8.237 3.915 336 1HG2 ILE 50 HG21 ILE 50 12.156 5.281 3.819 337 2HG2 ILE 50 HG22 ILE 50 13.606 4.590 4.573 338 3HG2 ILE 50 HG23 ILE 50 12.172 4.881 5.550 339 1HD1 ILE 50 HD11 ILE 50 15.494 5.454 3.654 340 2HD1 ILE 50 HD12 ILE 50 16.167 7.001 3.104 341 3HD1 ILE 50 HD13 ILE 50 16.043 6.667 4.836 342 H ARG 51 H ARG 51 12.402 7.625 7.879 343 HA ARG 51 HA ARG 51 10.382 5.664 8.418 344 1HB ARG 51 HB2 ARG 51 11.984 7.484 10.247 345 2HB ARG 51 HB3 ARG 51 10.788 6.324 10.851 346 1HG ARG 51 HG2 ARG 51 11.973 4.459 9.727 347 2HG ARG 51 HG3 ARG 51 13.145 5.591 9.072 348 1HD ARG 51 HD2 ARG 51 14.206 4.565 10.894 349 2HD ARG 51 HD3 ARG 51 13.803 6.191 11.439 350 HE ARG 51 HE ARG 51 11.747 5.117 12.494 351 1HH1 ARG 51 HH21 ARG 51 14.706 3.140 12.068 352 2HH1 ARG 51 HH22 ARG 51 14.448 2.250 13.537 353 1HH2 ARG 51 HH11 ARG 51 11.424 3.847 14.388 354 2HH2 ARG 51 HH12 ARG 51 12.564 2.624 14.811 355 H GLU 52 H GLU 52 10.061 9.200 8.194 356 HA GLU 52 HA GLU 52 7.495 9.315 9.490 357 1HB GLU 52 HB2 GLU 52 8.645 10.946 7.184 358 2HB GLU 52 HB3 GLU 52 7.090 11.275 7.924 359 1HG GLU 52 HG2 GLU 52 9.732 11.333 9.425 360 2HG GLU 52 HG3 GLU 52 8.925 12.730 8.730 361 H LEU 53 H LEU 53 8.519 8.322 6.208 362 HA LEU 53 HA LEU 53 5.810 8.054 5.225 363 1HB LEU 53 HB2 LEU 53 8.370 6.896 4.062 364 2HB LEU 53 HB3 LEU 53 6.830 7.100 3.246 365 HG LEU 53 HG LEU 53 8.742 9.291 4.128 366 1HD1 LEU 53 HD11 LEU 53 9.389 8.075 2.103 367 2HD1 LEU 53 HD12 LEU 53 7.796 8.386 1.381 368 3HD1 LEU 53 HD13 LEU 53 8.911 9.733 1.716 369 1HD2 LEU 53 HD21 LEU 53 7.194 10.893 3.021 370 2HD2 LEU 53 HD22 LEU 53 5.983 9.597 2.875 371 3HD2 LEU 53 HD23 LEU 53 6.506 10.180 4.476 372 H ARG 54 H ARG 54 7.846 6.164 7.178 373 HA ARG 54 HA ARG 54 8.288 3.945 7.410 374 1HB ARG 54 HB2 ARG 54 6.608 2.898 8.747 375 2HB ARG 54 HB3 ARG 54 6.978 4.531 9.242 376 1HG ARG 54 HG2 ARG 54 4.864 5.338 8.257 377 2HG ARG 54 HG3 ARG 54 4.456 3.691 7.745 378 1HD ARG 54 HD2 ARG 54 4.807 4.697 10.591 379 2HD ARG 54 HD3 ARG 54 3.304 4.166 9.814 380 HE ARG 54 HE ARG 54 5.460 2.159 9.931 381 1HH1 ARG 54 HH11 ARG 54 2.573 3.364 11.629 382 2HH1 ARG 54 HH12 ARG 54 2.421 1.951 12.608 383 1HH2 ARG 54 HH21 ARG 54 5.334 0.427 11.189 384 2HH2 ARG 54 HH22 ARG 54 4.037 0.175 12.339 385 HA PRO 55 HA PRO 55 6.611 2.820 3.263 386 1HB PRO 55 HB2 PRO 55 9.394 1.727 2.932 387 2HB PRO 55 HB3 PRO 55 8.396 2.661 1.773 388 1HG PRO 55 HG2 PRO 55 10.398 3.869 3.130 389 2HG PRO 55 HG3 PRO 55 8.809 4.693 2.945 390 1HD PRO 55 HD2 PRO 55 9.822 3.169 5.344 391 2HD PRO 55 HD3 PRO 55 9.030 4.756 5.244 392 H THR 56 H THR 56 5.978 0.865 2.333 393 HA THR 56 HA THR 56 6.084 -1.573 3.887 394 HB THR 56 HB THR 56 5.319 -1.195 0.962 395 HG1 THR 56 HG1 THR 56 3.864 -0.530 3.297 396 1HG2 THR 56 HG21 THR 56 3.645 -2.931 1.445 397 2HG2 THR 56 HG22 THR 56 5.277 -3.519 1.804 398 3HG2 THR 56 HG23 THR 56 4.203 -3.025 3.132 399 H ARG 57 H ARG 57 7.837 -0.075 1.166 400 HA ARG 57 HA ARG 57 9.915 -2.163 1.305 401 1HB ARG 57 HB2 ARG 57 8.342 -2.998 -0.340 402 2HB ARG 57 HB3 ARG 57 8.295 -1.438 -1.160 403 1HG ARG 57 HG2 ARG 57 10.641 -1.726 -1.903 404 2HG ARG 57 HG3 ARG 57 10.764 -3.224 -0.961 405 1HD ARG 57 HD2 ARG 57 10.400 -3.755 -3.296 406 2HD ARG 57 HD3 ARG 57 8.974 -4.216 -2.349 407 HE ARG 57 HE ARG 57 8.902 -1.529 -3.560 408 1HH1 ARG 57 HH21 ARG 57 7.901 -4.937 -3.838 409 2HH1 ARG 57 HH22 ARG 57 6.690 -4.636 -5.029 410 1HH2 ARG 57 HH11 ARG 57 7.390 -1.140 -5.198 411 2HH2 ARG 57 HH12 ARG 57 6.407 -2.420 -5.856 412 H LEU 58 H LEU 58 11.919 -1.508 0.388 413 HA LEU 58 HA LEU 58 12.234 1.300 -0.515 414 1HB LEU 58 HB2 LEU 58 12.593 1.400 1.881 415 2HB LEU 58 HB3 LEU 58 13.595 -0.054 1.848 416 HG LEU 58 HG LEU 58 15.352 1.148 0.607 417 1HD1 LEU 58 HD11 LEU 58 13.584 3.603 0.989 418 2HD1 LEU 58 HD12 LEU 58 15.257 3.603 0.407 419 3HD1 LEU 58 HD13 LEU 58 14.001 2.865 -0.578 420 1HD2 LEU 58 HD21 LEU 58 15.356 1.106 3.097 421 2HD2 LEU 58 HD22 LEU 58 16.090 2.583 2.457 422 3HD2 LEU 58 HD23 LEU 58 14.434 2.621 3.106 423 H LEU 59 H LEU 59 13.750 1.432 -2.117 424 HA LEU 59 HA LEU 59 15.661 -0.813 -2.550 425 1HB LEU 59 HB2 LEU 59 14.020 -1.060 -4.297 426 2HB LEU 59 HB3 LEU 59 13.941 0.690 -4.549 427 HG LEU 59 HG LEU 59 16.253 0.681 -5.462 428 1HD1 LEU 59 HD11 LEU 59 16.047 -2.357 -5.281 429 2HD1 LEU 59 HD12 LEU 59 17.339 -1.436 -6.074 430 3HD1 LEU 59 HD13 LEU 59 17.159 -1.352 -4.324 431 1HD2 LEU 59 HD21 LEU 59 15.695 -0.379 -7.597 432 2HD2 LEU 59 HD22 LEU 59 14.367 -1.280 -6.830 433 3HD2 LEU 59 HD23 LEU 59 14.295 0.489 -6.947 434 H ILE 60 H ILE 60 17.729 -0.075 -2.654 435 HA ILE 60 HA ILE 60 18.171 2.853 -2.628 436 HB ILE 60 HB ILE 60 19.799 0.677 -1.295 437 1HG1 ILE 60 HG12 ILE 60 17.788 2.406 0.207 438 2HG1 ILE 60 HG13 ILE 60 17.407 0.782 -0.341 439 1HG2 ILE 60 HG21 ILE 60 20.970 2.836 -1.660 440 2HG2 ILE 60 HG22 ILE 60 19.660 3.697 -0.842 441 3HG2 ILE 60 HG23 ILE 60 20.699 2.589 0.059 442 1HD1 ILE 60 HD11 ILE 60 19.223 -0.181 0.930 443 2HD1 ILE 60 HD12 ILE 60 19.631 1.419 1.602 444 3HD1 ILE 60 HD13 ILE 60 18.058 0.685 1.949 445 H VAL 61 H VAL 61 20.039 3.628 -3.843 446 HA VAL 61 HA VAL 61 21.404 1.623 -5.560 447 HB VAL 61 HB VAL 61 20.009 4.108 -6.630 448 1HG1 VAL 61 HG11 VAL 61 21.978 3.628 -7.949 449 2HG1 VAL 61 HG12 VAL 61 21.607 1.891 -7.981 450 3HG1 VAL 61 HG13 VAL 61 20.594 3.047 -8.867 451 1HG2 VAL 61 HG21 VAL 61 18.281 2.468 -6.121 452 2HG2 VAL 61 HG22 VAL 61 18.521 2.531 -7.865 453 3HG2 VAL 61 HG23 VAL 61 19.207 1.189 -6.928 454 H ASP 62 H ASP 62 23.488 2.070 -5.951 455 HA ASP 62 HA ASP 62 24.664 4.680 -6.085 456 1HB ASP 62 HB2 ASP 62 24.555 4.339 -3.614 457 2HB ASP 62 HB3 ASP 62 25.510 2.868 -3.795 458 H ALA 63 H ALA 63 27.182 4.198 -6.375 459 HA ALA 63 HA ALA 63 27.579 1.899 -8.151 460 1HB ALA 63 HB1 ALA 63 29.527 3.989 -7.070 461 2HB ALA 63 HB2 ALA 63 29.880 2.783 -8.325 462 3HB ALA 63 HB3 ALA 63 28.694 4.059 -8.645 463 H THR 64 H THR 64 29.265 0.268 -7.632 464 HA THR 64 HA THR 64 30.174 0.000 -4.855 465 HB THR 64 HB THR 64 28.606 -2.288 -6.110 466 HG1 THR 64 HG1 THR 64 27.595 -0.151 -4.609 467 1HG2 THR 64 HG21 THR 64 29.310 -1.598 -3.226 468 2HG2 THR 64 HG22 THR 64 28.440 -3.044 -3.773 469 3HG2 THR 64 HG23 THR 64 30.129 -2.812 -4.236 470 H ASP 65 H ASP 65 32.268 -0.886 -4.998 471 HA ASP 65 HA ASP 65 33.209 -1.815 -7.608 472 1HB ASP 65 HB2 ASP 65 34.718 -0.482 -6.268 473 2HB ASP 65 HB3 ASP 65 34.659 -1.670 -4.953 474 H MET 66 H MET 66 31.912 -3.580 -8.007 475 HA MET 66 HA MET 66 31.649 -5.801 -6.142 476 1HB MET 66 HB2 MET 66 30.726 -5.336 -9.028 477 2HB MET 66 HB3 MET 66 30.332 -6.768 -8.061 478 1HG MET 66 HG2 MET 66 29.341 -5.293 -6.310 479 2HG MET 66 HG3 MET 66 29.599 -3.903 -7.348 480 1HE MET 66 HE1 MET 66 28.726 -4.356 -10.150 481 2HE MET 66 HE2 MET 66 26.965 -4.121 -10.074 482 3HE MET 66 HE3 MET 66 28.044 -3.088 -9.110 483 H GLY 67 H GLY 67 34.077 -4.878 -8.374 484 1HA GLY 67 HA2 GLY 67 35.948 -6.007 -9.116 485 2HA GLY 67 HA3 GLY 67 35.414 -7.484 -8.290 486 H LEU 68 H LEU 68 33.362 -5.620 -10.511 487 HA LEU 68 HA LEU 68 33.379 -7.881 -12.468 488 1HB LEU 68 HB2 LEU 68 31.249 -5.780 -11.900 489 2HB LEU 68 HB3 LEU 68 31.128 -7.049 -13.117 490 HG LEU 68 HG LEU 68 31.313 -7.530 -10.140 491 1HD1 LEU 68 HD11 LEU 68 28.949 -8.182 -10.305 492 2HD1 LEU 68 HD12 LEU 68 29.164 -6.507 -10.829 493 3HD1 LEU 68 HD13 LEU 68 28.944 -7.785 -12.039 494 1HD2 LEU 68 HD21 LEU 68 30.815 -9.489 -12.422 495 2HD2 LEU 68 HD22 LEU 68 32.247 -9.426 -11.370 496 3HD2 LEU 68 HD23 LEU 68 30.685 -9.856 -10.687 497 H ASN 69 H ASN 69 32.287 -6.664 -14.582 498 HA ASN 69 HA ASN 69 34.405 -4.915 -15.662 499 1HB ASN 69 HB2 ASN 69 33.284 -6.691 -17.049 500 2HB ASN 69 HB3 ASN 69 31.761 -5.814 -16.904 501 1HD2 ASN 69 HD22 ASN 69 31.657 -3.546 -17.950 502 2HD2 ASN 69 HD21 ASN 69 32.729 -3.275 -19.291 503 HA PRO 70 HA PRO 70 32.347 -1.055 -14.424 504 1HB PRO 70 HB2 PRO 70 33.043 -0.351 -17.286 505 2HB PRO 70 HB3 PRO 70 33.097 0.693 -15.830 506 1HG PRO 70 HG2 PRO 70 35.370 -0.464 -16.692 507 2HG PRO 70 HG3 PRO 70 34.972 -0.543 -14.944 508 1HD PRO 70 HD2 PRO 70 34.632 -2.685 -17.030 509 2HD PRO 70 HD3 PRO 70 35.208 -2.818 -15.338 510 H GLY 71 H GLY 71 30.266 -0.362 -14.444 511 1HA GLY 71 HA2 GLY 71 28.163 0.105 -15.203 512 2HA GLY 71 HA3 GLY 71 28.615 -0.432 -16.826 513 H GLU 72 H GLU 72 29.380 -3.029 -14.747 514 HA GLU 72 HA GLU 72 26.970 -4.522 -15.379 515 1HB GLU 72 HB2 GLU 72 29.376 -5.003 -13.570 516 2HB GLU 72 HB3 GLU 72 28.000 -6.097 -13.588 517 1HG GLU 72 HG2 GLU 72 29.631 -5.387 -16.059 518 2HG GLU 72 HG3 GLU 72 29.878 -6.824 -15.067 519 H ILE 73 H ILE 73 25.368 -5.125 -13.912 520 HA ILE 73 HA ILE 73 24.967 -3.361 -11.554 521 HB ILE 73 HB ILE 73 22.954 -4.298 -13.650 522 1HG1 ILE 73 HG12 ILE 73 23.764 -1.406 -13.209 523 2HG1 ILE 73 HG13 ILE 73 24.587 -2.412 -14.387 524 1HG2 ILE 73 HG21 ILE 73 21.860 -4.090 -11.509 525 2HG2 ILE 73 HG22 ILE 73 22.710 -2.569 -11.167 526 3HG2 ILE 73 HG23 ILE 73 21.442 -2.641 -12.410 527 1HD1 ILE 73 HD11 ILE 73 21.608 -1.830 -14.458 528 2HD1 ILE 73 HD12 ILE 73 22.858 -1.089 -15.467 529 3HD1 ILE 73 HD13 ILE 73 22.524 -2.822 -15.612 530 H ARG 74 H ARG 74 24.227 -4.500 -9.695 531 HA ARG 74 HA ARG 74 23.097 -7.219 -10.043 532 1HB ARG 74 HB2 ARG 74 25.443 -6.660 -8.207 533 2HB ARG 74 HB3 ARG 74 24.512 -8.142 -8.246 534 1HG ARG 74 HG2 ARG 74 26.170 -7.136 -10.584 535 2HG ARG 74 HG3 ARG 74 26.721 -8.293 -9.373 536 1HD ARG 74 HD2 ARG 74 24.932 -9.859 -9.988 537 2HD ARG 74 HD3 ARG 74 24.337 -8.743 -11.219 538 HE ARG 74 HE ARG 74 26.678 -10.501 -11.331 539 1HH1 ARG 74 HH21 ARG 74 25.135 -7.640 -12.886 540 2HH1 ARG 74 HH22 ARG 74 26.172 -7.814 -14.309 541 1HH2 ARG 74 HH11 ARG 74 27.923 -10.600 -13.284 542 2HH2 ARG 74 HH12 ARG 74 27.655 -9.350 -14.509 543 H ILE 75 H ILE 75 21.835 -7.856 -8.224 544 HA ILE 75 HA ILE 75 21.029 -5.690 -6.348 545 HB ILE 75 HB ILE 75 20.177 -8.617 -6.555 546 1HG1 ILE 75 HG12 ILE 75 19.394 -7.509 -8.505 547 2HG1 ILE 75 HG13 ILE 75 18.029 -7.727 -7.433 548 1HG2 ILE 75 HG21 ILE 75 19.062 -6.373 -4.827 549 2HG2 ILE 75 HG22 ILE 75 18.259 -7.936 -5.101 550 3HG2 ILE 75 HG23 ILE 75 19.814 -7.884 -4.279 551 1HD1 ILE 75 HD11 ILE 75 17.906 -5.551 -8.468 552 2HD1 ILE 75 HD12 ILE 75 18.180 -5.350 -6.728 553 3HD1 ILE 75 HD13 ILE 75 19.526 -5.130 -7.885 554 H ILE 76 H ILE 76 21.595 -5.768 -4.088 555 HA ILE 76 HA ILE 76 23.672 -7.779 -3.356 556 HB ILE 76 HB ILE 76 23.805 -4.903 -2.453 557 1HG1 ILE 76 HG12 ILE 76 25.418 -6.084 -4.765 558 2HG1 ILE 76 HG13 ILE 76 24.071 -4.969 -4.990 559 1HG2 ILE 76 HG21 ILE 76 26.078 -5.602 -1.765 560 2HG2 ILE 76 HG22 ILE 76 24.944 -6.823 -1.191 561 3HG2 ILE 76 HG23 ILE 76 25.904 -7.132 -2.635 562 1HD1 ILE 76 HD11 ILE 76 26.265 -3.850 -5.092 563 2HD1 ILE 76 HD12 ILE 76 25.172 -3.180 -3.860 564 3HD1 ILE 76 HD13 ILE 76 26.539 -4.227 -3.391 565 H ASP 77 H ASP 77 22.938 -8.949 -1.699 566 HA ASP 77 HA ASP 77 20.597 -8.220 -0.144 567 1HB ASP 77 HB2 ASP 77 21.142 -10.556 -0.715 568 2HB ASP 77 HB3 ASP 77 22.651 -10.445 0.193 569 HA PRO 78 HA PRO 78 22.704 -5.707 2.898 570 1HB PRO 78 HB2 PRO 78 20.947 -7.190 4.857 571 2HB PRO 78 HB3 PRO 78 21.342 -5.439 4.807 572 1HG PRO 78 HG2 PRO 78 19.005 -6.317 3.754 573 2HG PRO 78 HG3 PRO 78 19.989 -5.121 2.854 574 1HD PRO 78 HD2 PRO 78 19.745 -8.076 2.377 575 2HD PRO 78 HD3 PRO 78 19.847 -6.725 1.204 576 H ASP 79 H ASP 79 22.611 -9.214 3.528 577 HA ASP 79 HA ASP 79 24.639 -9.160 5.602 578 1HB ASP 79 HB2 ASP 79 23.059 -11.035 5.311 579 2HB ASP 79 HB3 ASP 79 23.762 -11.388 3.729 580 H ASP 80 H ASP 80 24.708 -8.941 2.119 581 HA ASP 80 HA ASP 80 27.587 -9.655 1.953 582 1HB ASP 80 HB2 ASP 80 25.974 -10.808 0.458 583 2HB ASP 80 HB3 ASP 80 25.503 -9.249 -0.221 584 H ILE 81 H ILE 81 25.299 -6.983 1.538 585 HA ILE 81 HA ILE 81 26.921 -4.968 0.432 586 HB ILE 81 HB ILE 81 24.855 -4.877 2.665 587 1HG1 ILE 81 HG12 ILE 81 24.699 -4.144 -0.290 588 2HG1 ILE 81 HG13 ILE 81 24.003 -5.568 0.474 589 1HG2 ILE 81 HG21 ILE 81 24.645 -2.516 2.534 590 2HG2 ILE 81 HG22 ILE 81 26.352 -2.831 2.823 591 3HG2 ILE 81 HG23 ILE 81 25.789 -2.395 1.198 592 1HD1 ILE 81 HD11 ILE 81 22.658 -3.876 1.933 593 2HD1 ILE 81 HD12 ILE 81 23.099 -2.709 0.679 594 3HD1 ILE 81 HD13 ILE 81 22.173 -4.173 0.263 595 H ALA 82 H ALA 82 26.758 -6.163 3.757 596 HA ALA 82 HA ALA 82 28.513 -4.381 5.002 597 1HB ALA 82 HB1 ALA 82 27.971 -7.308 5.638 598 2HB ALA 82 HB2 ALA 82 28.598 -6.091 6.771 599 3HB ALA 82 HB3 ALA 82 26.944 -5.938 6.139 600 H GLU 83 H GLU 83 29.374 -6.854 2.716 601 HA GLU 83 HA GLU 83 32.220 -6.666 3.560 602 1HB GLU 83 HB2 GLU 83 30.718 -9.099 2.513 603 2HB GLU 83 HB3 GLU 83 32.470 -9.011 2.745 604 1HG GLU 83 HG2 GLU 83 32.061 -8.486 5.184 605 2HG GLU 83 HG3 GLU 83 30.351 -8.842 4.923 606 H MET 84 H MET 84 30.125 -5.630 1.296 607 HA MET 84 HA MET 84 32.141 -5.876 -0.909 608 1HB MET 84 HB2 MET 84 29.103 -5.919 -1.020 609 2HB MET 84 HB3 MET 84 30.095 -5.546 -2.430 610 1HG MET 84 HG2 MET 84 30.382 -8.085 -0.792 611 2HG MET 84 HG3 MET 84 29.459 -7.936 -2.284 612 1HE MET 84 HE1 MET 84 30.770 -10.040 -3.176 613 2HE MET 84 HE2 MET 84 32.544 -10.128 -3.309 614 3HE MET 84 HE3 MET 84 31.771 -10.095 -1.707 615 H PHE 85 H PHE 85 30.195 -3.551 0.933 616 HA PHE 85 HA PHE 85 30.649 -1.517 -1.105 617 1HB PHE 85 HB2 PHE 85 29.398 -1.529 1.609 618 2HB PHE 85 HB3 PHE 85 30.037 0.001 0.997 619 HD1 PHE 85 HD1 PHE 85 27.877 -2.904 -0.073 620 HD2 PHE 85 HD2 PHE 85 28.902 1.249 -0.670 621 HE1 PHE 85 HE1 PHE 85 26.051 -2.684 -1.711 622 HE2 PHE 85 HE2 PHE 85 27.112 1.432 -2.373 623 HZ PHE 85 HZ PHE 85 25.729 -0.559 -2.928 624 H MET 86 H MET 86 32.373 -2.372 1.920 625 HA MET 86 HA MET 86 34.307 -0.256 1.396 626 1HB MET 86 HB2 MET 86 35.305 -0.728 3.375 627 2HB MET 86 HB3 MET 86 33.612 -1.072 3.704 628 1HG MET 86 HG2 MET 86 35.887 -3.035 3.284 629 2HG MET 86 HG3 MET 86 34.938 -2.791 4.739 630 1HE MET 86 HE1 MET 86 35.838 -5.484 3.170 631 2HE MET 86 HE2 MET 86 35.022 -5.540 4.750 632 3HE MET 86 HE3 MET 86 34.417 -6.518 3.393 633 H MET 87 H MET 87 33.809 -2.963 -0.373 634 HA MET 87 HA MET 87 36.453 -4.019 -0.717 635 1HB MET 87 HB2 MET 87 34.270 -4.973 -1.618 636 2HB MET 87 HB3 MET 87 34.268 -3.666 -2.807 637 1HG MET 87 HG2 MET 87 35.124 -5.684 -3.809 638 2HG MET 87 HG3 MET 87 36.390 -4.472 -3.729 639 1HE MET 87 HE1 MET 87 34.997 -7.870 -2.413 640 2HE MET 87 HE2 MET 87 36.162 -8.342 -1.157 641 3HE MET 87 HE3 MET 87 35.048 -6.994 -0.866 642 H THR 88 H THR 88 34.860 -1.041 -1.655 643 HA THR 88 HA THR 88 36.646 0.056 -3.558 644 HB THR 88 HB THR 88 35.694 2.207 -2.628 645 HG1 THR 88 HG1 THR 88 33.969 0.746 -0.979 646 1HG2 THR 88 HG21 THR 88 33.330 1.769 -3.174 647 2HG2 THR 88 HG22 THR 88 34.419 1.029 -4.357 648 3HG2 THR 88 HG23 THR 88 33.624 0.015 -3.135 649 H THR 89 H THR 89 37.253 -0.776 -0.262 650 HA THR 89 HA THR 89 38.706 -0.277 1.299 651 HB THR 89 HB THR 89 40.521 1.048 -0.740 652 HG1 THR 89 HG1 THR 89 39.674 -0.978 -1.503 653 1HG2 THR 89 HG21 THR 89 41.079 -0.691 1.714 654 2HG2 THR 89 HG22 THR 89 42.307 -0.103 0.570 655 3HG2 THR 89 HG23 THR 89 41.413 1.045 1.564 656 H HIS 90 H HIS 90 36.516 1.637 0.502 657 HA HIS 90 HA HIS 90 37.493 4.046 1.960 658 1HB HIS 90 HB2 HIS 90 36.323 3.921 -0.839 659 2HB HIS 90 HB3 HIS 90 36.295 5.386 0.139 660 HD1 HIS 90 HD1 HIS 90 38.777 3.250 -1.856 661 HD2 HIS 90 HD2 HIS 90 38.614 6.702 0.554 662 HE1 HIS 90 HE1 HIS 90 40.980 4.480 -2.213 663 H ASN 91 H ASN 91 34.594 2.635 0.258 664 HA ASN 91 HA ASN 91 32.843 4.439 1.599 665 1HB ASN 91 HB2 ASN 91 32.525 3.096 -0.641 666 2HB ASN 91 HB3 ASN 91 31.880 1.830 0.404 667 1HD2 ASN 91 HD22 ASN 91 29.855 2.380 1.722 668 2HD2 ASN 91 HD21 ASN 91 28.869 3.699 1.144 669 H MET 92 H MET 92 31.333 4.091 3.287 670 HA MET 92 HA MET 92 32.081 2.186 5.329 671 1HB MET 92 HB2 MET 92 29.724 4.084 4.973 672 2HB MET 92 HB3 MET 92 29.922 3.058 6.399 673 1HG MET 92 HG2 MET 92 31.920 5.150 5.465 674 2HG MET 92 HG3 MET 92 30.738 5.356 6.756 675 1HE MET 92 HE1 MET 92 32.673 6.202 8.347 676 2HE MET 92 HE2 MET 92 34.163 5.287 8.666 677 3HE MET 92 HE3 MET 92 33.860 5.951 7.046 678 HA PRO 93 HA PRO 93 29.532 -1.210 3.961 679 1HB PRO 93 HB2 PRO 93 29.083 -2.599 6.262 680 2HB PRO 93 HB3 PRO 93 30.712 -2.426 5.548 681 1HG PRO 93 HG2 PRO 93 29.481 -0.796 7.793 682 2HG PRO 93 HG3 PRO 93 31.095 -1.574 7.744 683 1HD PRO 93 HD2 PRO 93 30.695 1.070 7.133 684 2HD PRO 93 HD3 PRO 93 31.955 0.088 6.325 685 H LEU 94 H LEU 94 27.897 0.324 3.297 686 HA LEU 94 HA LEU 94 26.074 1.678 4.683 687 1HB LEU 94 HB2 LEU 94 26.222 0.655 1.910 688 2HB LEU 94 HB3 LEU 94 24.607 1.135 2.402 689 HG LEU 94 HG LEU 94 27.008 2.939 2.878 690 1HD1 LEU 94 HD11 LEU 94 25.141 2.933 0.462 691 2HD1 LEU 94 HD12 LEU 94 26.388 4.148 0.814 692 3HD1 LEU 94 HD13 LEU 94 26.852 2.478 0.453 693 1HD2 LEU 94 HD21 LEU 94 25.301 4.719 2.978 694 2HD2 LEU 94 HD22 LEU 94 24.013 3.544 2.625 695 3HD2 LEU 94 HD23 LEU 94 24.902 3.462 4.153 696 H ASN 95 H ASN 95 25.824 -1.680 4.771 697 HA ASN 95 HA ASN 95 23.051 -2.041 5.202 698 1HB ASN 95 HB2 ASN 95 23.556 -4.097 5.981 699 2HB ASN 95 HB3 ASN 95 25.074 -3.788 5.160 700 1HD2 ASN 95 HD22 ASN 95 26.692 -2.377 6.926 701 2HD2 ASN 95 HD21 ASN 95 26.790 -3.243 8.431 702 H TYR 96 H TYR 96 25.392 -0.261 7.160 703 HA TYR 96 HA TYR 96 24.079 -0.355 9.657 704 1HB TYR 96 HB2 TYR 96 25.276 1.627 10.221 705 2HB TYR 96 HB3 TYR 96 26.330 0.613 9.254 706 HD1 TYR 96 HD1 TYR 96 27.310 1.444 7.229 707 HD2 TYR 96 HD2 TYR 96 24.239 3.742 9.202 708 HE1 TYR 96 HE1 TYR 96 27.677 3.307 5.643 709 HE2 TYR 96 HE2 TYR 96 24.655 5.617 7.669 710 HH TYR 96 HH TYR 96 25.904 6.411 5.861 711 H LEU 97 H LEU 97 23.232 1.467 6.713 712 HA LEU 97 HA LEU 97 21.239 3.137 8.046 713 1HB LEU 97 HB2 LEU 97 22.338 3.920 6.064 714 2HB LEU 97 HB3 LEU 97 21.893 2.497 5.137 715 HG LEU 97 HG LEU 97 19.574 4.007 6.283 716 1HD1 LEU 97 HD11 LEU 97 19.664 5.776 4.594 717 2HD1 LEU 97 HD12 LEU 97 21.074 5.868 5.656 718 3HD1 LEU 97 HD13 LEU 97 21.242 5.170 4.029 719 1HD2 LEU 97 HD21 LEU 97 18.652 3.601 4.021 720 2HD2 LEU 97 HD22 LEU 97 20.215 2.969 3.477 721 3HD2 LEU 97 HD23 LEU 97 19.277 2.091 4.698 722 H ILE 98 H ILE 98 21.255 0.126 6.128 723 HA ILE 98 HA ILE 98 18.444 -0.230 5.991 724 HB ILE 98 HB ILE 98 20.782 -2.180 5.848 725 1HG1 ILE 98 HG12 ILE 98 19.122 -0.770 3.710 726 2HG1 ILE 98 HG13 ILE 98 20.782 -0.380 4.159 727 1HG2 ILE 98 HG21 ILE 98 19.205 -3.753 4.727 728 2HG2 ILE 98 HG22 ILE 98 18.841 -3.480 6.422 729 3HG2 ILE 98 HG23 ILE 98 17.861 -2.681 5.178 730 1HD1 ILE 98 HD11 ILE 98 21.431 -2.733 3.481 731 2HD1 ILE 98 HD12 ILE 98 19.821 -2.845 2.711 732 3HD1 ILE 98 HD13 ILE 98 20.973 -1.613 2.183 733 H ASP 99 H ASP 99 20.853 -1.330 8.412 734 HA ASP 99 HA ASP 99 19.157 -2.881 10.012 735 1HB ASP 99 HB2 ASP 99 21.588 -2.796 10.274 736 2HB ASP 99 HB3 ASP 99 21.504 -1.113 10.801 737 H GLN 100 H GLN 100 19.310 0.628 9.743 738 HA GLN 100 HA GLN 100 17.695 1.073 12.179 739 1HB GLN 100 HB2 GLN 100 19.032 2.942 10.182 740 2HB GLN 100 HB3 GLN 100 18.084 3.489 11.569 741 1HG GLN 100 HG2 GLN 100 19.628 2.451 13.135 742 2HG GLN 100 HG3 GLN 100 20.557 1.725 11.825 743 1HE2 GLN 100 HE22 GLN 100 22.042 2.970 10.662 744 2HE2 GLN 100 HE21 GLN 100 22.443 4.631 11.093 745 H LEU 101 H LEU 101 16.878 -0.025 9.223 746 HA LEU 101 HA LEU 101 14.304 1.504 9.154 747 1HB LEU 101 HB2 LEU 101 16.126 0.697 6.850 748 2HB LEU 101 HB3 LEU 101 14.463 1.226 6.636 749 HG LEU 101 HG LEU 101 16.645 2.948 7.899 750 1HD1 LEU 101 HD11 LEU 101 16.686 4.163 5.798 751 2HD1 LEU 101 HD12 LEU 101 17.034 2.452 5.495 752 3HD1 LEU 101 HD13 LEU 101 15.428 3.107 5.121 753 1HD2 LEU 101 HD21 LEU 101 13.781 3.568 7.041 754 2HD2 LEU 101 HD22 LEU 101 14.458 3.646 8.679 755 3HD2 LEU 101 HD23 LEU 101 14.990 4.800 7.451 756 H LYS 102 H LYS 102 15.966 -1.592 8.592 757 HA LYS 102 HA LYS 102 13.755 -3.180 7.858 758 1HB LYS 102 HB2 LYS 102 16.300 -3.686 9.439 759 2HB LYS 102 HB3 LYS 102 15.072 -4.949 9.335 760 1HG LYS 102 HG2 LYS 102 15.125 -4.901 6.897 761 2HG LYS 102 HG3 LYS 102 16.354 -3.622 6.923 762 1HD LYS 102 HD2 LYS 102 17.966 -5.070 7.990 763 2HD LYS 102 HD3 LYS 102 16.765 -6.318 8.315 764 1HE LYS 102 HE2 LYS 102 17.537 -5.459 5.493 765 2HE LYS 102 HE3 LYS 102 18.373 -6.744 6.376 766 1HZ LYS 102 HZ1 LYS 102 16.291 -7.958 6.513 767 2HZ LYS 102 HZ2 LYS 102 15.484 -6.789 5.706 768 3HZ LYS 102 HZ3 LYS 102 16.647 -7.653 4.959 769 H GLU 103 H GLU 103 14.321 -1.562 10.889 770 HA GLU 103 HA GLU 103 12.812 -3.142 12.664 771 1HB GLU 103 HB2 GLU 103 13.109 -0.108 12.593 772 2HB GLU 103 HB3 GLU 103 12.562 -1.071 13.973 773 1HG GLU 103 HG2 GLU 103 14.797 -2.294 13.878 774 2HG GLU 103 HG3 GLU 103 15.328 -1.071 12.714 775 H ASP 104 H ASP 104 11.710 -1.259 9.933 776 HA ASP 104 HA ASP 104 8.880 -1.826 10.698 777 1HB ASP 104 HB2 ASP 104 9.182 0.482 11.296 778 2HB ASP 104 HB3 ASP 104 10.021 0.830 9.781 779 H ILE 105 H ILE 105 11.201 -0.934 8.045 780 HA ILE 105 HA ILE 105 9.239 -1.277 6.029 781 HB ILE 105 HB ILE 105 12.271 -1.278 5.768 782 1HG1 ILE 105 HG12 ILE 105 10.217 0.975 5.735 783 2HG1 ILE 105 HG13 ILE 105 11.555 0.772 6.856 784 1HG2 ILE 105 HG21 ILE 105 11.816 -0.633 3.401 785 2HG2 ILE 105 HG22 ILE 105 11.144 -2.199 3.771 786 3HG2 ILE 105 HG23 ILE 105 10.075 -0.778 3.699 787 1HD1 ILE 105 HD11 ILE 105 13.114 1.029 4.814 788 2HD1 ILE 105 HD12 ILE 105 11.671 1.637 3.968 789 3HD1 ILE 105 HD13 ILE 105 12.259 2.467 5.412 790 H GLY 106 H GLY 106 8.651 -2.974 4.832 791 1HA GLY 106 HA2 GLY 106 9.013 -5.584 5.991 792 2HA GLY 106 HA3 GLY 106 8.033 -5.148 4.580 793 H GLU 107 H GLU 107 10.220 -3.983 2.974 794 HA GLU 107 HA GLU 107 12.117 -6.222 2.598 795 1HB GLU 107 HB2 GLU 107 10.181 -6.730 1.201 796 2HB GLU 107 HB3 GLU 107 10.173 -5.095 0.528 797 1HG GLU 107 HG2 GLU 107 12.238 -5.467 -0.636 798 2HG GLU 107 HG3 GLU 107 12.553 -6.966 0.245 799 H VAL 108 H VAL 108 14.128 -5.360 2.315 800 HA VAL 108 HA VAL 108 14.365 -2.571 1.340 801 HB VAL 108 HB VAL 108 16.017 -3.757 3.602 802 1HG1 VAL 108 HG11 VAL 108 17.280 -2.120 2.340 803 2HG1 VAL 108 HG12 VAL 108 15.892 -1.022 2.253 804 3HG1 VAL 108 HG13 VAL 108 16.709 -1.293 3.798 805 1HG2 VAL 108 HG21 VAL 108 14.903 -2.180 5.118 806 2HG2 VAL 108 HG22 VAL 108 13.839 -1.652 3.797 807 3HG2 VAL 108 HG23 VAL 108 13.731 -3.305 4.447 808 H ILE 109 H ILE 109 15.732 -2.455 -0.343 809 HA ILE 109 HA ILE 109 17.381 -4.838 -1.081 810 HB ILE 109 HB ILE 109 15.727 -3.047 -2.894 811 1HG1 ILE 109 HG12 ILE 109 14.739 -5.843 -2.666 812 2HG1 ILE 109 HG13 ILE 109 14.432 -4.877 -1.242 813 1HG2 ILE 109 HG21 ILE 109 16.009 -4.882 -4.577 814 2HG2 ILE 109 HG22 ILE 109 17.540 -4.154 -4.102 815 3HG2 ILE 109 HG23 ILE 109 17.063 -5.733 -3.435 816 1HD1 ILE 109 HD11 ILE 109 13.751 -3.884 -4.030 817 2HD1 ILE 109 HD12 ILE 109 12.617 -4.768 -2.966 818 3HD1 ILE 109 HD13 ILE 109 13.248 -3.197 -2.465 819 H PHE 110 H PHE 110 19.301 -4.265 -2.310 820 HA PHE 110 HA PHE 110 19.772 -1.389 -2.778 821 1HB PHE 110 HB2 PHE 110 20.985 -2.435 -0.692 822 2HB PHE 110 HB3 PHE 110 22.042 -3.167 -1.897 823 HD1 PHE 110 HD1 PHE 110 21.734 -0.489 0.303 824 HD2 PHE 110 HD2 PHE 110 22.941 -1.319 -3.750 825 HE1 PHE 110 HE1 PHE 110 22.979 1.645 0.227 826 HE2 PHE 110 HE2 PHE 110 24.012 0.896 -3.883 827 HZ PHE 110 HZ PHE 110 24.063 2.383 -1.885 828 H LEU 111 H LEU 111 20.687 -1.054 -4.794 829 HA LEU 111 HA LEU 111 21.488 -3.419 -6.422 830 1HB LEU 111 HB2 LEU 111 19.365 -2.603 -7.179 831 2HB LEU 111 HB3 LEU 111 19.899 -0.927 -7.153 832 HG LEU 111 HG LEU 111 21.351 -2.910 -8.911 833 1HD1 LEU 111 HD11 LEU 111 18.964 -3.267 -9.412 834 2HD1 LEU 111 HD12 LEU 111 18.724 -1.519 -9.616 835 3HD1 LEU 111 HD13 LEU 111 19.753 -2.426 -10.744 836 1HD2 LEU 111 HD21 LEU 111 22.294 -0.619 -8.839 837 2HD2 LEU 111 HD22 LEU 111 21.554 -0.891 -10.398 838 3HD2 LEU 111 HD23 LEU 111 20.692 0.067 -9.189 839 H GLY 112 H GLY 112 23.537 -3.255 -7.175 840 1HA GLY 112 HA2 GLY 112 25.040 -0.720 -6.650 841 2HA GLY 112 HA3 GLY 112 25.717 -2.339 -6.540 842 H ILE 113 H ILE 113 26.660 -0.190 -8.188 843 HA ILE 113 HA ILE 113 26.427 -1.392 -10.902 844 HB ILE 113 HB ILE 113 26.435 1.563 -10.146 845 1HG1 ILE 113 HG12 ILE 113 24.270 0.122 -11.721 846 2HG1 ILE 113 HG13 ILE 113 24.198 0.261 -9.969 847 1HG2 ILE 113 HG21 ILE 113 26.499 0.257 -12.904 848 2HG2 ILE 113 HG22 ILE 113 26.282 2.000 -12.603 849 3HG2 ILE 113 HG23 ILE 113 27.789 1.222 -12.161 850 1HD1 ILE 113 HD11 ILE 113 24.260 2.610 -11.879 851 2HD1 ILE 113 HD12 ILE 113 22.883 2.023 -10.929 852 3HD1 ILE 113 HD13 ILE 113 24.295 2.692 -10.095 853 H GLN 114 H GLN 114 28.483 -1.963 -11.602 854 HA GLN 114 HA GLN 114 30.762 -1.553 -9.954 855 1HB GLN 114 HB2 GLN 114 30.529 -3.479 -11.399 856 2HB GLN 114 HB3 GLN 114 30.479 -2.451 -12.830 857 1HG GLN 114 HG2 GLN 114 32.655 -3.473 -12.623 858 2HG GLN 114 HG3 GLN 114 32.825 -1.748 -12.433 859 1HE2 GLN 114 HE22 GLN 114 34.316 -1.253 -10.836 860 2HE2 GLN 114 HE21 GLN 114 34.653 -2.278 -9.429 861 HA PRO 115 HA PRO 115 31.898 2.510 -11.795 862 1HB PRO 115 HB2 PRO 115 33.736 3.308 -9.982 863 2HB PRO 115 HB3 PRO 115 31.992 3.287 -9.578 864 1HG PRO 115 HG2 PRO 115 34.069 1.160 -8.945 865 2HG PRO 115 HG3 PRO 115 32.896 1.929 -7.824 866 1HD PRO 115 HD2 PRO 115 32.408 -0.461 -9.062 867 2HD PRO 115 HD3 PRO 115 31.110 0.708 -8.704 868 H ASP 116 H ASP 116 34.022 3.405 -12.542 869 HA ASP 116 HA ASP 116 36.219 1.410 -12.835 870 1HB ASP 116 HB2 ASP 116 35.008 1.704 -14.985 871 2HB ASP 116 HB3 ASP 116 35.285 3.440 -14.898 872 H ILE 117 H ILE 117 35.187 4.836 -12.407 873 HA ILE 117 HA ILE 117 37.880 5.410 -11.303 874 HB ILE 117 HB ILE 117 38.195 7.362 -12.469 875 1HG1 ILE 117 HG12 ILE 117 36.353 8.129 -14.249 876 2HG1 ILE 117 HG13 ILE 117 35.251 7.370 -13.102 877 1HG2 ILE 117 HG21 ILE 117 38.185 6.862 -14.827 878 2HG2 ILE 117 HG22 ILE 117 38.571 5.389 -13.928 879 3HG2 ILE 117 HG23 ILE 117 36.944 5.618 -14.625 880 1HD1 ILE 117 HD11 ILE 117 35.502 9.746 -12.651 881 2HD1 ILE 117 HD12 ILE 117 36.272 8.880 -11.312 882 3HD1 ILE 117 HD13 ILE 117 37.268 9.605 -12.587 883 H VAL 118 H VAL 118 37.849 6.548 -9.412 884 HA VAL 118 HA VAL 118 35.445 7.986 -8.562 885 HB VAL 118 HB VAL 118 36.701 5.698 -6.985 886 1HG1 VAL 118 HG11 VAL 118 34.498 7.609 -6.109 887 2HG1 VAL 118 HG12 VAL 118 35.033 6.171 -5.220 888 3HG1 VAL 118 HG13 VAL 118 36.139 7.524 -5.428 889 1HG2 VAL 118 HG21 VAL 118 34.394 4.735 -6.973 890 2HG2 VAL 118 HG22 VAL 118 33.867 6.028 -8.069 891 3HG2 VAL 118 HG23 VAL 118 35.075 4.831 -8.592 892 H GLY 119 H GLY 119 36.054 9.700 -7.098 893 1HA GLY 119 HA2 GLY 119 38.468 10.037 -5.751 894 2HA GLY 119 HA3 GLY 119 38.752 10.686 -7.375 895 H PHE 120 H PHE 120 38.328 12.901 -7.502 896 HA PHE 120 HA PHE 120 35.829 13.968 -6.469 897 1HB PHE 120 HB2 PHE 120 37.362 14.092 -4.467 898 2HB PHE 120 HB3 PHE 120 38.485 15.048 -5.428 899 HD1 PHE 120 HD1 PHE 120 34.920 14.968 -4.216 900 HD2 PHE 120 HD2 PHE 120 38.234 17.427 -5.488 901 HE1 PHE 120 HE1 PHE 120 33.651 17.009 -3.596 902 HE2 PHE 120 HE2 PHE 120 36.958 19.462 -4.864 903 HZ PHE 120 HZ PHE 120 34.666 19.256 -3.915 904 H TYR 121 H TYR 121 35.409 16.008 -7.434 905 HA TYR 121 HA TYR 121 35.230 17.334 -9.212 906 1HB TYR 121 HB2 TYR 121 37.501 18.116 -8.087 907 2HB TYR 121 HB3 TYR 121 38.225 17.509 -9.558 908 HD1 TYR 121 HD1 TYR 121 37.763 18.684 -11.742 909 HD2 TYR 121 HD2 TYR 121 36.130 20.091 -8.005 910 HE1 TYR 121 HE1 TYR 121 37.201 20.839 -12.810 911 HE2 TYR 121 HE2 TYR 121 35.552 22.254 -9.066 912 HH TYR 121 HH TYR 121 36.260 22.954 -12.525 913 H TYR 122 H TYR 122 35.099 14.513 -9.613 914 HA TYR 122 HA TYR 122 36.271 14.127 -12.332 915 1HB TYR 122 HB2 TYR 122 35.754 12.199 -10.044 916 2HB TYR 122 HB3 TYR 122 36.005 11.687 -11.698 917 HD1 TYR 122 HD1 TYR 122 37.568 10.402 -9.851 918 HD2 TYR 122 HD2 TYR 122 38.328 14.251 -11.650 919 HE1 TYR 122 HE1 TYR 122 39.993 10.079 -9.512 920 HE2 TYR 122 HE2 TYR 122 40.733 13.951 -11.297 921 HH TYR 122 HH TYR 122 42.419 12.554 -10.489 922 HA PRO 123 HA PRO 123 31.952 13.563 -13.436 923 1HB PRO 123 HB2 PRO 123 32.185 12.919 -16.046 924 2HB PRO 123 HB3 PRO 123 32.713 14.524 -15.451 925 1HG PRO 123 HG2 PRO 123 34.423 12.065 -15.954 926 2HG PRO 123 HG3 PRO 123 34.711 13.744 -16.517 927 1HD PRO 123 HD2 PRO 123 35.844 12.671 -14.231 928 2HD PRO 123 HD3 PRO 123 35.466 14.416 -14.411 929 H MET 124 H MET 124 30.507 11.828 -14.274 930 HA MET 124 HA MET 124 31.302 9.101 -13.535 931 1HB MET 124 HB2 MET 124 29.047 10.054 -13.091 932 2HB MET 124 HB3 MET 124 28.783 10.244 -14.832 933 1HG MET 124 HG2 MET 124 29.054 7.764 -15.092 934 2HG MET 124 HG3 MET 124 29.195 7.621 -13.344 935 1HE MET 124 HE1 MET 124 25.677 8.616 -12.061 936 2HE MET 124 HE2 MET 124 27.330 8.096 -11.646 937 3HE MET 124 HE3 MET 124 27.021 9.747 -12.242 938 H THR 125 H THR 125 31.794 7.513 -15.036 939 HA THR 125 HA THR 125 32.636 8.373 -17.701 940 HB THR 125 HB THR 125 33.509 6.063 -17.830 941 HG1 THR 125 HG1 THR 125 32.477 5.792 -15.191 942 1HG2 THR 125 HG21 THR 125 35.176 6.159 -16.070 943 2HG2 THR 125 HG22 THR 125 34.933 7.769 -16.780 944 3HG2 THR 125 HG23 THR 125 34.226 7.379 -15.194 945 H GLN 126 H GLN 126 32.009 7.130 -19.662 946 HA GLN 126 HA GLN 126 29.294 7.146 -20.109 947 1HB GLN 126 HB2 GLN 126 30.997 7.348 -21.835 948 2HB GLN 126 HB3 GLN 126 31.503 5.677 -21.588 949 1HG GLN 126 HG2 GLN 126 30.161 5.846 -23.580 950 2HG GLN 126 HG3 GLN 126 29.310 4.874 -22.392 951 1HE2 GLN 126 HE22 GLN 126 27.397 5.842 -21.302 952 2HE2 GLN 126 HE21 GLN 126 26.551 7.168 -22.077 953 HA PRO 127 HA PRO 127 28.892 2.457 -19.768 954 1HB PRO 127 HB2 PRO 127 30.441 0.987 -18.001 955 2HB PRO 127 HB3 PRO 127 30.759 1.177 -19.749 956 1HG PRO 127 HG2 PRO 127 32.002 2.677 -17.449 957 2HG PRO 127 HG3 PRO 127 32.794 2.027 -18.913 958 1HD PRO 127 HD2 PRO 127 32.130 4.636 -18.635 959 2HD PRO 127 HD3 PRO 127 32.048 3.827 -20.222 960 H ILE 128 H ILE 128 29.848 4.283 -16.824 961 HA ILE 128 HA ILE 128 27.784 2.922 -15.248 962 HB ILE 128 HB ILE 128 29.698 5.185 -14.640 963 1HG1 ILE 128 HG12 ILE 128 30.546 3.595 -12.956 964 2HG1 ILE 128 HG13 ILE 128 29.373 2.385 -13.438 965 1HG2 ILE 128 HG21 ILE 128 28.910 5.180 -12.329 966 2HG2 ILE 128 HG22 ILE 128 27.542 5.546 -13.368 967 3HG2 ILE 128 HG23 ILE 128 27.703 3.928 -12.689 968 1HD1 ILE 128 HD11 ILE 128 31.765 2.041 -14.210 969 2HD1 ILE 128 HD12 ILE 128 30.539 1.951 -15.480 970 3HD1 ILE 128 HD13 ILE 128 31.536 3.413 -15.287 971 H LYS 129 H LYS 129 28.141 6.010 -17.012 972 HA LYS 129 HA LYS 129 25.573 7.090 -16.360 973 1HB LYS 129 HB2 LYS 129 27.225 7.260 -18.917 974 2HB LYS 129 HB3 LYS 129 25.663 8.057 -18.735 975 1HG LYS 129 HG2 LYS 129 26.482 9.363 -16.838 976 2HG LYS 129 HG3 LYS 129 28.067 8.574 -16.951 977 1HD LYS 129 HD2 LYS 129 28.418 9.485 -19.196 978 2HD LYS 129 HD3 LYS 129 26.789 10.203 -19.189 979 1HE LYS 129 HE2 LYS 129 27.396 11.602 -17.250 980 2HE LYS 129 HE3 LYS 129 29.009 10.877 -17.214 981 1HZ LYS 129 HZ1 LYS 129 29.013 13.014 -18.348 982 2HZ LYS 129 HZ2 LYS 129 29.429 11.841 -19.398 983 3HZ LYS 129 HZ3 LYS 129 27.931 12.499 -19.451 984 H ASP 130 H ASP 130 26.522 4.747 -18.906 985 HA ASP 130 HA ASP 130 23.892 4.362 -19.930 986 1HB ASP 130 HB2 ASP 130 25.896 3.701 -21.166 987 2HB ASP 130 HB3 ASP 130 26.310 2.519 -19.923 988 H ALA 131 H ALA 131 25.669 2.701 -17.314 989 HA ALA 131 HA ALA 131 23.655 0.761 -16.773 990 1HB ALA 131 HB1 ALA 131 25.954 0.602 -15.914 991 2HB ALA 131 HB2 ALA 131 25.668 2.007 -14.864 992 3HB ALA 131 HB3 ALA 131 24.759 0.507 -14.602 993 H VAL 132 H VAL 132 24.177 4.064 -15.334 994 HA VAL 132 HA VAL 132 21.931 3.905 -13.595 995 HB VAL 132 HB VAL 132 23.433 6.272 -14.783 996 1HG1 VAL 132 HG11 VAL 132 22.359 7.546 -12.822 997 2HG1 VAL 132 HG12 VAL 132 21.288 7.184 -14.186 998 3HG1 VAL 132 HG13 VAL 132 21.211 6.207 -12.708 999 1HG2 VAL 132 HG21 VAL 132 24.695 4.791 -13.168 1000 2HG2 VAL 132 HG22 VAL 132 24.448 6.436 -12.580 1001 3HG2 VAL 132 HG23 VAL 132 23.441 5.112 -11.957 1002 H GLU 133 H GLU 133 22.193 5.003 -17.036 1003 HA GLU 133 HA GLU 133 19.458 5.789 -17.268 1004 1HB GLU 133 HB2 GLU 133 21.143 6.414 -18.914 1005 2HB GLU 133 HB3 GLU 133 21.458 4.729 -19.305 1006 1HG GLU 133 HG2 GLU 133 20.109 5.806 -21.032 1007 2HG GLU 133 HG3 GLU 133 19.261 4.456 -20.295 1008 H THR 134 H THR 134 21.075 2.599 -17.695 1009 HA THR 134 HA THR 134 18.757 1.195 -18.556 1010 HB THR 134 HB THR 134 21.171 0.155 -17.002 1011 HG1 THR 134 HG1 THR 134 21.804 1.185 -18.885 1012 1HG2 THR 134 HG21 THR 134 20.682 -1.991 -18.140 1013 2HG2 THR 134 HG22 THR 134 19.369 -1.513 -17.058 1014 3HG2 THR 134 HG23 THR 134 19.188 -1.292 -18.812 1015 H VAL 135 H VAL 135 20.123 1.653 -15.227 1016 HA VAL 135 HA VAL 135 18.062 0.245 -13.869 1017 HB VAL 135 HB VAL 135 19.934 2.483 -12.994 1018 1HG1 VAL 135 HG11 VAL 135 19.469 1.748 -10.657 1019 2HG1 VAL 135 HG12 VAL 135 18.049 2.468 -11.417 1020 3HG1 VAL 135 HG13 VAL 135 18.162 0.703 -11.257 1021 1HG2 VAL 135 HG21 VAL 135 20.010 -0.523 -12.455 1022 2HG2 VAL 135 HG22 VAL 135 20.989 0.294 -13.680 1023 3HG2 VAL 135 HG23 VAL 135 21.229 0.689 -11.986 1024 H TYR 136 H TYR 136 18.321 3.725 -14.813 1025 HA TYR 136 HA TYR 136 15.966 4.607 -13.561 1026 1HB TYR 136 HB2 TYR 136 17.509 6.206 -14.468 1027 2HB TYR 136 HB3 TYR 136 17.404 5.509 -16.074 1028 HD1 TYR 136 HD1 TYR 136 16.038 6.529 -17.659 1029 HD2 TYR 136 HD2 TYR 136 15.112 6.978 -13.468 1030 HE1 TYR 136 HE1 TYR 136 14.103 7.964 -18.243 1031 HE2 TYR 136 HE2 TYR 136 13.178 8.406 -14.044 1032 HH TYR 136 HH TYR 136 11.923 9.319 -15.726 1033 H GLN 137 H GLN 137 16.343 3.219 -16.913 1034 HA GLN 137 HA GLN 137 13.501 3.310 -17.371 1035 1HB GLN 137 HB2 GLN 137 15.600 1.493 -18.620 1036 2HB GLN 137 HB3 GLN 137 13.949 1.696 -19.202 1037 1HG GLN 137 HG2 GLN 137 16.110 3.838 -19.131 1038 2HG GLN 137 HG3 GLN 137 15.519 3.002 -20.553 1039 1HE2 GLN 137 HE22 GLN 137 15.606 5.831 -20.292 1040 2HE2 GLN 137 HE21 GLN 137 13.945 6.410 -20.368 1041 H ARG 138 H ARG 138 15.621 0.877 -15.897 1042 HA ARG 138 HA ARG 138 13.698 -1.201 -15.816 1043 1HB ARG 138 HB2 ARG 138 16.349 -1.130 -15.290 1044 2HB ARG 138 HB3 ARG 138 15.777 -0.979 -13.635 1045 1HG ARG 138 HG2 ARG 138 16.155 -3.278 -14.049 1046 2HG ARG 138 HG3 ARG 138 14.400 -3.108 -14.048 1047 1HD ARG 138 HD2 ARG 138 14.312 -3.276 -16.456 1048 2HD ARG 138 HD3 ARG 138 16.064 -3.006 -16.604 1049 HE ARG 138 HE ARG 138 15.707 -5.287 -15.004 1050 1HH1 ARG 138 HH11 ARG 138 15.195 -4.395 -18.413 1051 2HH1 ARG 138 HH12 ARG 138 15.480 -5.993 -18.995 1052 1HH2 ARG 138 HH21 ARG 138 16.057 -7.299 -15.720 1053 2HH2 ARG 138 HH22 ARG 138 15.989 -7.732 -17.407 1054 H LEU 139 H LEU 139 14.115 1.553 -13.633 1055 HA LEU 139 HA LEU 139 12.571 0.607 -11.465 1056 1HB LEU 139 HB2 LEU 139 12.861 3.386 -12.648 1057 2HB LEU 139 HB3 LEU 139 11.953 3.085 -11.181 1058 HG LEU 139 HG LEU 139 14.910 2.449 -11.465 1059 1HD1 LEU 139 HD11 LEU 139 13.446 4.824 -10.241 1060 2HD1 LEU 139 HD12 LEU 139 15.186 4.502 -10.083 1061 3HD1 LEU 139 HD13 LEU 139 14.482 4.847 -11.674 1062 1HD2 LEU 139 HD21 LEU 139 13.126 2.585 -8.994 1063 2HD2 LEU 139 HD22 LEU 139 13.800 1.099 -9.700 1064 3HD2 LEU 139 HD23 LEU 139 14.880 2.310 -9.013 1065 H GLU 140 H GLU 140 11.481 1.317 -14.715 1066 HA GLU 140 HA GLU 140 8.691 1.636 -13.841 1067 1HB GLU 140 HB2 GLU 140 10.090 2.842 -15.797 1068 2HB GLU 140 HB3 GLU 140 9.523 1.449 -16.725 1069 1HG GLU 140 HG2 GLU 140 7.159 2.084 -15.864 1070 2HG GLU 140 HG3 GLU 140 7.903 3.564 -15.247 1071 H GLY 141 H GLY 141 10.655 -1.012 -14.130 1072 1HA GLY 141 HA2 GLY 141 8.421 -2.822 -14.895 1073 2HA GLY 141 HA3 GLY 141 9.919 -2.850 -15.832 1074 H TRP 142 H TRP 142 11.081 -2.258 -12.807 1075 HA TRP 142 HA TRP 142 11.947 -4.810 -12.092 1076 1HB TRP 142 HB2 TRP 142 12.879 -2.689 -11.288 1077 2HB TRP 142 HB3 TRP 142 11.385 -2.321 -10.440 1078 HD1 TRP 142 HD1 TRP 142 14.739 -3.595 -9.874 1079 HE1 TRP 142 HE1 TRP 142 15.005 -4.506 -7.493 1080 HE3 TRP 142 HE3 TRP 142 9.799 -3.860 -8.492 1081 HZ2 TRP 142 HZ2 TRP 142 13.350 -5.536 -5.438 1082 HZ3 TRP 142 HZ3 TRP 142 9.187 -4.827 -6.312 1083 HH2 TRP 142 HH2 TRP 142 10.940 -5.667 -4.757 1084 H GLU 143 H GLU 143 11.168 -6.350 -10.727 1085 HA GLU 143 HA GLU 143 8.270 -6.284 -10.029 1086 1HB GLU 143 HB2 GLU 143 8.011 -8.424 -11.015 1087 2HB GLU 143 HB3 GLU 143 8.795 -7.404 -12.207 1088 1HG GLU 143 HG2 GLU 143 10.127 -9.564 -10.504 1089 2HG GLU 143 HG3 GLU 143 9.697 -9.690 -12.197 1090 H GLY 144 H GLY 144 11.486 -7.407 -9.198 1091 1HA GLY 144 HA2 GLY 144 10.937 -7.823 -6.422 1092 2HA GLY 144 HA3 GLY 144 10.928 -9.363 -7.298 1093 H ASN 145 H ASN 145 12.994 -8.384 -9.300 1094 HA ASN 145 HA ASN 145 15.376 -7.919 -7.595 1095 1HB ASN 145 HB2 ASN 145 14.739 -10.510 -8.207 1096 2HB ASN 145 HB3 ASN 145 15.670 -10.091 -9.641 1097 1HD2 ASN 145 HD22 ASN 145 17.939 -10.449 -9.407 1098 2HD2 ASN 145 HD21 ASN 145 18.709 -10.567 -7.845 1099 H GLY 146 H GLY 146 13.634 -6.960 -10.204 1100 1HA GLY 146 HA2 GLY 146 14.011 -5.633 -11.993 1101 2HA GLY 146 HA3 GLY 146 15.695 -5.418 -11.492 1102 H GLY 147 H GLY 147 14.598 -8.721 -11.828 1103 1HA GLY 147 HA2 GLY 147 15.397 -10.414 -13.127 1104 2HA GLY 147 HA3 GLY 147 15.393 -9.285 -14.490 1105 H PHE 148 H PHE 148 17.379 -8.076 -11.927 1106 HA PHE 148 HA PHE 148 19.866 -8.664 -13.329 1107 1HB PHE 148 HB2 PHE 148 19.248 -7.353 -10.660 1108 2HB PHE 148 HB3 PHE 148 20.848 -7.453 -11.378 1109 HD1 PHE 148 HD1 PHE 148 21.045 -6.539 -13.855 1110 HD2 PHE 148 HD2 PHE 148 17.975 -5.403 -11.049 1111 HE1 PHE 148 HE1 PHE 148 20.634 -4.445 -15.145 1112 HE2 PHE 148 HE2 PHE 148 17.633 -3.278 -12.280 1113 HZ PHE 148 HZ PHE 148 18.939 -2.807 -14.349 1114 H ALA 149 H ALA 149 21.657 -9.527 -11.946 1115 HA ALA 149 HA ALA 149 20.810 -12.019 -10.536 1116 1HB ALA 149 HB1 ALA 149 23.223 -12.620 -10.688 1117 2HB ALA 149 HB2 ALA 149 22.501 -12.359 -12.287 1118 3HB ALA 149 HB3 ALA 149 23.540 -11.112 -11.571 1119 H GLN 150 H GLN 150 21.494 -12.387 -8.451 1120 HA GLN 150 HA GLN 150 21.987 -9.994 -6.830 1121 1HB GLN 150 HB2 GLN 150 20.228 -11.870 -6.412 1122 2HB GLN 150 HB3 GLN 150 21.577 -12.842 -5.829 1123 1HG GLN 150 HG2 GLN 150 20.815 -10.080 -4.776 1124 2HG GLN 150 HG3 GLN 150 20.198 -11.585 -4.104 1125 1HE2 GLN 150 HE22 GLN 150 22.976 -9.448 -4.296 1126 2HE2 GLN 150 HE21 GLN 150 24.085 -10.473 -3.400 1127 H LEU 151 H LEU 151 24.037 -9.466 -6.298 1128 HA LEU 151 HA LEU 151 26.343 -10.723 -7.211 1129 1HB LEU 151 HB2 LEU 151 26.134 -8.341 -6.494 1130 2HB LEU 151 HB3 LEU 151 25.934 -8.863 -4.825 1131 HG LEU 151 HG LEU 151 28.259 -9.826 -4.877 1132 1HD1 LEU 151 HD11 LEU 151 28.498 -10.215 -7.321 1133 2HD1 LEU 151 HD12 LEU 151 28.412 -8.466 -7.607 1134 3HD1 LEU 151 HD13 LEU 151 29.780 -9.163 -6.717 1135 1HD2 LEU 151 HD21 LEU 151 27.937 -6.887 -5.611 1136 2HD2 LEU 151 HD22 LEU 151 27.866 -7.589 -3.990 1137 3HD2 LEU 151 HD23 LEU 151 29.398 -7.600 -4.877 1138 H ALA 152 H ALA 152 27.368 -12.520 -6.535 1139 HA ALA 152 HA ALA 152 27.130 -13.486 -3.734 1140 1HB ALA 152 HB1 ALA 152 26.665 -15.753 -4.586 1141 2HB ALA 152 HB2 ALA 152 25.398 -14.613 -5.074 1142 3HB ALA 152 HB3 ALA 152 26.624 -15.133 -6.253 1143 H VAL 153 H VAL 153 29.265 -12.194 -4.111 1144 HA VAL 153 HA VAL 153 31.462 -12.006 -4.503 1145 HB VAL 153 HB VAL 153 31.581 -14.942 -3.788 1146 1HG1 VAL 153 HG11 VAL 153 33.421 -12.594 -3.078 1147 2HG1 VAL 153 HG12 VAL 153 33.647 -14.282 -2.574 1148 3HG1 VAL 153 HG13 VAL 153 33.791 -13.849 -4.274 1149 1HG2 VAL 153 HG21 VAL 153 31.606 -14.221 -1.393 1150 2HG2 VAL 153 HG22 VAL 153 31.134 -12.588 -1.907 1151 3HG2 VAL 153 HG23 VAL 153 30.048 -13.973 -2.165 1152 H GLU 154 H GLU 154 30.085 -12.164 -6.813 1153 HA GLU 154 HA GLU 154 31.345 -13.939 -8.760 1154 1HB GLU 154 HB2 GLU 154 28.985 -12.987 -8.862 1155 2HB GLU 154 HB3 GLU 154 29.702 -11.392 -9.123 1156 1HG GLU 154 HG2 GLU 154 30.827 -12.326 -11.185 1157 2HG GLU 154 HG3 GLU 154 29.962 -13.842 -10.916 1158 H GLU 155 H GLU 155 32.881 -13.110 -10.379 1159 HA GLU 155 HA GLU 155 33.945 -10.407 -10.071 1160 1HB GLU 155 HB2 GLU 155 35.704 -12.901 -9.980 1161 2HB GLU 155 HB3 GLU 155 36.289 -11.275 -10.340 1162 1HG GLU 155 HG2 GLU 155 35.481 -10.501 -8.107 1163 2HG GLU 155 HG3 GLU 155 35.016 -12.163 -7.720 1164 H GLU 156 H GLU 156 34.838 -9.695 -12.124 1165 HA GLU 156 HA GLU 156 34.822 -11.525 -14.407 1166 1HB GLU 156 HB2 GLU 156 32.456 -10.825 -14.279 1167 2HB GLU 156 HB3 GLU 156 32.936 -9.123 -14.301 1168 1HG GLU 156 HG2 GLU 156 33.861 -9.361 -16.549 1169 2HG GLU 156 HG3 GLU 156 33.618 -11.109 -16.506 Start of MODEL 13 1 1H MET 1 H1 MET 1 0.254 1.870 -2.824 2 2H MET 1 H2 MET 1 -0.488 0.984 -1.652 3 3H MET 1 H3 MET 1 0.006 2.515 -1.346 4 HA MET 1 HA MET 1 1.526 0.980 -0.323 5 1HB MET 1 HB2 MET 1 1.928 -0.026 -3.178 6 2HB MET 1 HB3 MET 1 3.004 -0.376 -1.823 7 1HG MET 1 HG2 MET 1 1.121 -1.432 -0.592 8 2HG MET 1 HG3 MET 1 0.068 -1.159 -1.985 9 1HE MET 1 HE1 MET 1 0.493 -3.975 -0.535 10 2HE MET 1 HE2 MET 1 -0.607 -3.714 -1.910 11 3HE MET 1 HE3 MET 1 0.567 -5.048 -1.951 12 H THR 2 H THR 2 3.473 1.915 0.166 13 HA THR 2 HA THR 2 4.271 4.224 -1.545 14 HB THR 2 HB THR 2 4.812 3.795 1.418 15 HG1 THR 2 HG1 THR 2 2.600 4.073 1.064 16 1HG2 THR 2 HG21 THR 2 5.013 6.242 -0.404 17 2HG2 THR 2 HG22 THR 2 5.354 6.210 1.347 18 3HG2 THR 2 HG23 THR 2 6.382 5.309 0.218 19 H ASP 3 H ASP 3 5.514 3.033 -2.953 20 HA ASP 3 HA ASP 3 7.819 1.434 -1.996 21 1HB ASP 3 HB2 ASP 3 6.929 2.385 -4.752 22 2HB ASP 3 HB3 ASP 3 8.470 1.598 -4.445 23 H VAL 4 H VAL 4 9.942 2.375 -1.966 24 HA VAL 4 HA VAL 4 10.144 5.270 -2.634 25 HB VAL 4 HB VAL 4 10.985 3.948 -0.021 26 1HG1 VAL 4 HG11 VAL 4 12.611 5.709 -0.651 27 2HG1 VAL 4 HG12 VAL 4 11.273 6.860 -0.881 28 3HG1 VAL 4 HG13 VAL 4 11.636 6.201 0.727 29 1HG2 VAL 4 HG21 VAL 4 9.339 5.744 0.896 30 2HG2 VAL 4 HG22 VAL 4 8.749 5.880 -0.753 31 3HG2 VAL 4 HG23 VAL 4 8.626 4.339 0.093 32 H LEU 5 H LEU 5 12.196 5.954 -3.203 33 HA LEU 5 HA LEU 5 14.170 3.835 -3.909 34 1HB LEU 5 HB2 LEU 5 13.036 4.528 -5.937 35 2HB LEU 5 HB3 LEU 5 13.146 6.230 -5.476 36 HG LEU 5 HG LEU 5 15.647 6.114 -5.692 37 1HD1 LEU 5 HD11 LEU 5 15.999 3.691 -5.334 38 2HD1 LEU 5 HD12 LEU 5 15.101 3.331 -6.825 39 3HD1 LEU 5 HD13 LEU 5 16.648 4.202 -6.889 40 1HD2 LEU 5 HD21 LEU 5 15.635 6.056 -8.160 41 2HD2 LEU 5 HD22 LEU 5 14.019 5.307 -8.125 42 3HD2 LEU 5 HD23 LEU 5 14.258 6.957 -7.511 43 H LEU 6 H LEU 6 16.005 4.245 -2.756 44 HA LEU 6 HA LEU 6 16.561 7.024 -1.809 45 1HB LEU 6 HB2 LEU 6 16.179 5.550 0.041 46 2HB LEU 6 HB3 LEU 6 17.227 4.311 -0.663 47 HG LEU 6 HG LEU 6 19.203 5.792 -0.319 48 1HD1 LEU 6 HD11 LEU 6 18.137 7.997 -0.416 49 2HD1 LEU 6 HD12 LEU 6 17.223 7.631 1.069 50 3HD1 LEU 6 HD13 LEU 6 18.992 7.793 1.114 51 1HD2 LEU 6 HD21 LEU 6 18.639 4.130 1.360 52 2HD2 LEU 6 HD22 LEU 6 19.260 5.586 2.145 53 3HD2 LEU 6 HD23 LEU 6 17.514 5.246 2.141 54 H CYS 7 H CYS 7 17.685 7.799 -3.506 55 HA CYS 7 HA CYS 7 19.908 6.355 -4.738 56 1HB CYS 7 HB2 CYS 7 18.913 9.244 -4.702 57 2HB CYS 7 HB3 CYS 7 20.327 8.725 -5.604 58 HG CYS 7 HG CYS 7 18.355 8.842 -7.297 59 H VAL 8 H VAL 8 22.071 6.493 -4.141 60 HA VAL 8 HA VAL 8 22.883 8.358 -1.989 61 HB VAL 8 HB VAL 8 23.532 5.371 -2.071 62 1HG1 VAL 8 HG11 VAL 8 24.522 5.766 0.164 63 2HG1 VAL 8 HG12 VAL 8 25.355 6.671 -1.091 64 3HG1 VAL 8 HG13 VAL 8 24.213 7.511 -0.013 65 1HG2 VAL 8 HG21 VAL 8 21.619 6.849 -0.240 66 2HG2 VAL 8 HG22 VAL 8 21.252 5.527 -1.374 67 3HG2 VAL 8 HG23 VAL 8 22.233 5.203 0.052 68 H GLY 9 H GLY 9 25.012 9.114 -2.332 69 1HA GLY 9 HA2 GLY 9 27.196 8.246 -3.546 70 2HA GLY 9 HA3 GLY 9 26.182 8.557 -4.963 71 H ASN 10 H ASN 10 28.440 10.004 -4.813 72 HA ASN 10 HA ASN 10 27.525 12.766 -4.093 73 1HB ASN 10 HB2 ASN 10 29.411 12.056 -2.692 74 2HB ASN 10 HB3 ASN 10 30.314 11.555 -4.106 75 1HD2 ASN 10 HD22 ASN 10 30.026 14.040 -1.903 76 2HD2 ASN 10 HD21 ASN 10 30.731 15.317 -2.869 77 H SER 11 H SER 11 27.117 13.929 -5.850 78 HA SER 11 HA SER 11 27.131 12.947 -8.376 79 1HB SER 11 HB2 SER 11 27.219 15.911 -7.770 80 2HB SER 11 HB3 SER 11 26.210 15.055 -8.948 81 HG SER 11 HG SER 11 25.053 15.707 -7.060 82 H MET 12 H MET 12 29.984 14.265 -6.893 83 HA MET 12 HA MET 12 31.216 14.645 -9.576 84 1HB MET 12 HB2 MET 12 32.404 16.584 -8.818 85 2HB MET 12 HB3 MET 12 30.676 16.855 -8.615 86 1HG MET 12 HG2 MET 12 30.857 16.422 -6.203 87 2HG MET 12 HG3 MET 12 32.566 16.010 -6.378 88 1HE MET 12 HE1 MET 12 31.778 17.959 -4.162 89 2HE MET 12 HE2 MET 12 33.470 17.601 -4.584 90 3HE MET 12 HE3 MET 12 32.939 19.286 -4.391 91 H MET 13 H MET 13 31.161 12.467 -7.276 92 HA MET 13 HA MET 13 34.072 12.400 -6.791 93 1HB MET 13 HB2 MET 13 32.481 12.311 -4.889 94 2HB MET 13 HB3 MET 13 31.926 10.743 -5.474 95 1HG MET 13 HG2 MET 13 34.268 9.886 -5.202 96 2HG MET 13 HG3 MET 13 34.746 11.482 -4.613 97 1HE MET 13 HE1 MET 13 35.322 8.789 -3.135 98 2HE MET 13 HE2 MET 13 35.799 10.404 -2.560 99 3HE MET 13 HE3 MET 13 34.983 9.271 -1.452 100 H GLY 14 H GLY 14 32.964 11.914 -9.474 101 1HA GLY 14 HA2 GLY 14 33.633 10.531 -11.174 102 2HA GLY 14 HA3 GLY 14 34.234 9.350 -10.002 103 H ASP 15 H ASP 15 33.243 7.563 -10.753 104 HA ASP 15 HA ASP 15 30.566 7.306 -11.694 105 1HB ASP 15 HB2 ASP 15 32.517 5.298 -10.524 106 2HB ASP 15 HB3 ASP 15 30.970 4.856 -11.216 107 H ASP 16 H ASP 16 31.787 7.655 -8.500 108 HA ASP 16 HA ASP 16 29.903 6.302 -6.907 109 1HB ASP 16 HB2 ASP 16 32.036 7.403 -6.194 110 2HB ASP 16 HB3 ASP 16 31.252 8.967 -6.435 111 H GLY 17 H GLY 17 29.448 9.141 -8.937 112 1HA GLY 17 HA2 GLY 17 27.201 10.268 -7.537 113 2HA GLY 17 HA3 GLY 17 27.689 10.585 -9.207 114 H ALA 18 H ALA 18 26.943 7.243 -8.190 115 HA ALA 18 HA ALA 18 25.309 6.905 -10.499 116 1HB ALA 18 HB1 ALA 18 24.849 4.669 -9.508 117 2HB ALA 18 HB2 ALA 18 26.580 5.066 -9.549 118 3HB ALA 18 HB3 ALA 18 25.673 5.185 -8.024 119 H GLY 19 H GLY 19 24.430 6.984 -6.996 120 1HA GLY 19 HA2 GLY 19 21.621 6.885 -7.357 121 2HA GLY 19 HA3 GLY 19 22.476 7.554 -5.962 122 HA PRO 20 HA PRO 20 21.751 11.752 -7.076 123 1HB PRO 20 HB2 PRO 20 24.511 12.092 -8.283 124 2HB PRO 20 HB3 PRO 20 23.576 13.235 -7.262 125 1HG PRO 20 HG2 PRO 20 25.472 11.639 -6.146 126 2HG PRO 20 HG3 PRO 20 23.910 11.887 -5.311 127 1HD PRO 20 HD2 PRO 20 24.844 9.501 -6.866 128 2HD PRO 20 HD3 PRO 20 23.776 9.588 -5.441 129 H LEU 21 H LEU 21 23.428 10.140 -9.929 130 HA LEU 21 HA LEU 21 22.087 11.889 -11.792 131 1HB LEU 21 HB2 LEU 21 24.183 10.769 -12.351 132 2HB LEU 21 HB3 LEU 21 23.442 9.191 -12.118 133 HG LEU 21 HG LEU 21 21.909 9.623 -14.051 134 1HD1 LEU 21 HD11 LEU 21 23.484 12.225 -14.292 135 2HD1 LEU 21 HD12 LEU 21 22.429 11.568 -15.560 136 3HD1 LEU 21 HD13 LEU 21 21.737 12.059 -14.013 137 1HD2 LEU 21 HD21 LEU 21 24.056 8.480 -14.395 138 2HD2 LEU 21 HD22 LEU 21 23.603 9.439 -15.812 139 3HD2 LEU 21 HD23 LEU 21 24.849 10.039 -14.694 140 H LEU 22 H LEU 22 21.363 8.659 -10.386 141 HA LEU 22 HA LEU 22 19.063 8.133 -11.988 142 1HB LEU 22 HB2 LEU 22 20.188 6.406 -10.618 143 2HB LEU 22 HB3 LEU 22 19.757 7.259 -9.148 144 HG LEU 22 HG LEU 22 17.378 6.900 -9.558 145 1HD1 LEU 22 HD11 LEU 22 16.687 5.278 -11.375 146 2HD1 LEU 22 HD12 LEU 22 17.230 6.832 -11.987 147 3HD1 LEU 22 HD13 LEU 22 18.316 5.419 -12.068 148 1HD2 LEU 22 HD21 LEU 22 17.353 4.453 -9.207 149 2HD2 LEU 22 HD22 LEU 22 19.020 4.346 -9.807 150 3HD2 LEU 22 HD23 LEU 22 18.667 5.217 -8.297 151 H ALA 23 H ALA 23 19.441 9.737 -8.808 152 HA ALA 23 HA ALA 23 16.715 10.347 -8.329 153 1HB ALA 23 HB1 ALA 23 17.586 12.123 -6.827 154 2HB ALA 23 HB2 ALA 23 18.465 10.615 -6.575 155 3HB ALA 23 HB3 ALA 23 19.209 11.926 -7.511 156 H GLU 24 H GLU 24 19.200 12.200 -10.182 157 HA GLU 24 HA GLU 24 17.551 14.467 -10.679 158 1HB GLU 24 HB2 GLU 24 19.909 14.612 -11.037 159 2HB GLU 24 HB3 GLU 24 19.914 13.254 -12.166 160 1HG GLU 24 HG2 GLU 24 18.701 14.502 -13.833 161 2HG GLU 24 HG3 GLU 24 18.416 15.840 -12.711 162 H LYS 25 H LYS 25 18.086 11.487 -12.570 163 HA LYS 25 HA LYS 25 16.332 12.167 -14.720 164 1HB LYS 25 HB2 LYS 25 17.377 9.553 -13.582 165 2HB LYS 25 HB3 LYS 25 16.320 9.601 -15.007 166 1HG LYS 25 HG2 LYS 25 17.918 10.899 -16.261 167 2HG LYS 25 HG3 LYS 25 18.975 11.079 -14.849 168 1HD LYS 25 HD2 LYS 25 19.350 8.654 -14.766 169 2HD LYS 25 HD3 LYS 25 18.274 8.397 -16.144 170 1HE LYS 25 HE2 LYS 25 20.785 10.129 -16.251 171 2HE LYS 25 HE3 LYS 25 20.780 8.404 -16.641 172 1HZ LYS 25 HZ1 LYS 25 20.549 9.774 -18.622 173 2HZ LYS 25 HZ2 LYS 25 19.247 8.808 -18.425 174 3HZ LYS 25 HZ3 LYS 25 19.150 10.417 -18.079 175 H CYS 26 H CYS 26 15.674 10.144 -11.772 176 HA CYS 26 HA CYS 26 12.935 9.746 -12.412 177 1HB CYS 26 HB2 CYS 26 14.340 9.751 -9.705 178 2HB CYS 26 HB3 CYS 26 12.694 9.156 -10.015 179 HG CYS 26 HG CYS 26 14.335 7.128 -9.780 180 H ALA 27 H ALA 27 14.525 12.415 -10.541 181 HA ALA 27 HA ALA 27 12.101 13.648 -9.755 182 1HB ALA 27 HB1 ALA 27 14.826 14.904 -10.297 183 2HB ALA 27 HB2 ALA 27 13.484 15.670 -9.425 184 3HB ALA 27 HB3 ALA 27 14.262 14.228 -8.749 185 H ALA 28 H ALA 28 14.093 14.006 -12.736 186 HA ALA 28 HA ALA 28 12.579 16.137 -13.846 187 1HB ALA 28 HB1 ALA 28 14.883 15.591 -14.541 188 2HB ALA 28 HB2 ALA 28 14.319 14.046 -15.222 189 3HB ALA 28 HB3 ALA 28 13.775 15.581 -15.926 190 H ALA 29 H ALA 29 12.204 12.622 -13.944 191 HA ALA 29 HA ALA 29 9.572 12.793 -15.261 192 1HB ALA 29 HB1 ALA 29 12.010 11.400 -16.418 193 2HB ALA 29 HB2 ALA 29 10.337 11.079 -16.938 194 3HB ALA 29 HB3 ALA 29 11.052 12.690 -17.170 195 HA PRO 30 HA PRO 30 9.741 9.912 -11.689 196 1HB PRO 30 HB2 PRO 30 6.782 10.052 -12.286 197 2HB PRO 30 HB3 PRO 30 7.610 10.001 -10.694 198 1HG PRO 30 HG2 PRO 30 6.719 12.360 -11.672 199 2HG PRO 30 HG3 PRO 30 8.348 12.264 -10.924 200 1HD PRO 30 HD2 PRO 30 7.626 12.269 -13.862 201 2HD PRO 30 HD3 PRO 30 8.950 13.129 -13.014 202 H LYS 31 H LYS 31 9.070 7.689 -11.323 203 HA LYS 31 HA LYS 31 8.346 6.075 -13.711 204 1HB LYS 31 HB2 LYS 31 10.728 5.690 -11.821 205 2HB LYS 31 HB3 LYS 31 10.119 4.420 -12.859 206 1HG LYS 31 HG2 LYS 31 11.083 7.101 -13.975 207 2HG LYS 31 HG3 LYS 31 12.155 5.732 -13.702 208 1HD LYS 31 HD2 LYS 31 10.817 4.318 -15.174 209 2HD LYS 31 HD3 LYS 31 9.673 5.651 -15.471 210 1HE LYS 31 HE2 LYS 31 11.566 6.972 -16.460 211 2HE LYS 31 HE3 LYS 31 12.623 5.576 -16.221 212 1HZ LYS 31 HZ1 LYS 31 11.838 5.469 -18.449 213 2HZ LYS 31 HZ2 LYS 31 10.998 4.325 -17.669 214 3HZ LYS 31 HZ3 LYS 31 10.279 5.752 -18.026 215 H GLY 32 H GLY 32 7.372 4.081 -13.125 216 1HA GLY 32 HA2 GLY 32 5.880 2.822 -11.920 217 2HA GLY 32 HA3 GLY 32 7.191 2.762 -10.741 218 H ASN 33 H ASN 33 6.550 3.285 -8.761 219 HA ASN 33 HA ASN 33 4.753 5.592 -8.263 220 1HB ASN 33 HB2 ASN 33 3.473 4.373 -6.659 221 2HB ASN 33 HB3 ASN 33 3.454 3.409 -8.129 222 1HD2 ASN 33 HD22 ASN 33 3.445 2.862 -4.906 223 2HD2 ASN 33 HD21 ASN 33 4.555 1.499 -4.835 224 H TRP 34 H TRP 34 7.809 4.895 -8.024 225 HA TRP 34 HA TRP 34 8.320 4.591 -5.220 226 1HB TRP 34 HB2 TRP 34 10.359 5.648 -7.182 227 2HB TRP 34 HB3 TRP 34 10.597 4.657 -5.756 228 HD1 TRP 34 HD1 TRP 34 9.503 4.510 -9.390 229 HE1 TRP 34 HE1 TRP 34 9.628 2.127 -10.305 230 HE3 TRP 34 HE3 TRP 34 10.913 2.088 -5.097 231 HZ2 TRP 34 HZ2 TRP 34 10.409 -0.423 -9.367 232 HZ3 TRP 34 HZ3 TRP 34 11.411 -0.338 -5.164 233 HH2 TRP 34 HH2 TRP 34 11.162 -1.622 -7.281 234 H VAL 35 H VAL 35 8.384 6.195 -3.693 235 HA VAL 35 HA VAL 35 8.365 9.031 -4.435 236 HB VAL 35 HB VAL 35 8.985 7.799 -1.717 237 1HG1 VAL 35 HG11 VAL 35 9.629 10.160 -1.909 238 2HG1 VAL 35 HG12 VAL 35 8.016 10.573 -2.534 239 3HG1 VAL 35 HG13 VAL 35 8.212 10.003 -0.865 240 1HG2 VAL 35 HG21 VAL 35 6.280 8.654 -2.847 241 2HG2 VAL 35 HG22 VAL 35 6.754 7.002 -2.395 242 3HG2 VAL 35 HG23 VAL 35 6.598 8.239 -1.148 243 H VAL 36 H VAL 36 10.226 10.058 -5.120 244 HA VAL 36 HA VAL 36 12.774 8.648 -5.027 245 HB VAL 36 HB VAL 36 12.170 11.497 -5.941 246 1HG1 VAL 36 HG11 VAL 36 14.212 11.211 -7.323 247 2HG1 VAL 36 HG12 VAL 36 14.584 11.058 -5.605 248 3HG1 VAL 36 HG13 VAL 36 14.474 9.601 -6.616 249 1HG2 VAL 36 HG21 VAL 36 10.769 9.935 -7.248 250 2HG2 VAL 36 HG22 VAL 36 12.074 10.576 -8.234 251 3HG2 VAL 36 HG23 VAL 36 12.187 8.921 -7.580 252 H ILE 37 H ILE 37 14.344 8.907 -3.523 253 HA ILE 37 HA ILE 37 14.444 11.310 -1.802 254 HB ILE 37 HB ILE 37 14.821 8.399 -0.950 255 1HG1 ILE 37 HG12 ILE 37 12.426 9.087 -1.040 256 2HG1 ILE 37 HG13 ILE 37 13.001 8.597 0.541 257 1HG2 ILE 37 HG21 ILE 37 16.492 9.737 0.189 258 2HG2 ILE 37 HG22 ILE 37 15.287 10.947 0.642 259 3HG2 ILE 37 HG23 ILE 37 15.229 9.317 1.342 260 1HD1 ILE 37 HD11 ILE 37 12.656 11.510 -0.285 261 2HD1 ILE 37 HD12 ILE 37 11.460 10.551 0.605 262 3HD1 ILE 37 HD13 ILE 37 13.022 10.888 1.347 263 H ASP 38 H ASP 38 16.620 11.863 -1.369 264 HA ASP 38 HA ASP 38 18.769 10.382 -2.794 265 1HB ASP 38 HB2 ASP 38 18.261 12.086 -4.378 266 2HB ASP 38 HB3 ASP 38 18.134 13.322 -3.119 267 H GLY 39 H GLY 39 20.092 9.829 -1.233 268 1HA GLY 39 HA2 GLY 39 20.163 11.049 1.376 269 2HA GLY 39 HA3 GLY 39 21.206 9.767 0.729 270 H GLY 40 H GLY 40 21.822 11.815 -1.632 271 1HA GLY 40 HA2 GLY 40 23.408 13.352 -2.105 272 2HA GLY 40 HA3 GLY 40 22.841 14.155 -0.622 273 H SER 41 H SER 41 24.590 11.085 -0.939 274 HA SER 41 HA SER 41 26.341 10.189 0.018 275 1HB SER 41 HB2 SER 41 28.497 11.379 0.036 276 2HB SER 41 HB3 SER 41 27.624 11.421 -1.485 277 HG SER 41 HG SER 41 26.851 13.565 -0.287 278 H ALA 42 H ALA 42 24.359 11.782 1.804 279 HA ALA 42 HA ALA 42 25.708 10.964 4.294 280 1HB ALA 42 HB1 ALA 42 26.101 13.396 4.168 281 2HB ALA 42 HB2 ALA 42 24.361 13.676 3.909 282 3HB ALA 42 HB3 ALA 42 24.940 13.009 5.451 283 HA PRO 43 HA PRO 43 21.267 9.849 3.163 284 1HB PRO 43 HB2 PRO 43 21.351 7.114 3.182 285 2HB PRO 43 HB3 PRO 43 21.922 8.064 1.793 286 1HG PRO 43 HG2 PRO 43 23.614 6.964 4.062 287 2HG PRO 43 HG3 PRO 43 23.872 6.761 2.303 288 1HD PRO 43 HD2 PRO 43 25.159 8.723 3.658 289 2HD PRO 43 HD3 PRO 43 24.476 9.051 2.039 290 H GLU 44 H GLU 44 23.373 8.642 5.769 291 HA GLU 44 HA GLU 44 21.379 7.474 7.401 292 1HB GLU 44 HB2 GLU 44 22.980 7.422 9.118 293 2HB GLU 44 HB3 GLU 44 23.798 7.089 7.595 294 1HG GLU 44 HG2 GLU 44 23.874 9.650 9.218 295 2HG GLU 44 HG3 GLU 44 25.187 8.496 9.000 296 H ASN 45 H ASN 45 22.490 10.836 7.144 297 HA ASN 45 HA ASN 45 21.008 11.859 9.334 298 1HB ASN 45 HB2 ASN 45 22.335 13.022 6.898 299 2HB ASN 45 HB3 ASN 45 21.114 14.008 7.677 300 1HD2 ASN 45 HD22 ASN 45 24.220 12.320 8.269 301 2HD2 ASN 45 HD21 ASN 45 24.650 13.301 9.663 302 H ASP 46 H ASP 46 19.783 10.553 6.388 303 HA ASP 46 HA ASP 46 17.332 12.223 6.531 304 1HB ASP 46 HB2 ASP 46 18.896 12.152 4.453 305 2HB ASP 46 HB3 ASP 46 18.204 10.550 4.172 306 H ILE 47 H ILE 47 18.396 9.204 7.503 307 HA ILE 47 HA ILE 47 16.343 7.405 6.898 308 HB ILE 47 HB ILE 47 17.978 7.870 9.415 309 1HG1 ILE 47 HG12 ILE 47 18.159 5.719 7.250 310 2HG1 ILE 47 HG13 ILE 47 19.128 7.186 7.267 311 1HG2 ILE 47 HG21 ILE 47 15.921 6.659 10.102 312 2HG2 ILE 47 HG22 ILE 47 16.230 5.440 8.849 313 3HG2 ILE 47 HG23 ILE 47 17.336 5.634 10.224 314 1HD1 ILE 47 HD11 ILE 47 20.049 6.497 9.519 315 2HD1 ILE 47 HD12 ILE 47 19.250 4.920 9.285 316 3HD1 ILE 47 HD13 ILE 47 20.501 5.456 8.159 317 H VAL 48 H VAL 48 16.266 10.161 9.175 318 HA VAL 48 HA VAL 48 13.835 9.588 10.469 319 HB VAL 48 HB VAL 48 15.008 12.295 9.693 320 1HG1 VAL 48 HG11 VAL 48 13.801 13.155 11.685 321 2HG1 VAL 48 HG12 VAL 48 12.682 12.529 10.469 322 3HG1 VAL 48 HG13 VAL 48 13.046 11.560 11.914 323 1HG2 VAL 48 HG21 VAL 48 15.452 10.587 12.186 324 2HG2 VAL 48 HG22 VAL 48 16.671 10.996 10.958 325 3HG2 VAL 48 HG23 VAL 48 16.006 12.263 11.983 326 H ALA 49 H ALA 49 14.424 11.060 7.236 327 HA ALA 49 HA ALA 49 11.696 11.875 6.851 328 1HB ALA 49 HB1 ALA 49 13.607 12.896 5.619 329 2HB ALA 49 HB2 ALA 49 13.894 11.344 4.800 330 3HB ALA 49 HB3 ALA 49 12.385 12.227 4.514 331 H ILE 50 H ILE 50 13.642 9.025 5.982 332 HA ILE 50 HA ILE 50 11.624 7.684 4.464 333 HB ILE 50 HB ILE 50 13.904 6.440 6.065 334 1HG1 ILE 50 HG12 ILE 50 13.926 7.415 3.163 335 2HG1 ILE 50 HG13 ILE 50 14.714 8.249 4.498 336 1HG2 ILE 50 HG21 ILE 50 12.412 5.454 3.589 337 2HG2 ILE 50 HG22 ILE 50 13.713 4.595 4.435 338 3HG2 ILE 50 HG23 ILE 50 12.172 4.839 5.241 339 1HD1 ILE 50 HD11 ILE 50 15.490 5.525 3.433 340 2HD1 ILE 50 HD12 ILE 50 16.383 7.052 3.325 341 3HD1 ILE 50 HD13 ILE 50 16.169 6.281 4.900 342 H ARG 51 H ARG 51 12.406 7.730 7.966 343 HA ARG 51 HA ARG 51 10.391 5.833 8.718 344 1HB ARG 51 HB2 ARG 51 11.874 7.988 10.276 345 2HB ARG 51 HB3 ARG 51 10.681 6.917 11.015 346 1HG ARG 51 HG2 ARG 51 11.967 4.935 10.362 347 2HG ARG 51 HG3 ARG 51 13.182 5.950 9.563 348 1HD ARG 51 HD2 ARG 51 13.787 6.995 11.676 349 2HD ARG 51 HD3 ARG 51 12.474 6.141 12.514 350 HE ARG 51 HE ARG 51 14.137 4.212 11.265 351 1HH1 ARG 51 HH22 ARG 51 14.301 6.533 13.954 352 2HH1 ARG 51 HH21 ARG 51 15.354 5.558 14.908 353 1HH2 ARG 51 HH11 ARG 51 15.482 2.918 12.519 354 2HH2 ARG 51 HH12 ARG 51 16.046 3.440 14.079 355 H GLU 52 H GLU 52 10.048 9.237 7.777 356 HA GLU 52 HA GLU 52 7.398 9.440 8.991 357 1HB GLU 52 HB2 GLU 52 8.611 10.996 6.660 358 2HB GLU 52 HB3 GLU 52 7.054 11.318 7.389 359 1HG GLU 52 HG2 GLU 52 9.714 11.523 8.844 360 2HG GLU 52 HG3 GLU 52 8.827 12.859 8.134 361 H LEU 53 H LEU 53 8.755 8.538 5.767 362 HA LEU 53 HA LEU 53 6.212 8.157 4.547 363 1HB LEU 53 HB2 LEU 53 8.893 6.931 3.782 364 2HB LEU 53 HB3 LEU 53 7.453 6.994 2.773 365 HG LEU 53 HG LEU 53 9.170 9.335 3.674 366 1HD1 LEU 53 HD11 LEU 53 9.525 9.606 1.249 367 2HD1 LEU 53 HD12 LEU 53 10.072 8.023 1.821 368 3HD1 LEU 53 HD13 LEU 53 8.533 8.168 0.936 369 1HD2 LEU 53 HD21 LEU 53 6.894 10.168 3.728 370 2HD2 LEU 53 HD22 LEU 53 7.687 10.775 2.280 371 3HD2 LEU 53 HD23 LEU 53 6.536 9.424 2.146 372 H ARG 54 H ARG 54 8.189 6.017 6.492 373 HA ARG 54 HA ARG 54 8.177 3.793 6.934 374 1HB ARG 54 HB2 ARG 54 5.180 4.241 7.161 375 2HB ARG 54 HB3 ARG 54 6.062 2.820 7.737 376 1HG ARG 54 HG2 ARG 54 7.425 4.326 9.236 377 2HG ARG 54 HG3 ARG 54 6.412 5.681 8.703 378 1HD ARG 54 HD2 ARG 54 5.583 4.906 10.821 379 2HD ARG 54 HD3 ARG 54 4.402 4.519 9.559 380 HE ARG 54 HE ARG 54 6.277 2.343 10.097 381 1HH1 ARG 54 HH21 ARG 54 3.226 3.833 11.188 382 2HH1 ARG 54 HH22 ARG 54 2.633 2.402 11.944 383 1HH2 ARG 54 HH11 ARG 54 5.523 0.471 11.154 384 2HH2 ARG 54 HH12 ARG 54 3.957 0.436 11.908 385 HA PRO 55 HA PRO 55 7.269 3.141 2.397 386 1HB PRO 55 HB2 PRO 55 9.797 1.525 2.715 387 2HB PRO 55 HB3 PRO 55 9.297 2.565 1.360 388 1HG PRO 55 HG2 PRO 55 11.112 3.423 3.204 389 2HG PRO 55 HG3 PRO 55 9.882 4.536 2.567 390 1HD PRO 55 HD2 PRO 55 9.925 3.193 5.231 391 2HD PRO 55 HD3 PRO 55 9.329 4.791 4.740 392 H THR 56 H THR 56 6.182 1.423 1.464 393 HA THR 56 HA THR 56 5.663 -1.026 2.928 394 HB THR 56 HB THR 56 5.304 -0.476 -0.048 395 HG1 THR 56 HG1 THR 56 3.637 0.287 2.114 396 1HG2 THR 56 HG21 THR 56 4.845 -2.798 0.640 397 2HG2 THR 56 HG22 THR 56 3.721 -2.220 1.889 398 3HG2 THR 56 HG23 THR 56 3.356 -1.972 0.167 399 H ARG 57 H ARG 57 7.840 0.078 0.343 400 HA ARG 57 HA ARG 57 9.665 -2.188 0.735 401 1HB ARG 57 HB2 ARG 57 8.378 -1.427 -1.926 402 2HB ARG 57 HB3 ARG 57 9.846 -2.397 -1.799 403 1HG ARG 57 HG2 ARG 57 8.666 -4.179 -0.640 404 2HG ARG 57 HG3 ARG 57 7.169 -3.243 -0.602 405 1HD ARG 57 HD2 ARG 57 8.575 -4.024 -3.183 406 2HD ARG 57 HD3 ARG 57 7.308 -4.994 -2.437 407 HE ARG 57 HE ARG 57 7.047 -2.286 -3.662 408 1HH1 ARG 57 HH21 ARG 57 5.375 -5.087 -2.204 409 2HH1 ARG 57 HH22 ARG 57 3.796 -4.475 -2.539 410 1HH2 ARG 57 HH12 ARG 57 4.976 -1.444 -3.975 411 2HH2 ARG 57 HH11 ARG 57 3.564 -2.416 -3.659 412 H LEU 58 H LEU 58 11.785 -1.562 0.104 413 HA LEU 58 HA LEU 58 12.142 1.256 -0.821 414 1HB LEU 58 HB2 LEU 58 12.352 1.303 1.582 415 2HB LEU 58 HB3 LEU 58 13.404 -0.119 1.576 416 HG LEU 58 HG LEU 58 15.175 1.171 0.446 417 1HD1 LEU 58 HD11 LEU 58 15.012 3.640 0.312 418 2HD1 LEU 58 HD12 LEU 58 13.877 2.869 -0.778 419 3HD1 LEU 58 HD13 LEU 58 13.298 3.558 0.757 420 1HD2 LEU 58 HD21 LEU 58 14.137 2.579 2.938 421 2HD2 LEU 58 HD22 LEU 58 15.070 1.069 2.933 422 3HD2 LEU 58 HD23 LEU 58 15.811 2.564 2.346 423 H LEU 59 H LEU 59 13.765 1.484 -2.267 424 HA LEU 59 HA LEU 59 15.600 -0.796 -2.806 425 1HB LEU 59 HB2 LEU 59 13.976 -0.819 -4.600 426 2HB LEU 59 HB3 LEU 59 14.034 0.943 -4.747 427 HG LEU 59 HG LEU 59 16.358 0.827 -5.584 428 1HD1 LEU 59 HD11 LEU 59 15.997 -2.203 -5.505 429 2HD1 LEU 59 HD12 LEU 59 17.350 -1.328 -6.254 430 3HD1 LEU 59 HD13 LEU 59 17.140 -1.277 -4.509 431 1HD2 LEU 59 HD21 LEU 59 14.421 0.790 -7.122 432 2HD2 LEU 59 HD22 LEU 59 15.820 -0.075 -7.781 433 3HD2 LEU 59 HD23 LEU 59 14.447 -0.982 -7.111 434 H ILE 60 H ILE 60 17.682 -0.112 -2.718 435 HA ILE 60 HA ILE 60 18.218 2.797 -2.573 436 HB ILE 60 HB ILE 60 19.615 0.449 -1.262 437 1HG1 ILE 60 HG12 ILE 60 17.737 2.370 0.162 438 2HG1 ILE 60 HG13 ILE 60 17.268 0.767 -0.381 439 1HG2 ILE 60 HG21 ILE 60 20.777 2.167 0.107 440 2HG2 ILE 60 HG22 ILE 60 21.042 2.504 -1.596 441 3HG2 ILE 60 HG23 ILE 60 19.848 3.448 -0.696 442 1HD1 ILE 60 HD11 ILE 60 18.969 -0.285 0.973 443 2HD1 ILE 60 HD12 ILE 60 19.441 1.302 1.647 444 3HD1 ILE 60 HD13 ILE 60 17.814 0.668 1.931 445 H VAL 61 H VAL 61 20.056 3.564 -3.794 446 HA VAL 61 HA VAL 61 21.423 1.555 -5.519 447 HB VAL 61 HB VAL 61 20.041 4.053 -6.578 448 1HG1 VAL 61 HG11 VAL 61 20.616 3.004 -8.818 449 2HG1 VAL 61 HG12 VAL 61 22.011 3.554 -7.897 450 3HG1 VAL 61 HG13 VAL 61 21.614 1.826 -7.941 451 1HG2 VAL 61 HG21 VAL 61 18.304 2.429 -6.071 452 2HG2 VAL 61 HG22 VAL 61 18.547 2.471 -7.815 453 3HG2 VAL 61 HG23 VAL 61 19.224 1.134 -6.864 454 H ASP 62 H ASP 62 23.515 1.958 -5.852 455 HA ASP 62 HA ASP 62 24.707 4.566 -5.987 456 1HB ASP 62 HB2 ASP 62 24.600 4.216 -3.527 457 2HB ASP 62 HB3 ASP 62 25.552 2.744 -3.708 458 H ALA 63 H ALA 63 27.225 4.058 -6.330 459 HA ALA 63 HA ALA 63 27.572 1.743 -8.115 460 1HB ALA 63 HB1 ALA 63 29.881 2.598 -8.314 461 2HB ALA 63 HB2 ALA 63 28.704 3.882 -8.641 462 3HB ALA 63 HB3 ALA 63 29.549 3.826 -7.074 463 H THR 64 H THR 64 29.205 0.054 -7.584 464 HA THR 64 HA THR 64 30.224 -0.120 -4.859 465 HB THR 64 HB THR 64 28.450 -2.406 -5.804 466 HG1 THR 64 HG1 THR 64 27.692 -0.045 -4.538 467 1HG2 THR 64 HG21 THR 64 30.023 -2.920 -4.015 468 2HG2 THR 64 HG22 THR 64 29.479 -1.509 -3.074 469 3HG2 THR 64 HG23 THR 64 28.383 -2.876 -3.349 470 H ASP 65 H ASP 65 32.177 -1.326 -4.943 471 HA ASP 65 HA ASP 65 32.990 -2.216 -7.627 472 1HB ASP 65 HB2 ASP 65 34.628 -1.001 -6.278 473 2HB ASP 65 HB3 ASP 65 34.520 -2.228 -5.005 474 H MET 66 H MET 66 32.665 -4.181 -8.321 475 HA MET 66 HA MET 66 32.144 -6.427 -6.433 476 1HB MET 66 HB2 MET 66 30.916 -5.687 -9.140 477 2HB MET 66 HB3 MET 66 30.636 -7.222 -8.310 478 1HG MET 66 HG2 MET 66 29.718 -6.075 -6.364 479 2HG MET 66 HG3 MET 66 30.015 -4.501 -7.085 480 1HE MET 66 HE1 MET 66 27.400 -4.073 -9.818 481 2HE MET 66 HE2 MET 66 28.508 -3.271 -8.678 482 3HE MET 66 HE3 MET 66 29.151 -4.389 -9.893 483 H GLY 67 H GLY 67 34.511 -5.229 -8.451 484 1HA GLY 67 HA2 GLY 67 36.238 -6.140 -9.616 485 2HA GLY 67 HA3 GLY 67 35.841 -7.727 -8.932 486 H LEU 68 H LEU 68 33.340 -6.001 -10.665 487 HA LEU 68 HA LEU 68 33.298 -8.036 -12.817 488 1HB LEU 68 HB2 LEU 68 31.340 -5.913 -11.837 489 2HB LEU 68 HB3 LEU 68 31.057 -6.864 -13.284 490 HG LEU 68 HG LEU 68 31.414 -8.070 -10.529 491 1HD1 LEU 68 HD11 LEU 68 28.856 -7.718 -12.143 492 2HD1 LEU 68 HD12 LEU 68 29.012 -8.431 -10.527 493 3HD1 LEU 68 HD13 LEU 68 29.319 -6.706 -10.762 494 1HD2 LEU 68 HD21 LEU 68 30.385 -10.090 -11.672 495 2HD2 LEU 68 HD22 LEU 68 30.616 -9.270 -13.222 496 3HD2 LEU 68 HD23 LEU 68 32.018 -9.710 -12.215 497 H ASN 69 H ASN 69 32.234 -6.764 -14.844 498 HA ASN 69 HA ASN 69 34.357 -5.032 -15.935 499 1HB ASN 69 HB2 ASN 69 33.279 -6.809 -17.322 500 2HB ASN 69 HB3 ASN 69 31.720 -6.003 -17.130 501 1HD2 ASN 69 HD22 ASN 69 35.044 -5.573 -18.465 502 2HD2 ASN 69 HD21 ASN 69 34.575 -4.402 -19.664 503 HA PRO 70 HA PRO 70 32.416 -1.216 -14.564 504 1HB PRO 70 HB2 PRO 70 33.023 -0.338 -17.400 505 2HB PRO 70 HB3 PRO 70 33.160 0.601 -15.879 506 1HG PRO 70 HG2 PRO 70 35.363 -0.555 -16.916 507 2HG PRO 70 HG3 PRO 70 35.037 -0.736 -15.161 508 1HD PRO 70 HD2 PRO 70 34.525 -2.726 -17.372 509 2HD PRO 70 HD3 PRO 70 35.184 -3.003 -15.731 510 H GLY 71 H GLY 71 30.343 -0.530 -14.415 511 1HA GLY 71 HA2 GLY 71 28.214 0.034 -15.049 512 2HA GLY 71 HA3 GLY 71 28.578 -0.393 -16.725 513 H GLU 72 H GLU 72 29.433 -3.116 -14.823 514 HA GLU 72 HA GLU 72 27.013 -4.582 -15.445 515 1HB GLU 72 HB2 GLU 72 29.486 -5.090 -13.749 516 2HB GLU 72 HB3 GLU 72 28.090 -6.141 -13.610 517 1HG GLU 72 HG2 GLU 72 29.472 -5.588 -16.262 518 2HG GLU 72 HG3 GLU 72 29.848 -6.959 -15.221 519 H ILE 73 H ILE 73 25.510 -5.326 -13.907 520 HA ILE 73 HA ILE 73 25.039 -3.502 -11.603 521 HB ILE 73 HB ILE 73 23.065 -4.546 -13.696 522 1HG1 ILE 73 HG12 ILE 73 24.015 -1.682 -13.233 523 2HG1 ILE 73 HG13 ILE 73 24.538 -2.715 -14.556 524 1HG2 ILE 73 HG21 ILE 73 21.967 -4.391 -11.539 525 2HG2 ILE 73 HG22 ILE 73 22.694 -2.800 -11.240 526 3HG2 ILE 73 HG23 ILE 73 21.448 -3.020 -12.491 527 1HD1 ILE 73 HD11 ILE 73 22.199 -2.872 -15.381 528 2HD1 ILE 73 HD12 ILE 73 21.728 -1.652 -14.170 529 3HD1 ILE 73 HD13 ILE 73 22.893 -1.246 -15.429 530 H ARG 74 H ARG 74 24.191 -4.542 -9.754 531 HA ARG 74 HA ARG 74 23.140 -7.280 -9.991 532 1HB ARG 74 HB2 ARG 74 25.490 -6.569 -8.180 533 2HB ARG 74 HB3 ARG 74 24.522 -8.027 -8.033 534 1HG ARG 74 HG2 ARG 74 26.229 -7.359 -10.446 535 2HG ARG 74 HG3 ARG 74 26.696 -8.413 -9.115 536 1HD ARG 74 HD2 ARG 74 24.738 -9.881 -9.580 537 2HD ARG 74 HD3 ARG 74 24.344 -8.896 -10.992 538 HE ARG 74 HE ARG 74 26.518 -10.842 -10.674 539 1HH1 ARG 74 HH21 ARG 74 25.445 -8.063 -12.668 540 2HH1 ARG 74 HH22 ARG 74 26.553 -8.459 -13.965 541 1HH2 ARG 74 HH11 ARG 74 27.852 -11.301 -12.239 542 2HH2 ARG 74 HH12 ARG 74 27.931 -10.406 -13.753 543 H ILE 75 H ILE 75 21.886 -7.874 -8.166 544 HA ILE 75 HA ILE 75 21.134 -5.715 -6.265 545 HB ILE 75 HB ILE 75 20.250 -8.627 -6.519 546 1HG1 ILE 75 HG12 ILE 75 19.458 -7.540 -8.450 547 2HG1 ILE 75 HG13 ILE 75 18.094 -7.679 -7.357 548 1HG2 ILE 75 HG21 ILE 75 19.913 -7.897 -4.226 549 2HG2 ILE 75 HG22 ILE 75 19.091 -6.421 -4.776 550 3HG2 ILE 75 HG23 ILE 75 18.361 -8.016 -5.047 551 1HD1 ILE 75 HD11 ILE 75 18.020 -5.533 -8.417 552 2HD1 ILE 75 HD12 ILE 75 18.388 -5.288 -6.697 553 3HD1 ILE 75 HD13 ILE 75 19.679 -5.154 -7.918 554 H ILE 76 H ILE 76 21.798 -5.836 -4.014 555 HA ILE 76 HA ILE 76 23.728 -8.023 -3.364 556 HB ILE 76 HB ILE 76 24.121 -5.234 -2.311 557 1HG1 ILE 76 HG12 ILE 76 25.424 -6.433 -4.797 558 2HG1 ILE 76 HG13 ILE 76 24.413 -4.989 -4.725 559 1HG2 ILE 76 HG21 ILE 76 25.985 -7.638 -2.543 560 2HG2 ILE 76 HG22 ILE 76 26.318 -6.122 -1.680 561 3HG2 ILE 76 HG23 ILE 76 25.075 -7.208 -1.089 562 1HD1 ILE 76 HD11 ILE 76 26.637 -4.199 -4.885 563 2HD1 ILE 76 HD12 ILE 76 26.183 -3.950 -3.181 564 3HD1 ILE 76 HD13 ILE 76 27.229 -5.307 -3.643 565 H ASP 77 H ASP 77 23.172 -9.105 -1.569 566 HA ASP 77 HA ASP 77 20.833 -8.396 -0.002 567 1HB ASP 77 HB2 ASP 77 21.453 -10.731 -0.502 568 2HB ASP 77 HB3 ASP 77 22.972 -10.533 0.375 569 HA PRO 78 HA PRO 78 22.884 -5.704 2.924 570 1HB PRO 78 HB2 PRO 78 21.223 -7.217 4.945 571 2HB PRO 78 HB3 PRO 78 21.546 -5.455 4.858 572 1HG PRO 78 HG2 PRO 78 19.233 -6.435 3.865 573 2HG PRO 78 HG3 PRO 78 20.160 -5.222 2.922 574 1HD PRO 78 HD2 PRO 78 20.018 -8.197 2.512 575 2HD PRO 78 HD3 PRO 78 20.055 -6.871 1.306 576 H ASP 79 H ASP 79 22.962 -9.199 3.634 577 HA ASP 79 HA ASP 79 24.981 -9.014 5.703 578 1HB ASP 79 HB2 ASP 79 23.514 -10.976 5.436 579 2HB ASP 79 HB3 ASP 79 24.228 -11.306 3.852 580 H ASP 80 H ASP 80 25.064 -8.925 2.202 581 HA ASP 80 HA ASP 80 27.988 -9.446 2.112 582 1HB ASP 80 HB2 ASP 80 26.441 -10.790 0.689 583 2HB ASP 80 HB3 ASP 80 25.943 -9.309 -0.128 584 H ILE 81 H ILE 81 25.570 -6.930 1.624 585 HA ILE 81 HA ILE 81 27.056 -4.891 0.368 586 HB ILE 81 HB ILE 81 25.009 -4.845 2.613 587 1HG1 ILE 81 HG12 ILE 81 24.887 -4.120 -0.347 588 2HG1 ILE 81 HG13 ILE 81 24.227 -5.568 0.402 589 1HG2 ILE 81 HG21 ILE 81 25.907 -2.341 1.165 590 2HG2 ILE 81 HG22 ILE 81 24.709 -2.468 2.456 591 3HG2 ILE 81 HG23 ILE 81 26.401 -2.744 2.820 592 1HD1 ILE 81 HD11 ILE 81 23.198 -2.747 0.546 593 2HD1 ILE 81 HD12 ILE 81 22.334 -4.266 0.200 594 3HD1 ILE 81 HD13 ILE 81 22.815 -3.885 1.851 595 H ALA 82 H ALA 82 27.168 -6.032 3.714 596 HA ALA 82 HA ALA 82 28.757 -4.088 4.885 597 1HB ALA 82 HB1 ALA 82 28.782 -7.090 5.388 598 2HB ALA 82 HB2 ALA 82 29.338 -5.843 6.525 599 3HB ALA 82 HB3 ALA 82 27.617 -5.933 6.089 600 H GLU 83 H GLU 83 29.805 -6.643 2.678 601 HA GLU 83 HA GLU 83 32.674 -5.993 3.234 602 1HB GLU 83 HB2 GLU 83 31.381 -8.333 1.783 603 2HB GLU 83 HB3 GLU 83 33.123 -8.020 1.852 604 1HG GLU 83 HG2 GLU 83 33.015 -8.107 4.355 605 2HG GLU 83 HG3 GLU 83 31.308 -8.540 4.249 606 H MET 84 H MET 84 30.174 -6.121 0.702 607 HA MET 84 HA MET 84 32.043 -5.447 -1.384 608 1HB MET 84 HB2 MET 84 29.002 -5.456 -1.314 609 2HB MET 84 HB3 MET 84 29.953 -5.141 -2.775 610 1HG MET 84 HG2 MET 84 30.178 -7.666 -1.088 611 2HG MET 84 HG3 MET 84 29.233 -7.509 -2.554 612 1HE MET 84 HE1 MET 84 31.390 -9.799 -2.042 613 2HE MET 84 HE2 MET 84 30.391 -9.662 -3.505 614 3HE MET 84 HE3 MET 84 32.151 -9.872 -3.648 615 H PHE 85 H PHE 85 30.086 -3.409 0.758 616 HA PHE 85 HA PHE 85 30.613 -1.015 -0.802 617 1HB PHE 85 HB2 PHE 85 29.453 -1.578 1.895 618 2HB PHE 85 HB3 PHE 85 30.303 -0.056 1.711 619 HD1 PHE 85 HD1 PHE 85 27.821 -2.142 -0.268 620 HD2 PHE 85 HD2 PHE 85 29.148 1.796 0.946 621 HE1 PHE 85 HE1 PHE 85 25.909 -1.117 -1.447 622 HE2 PHE 85 HE2 PHE 85 27.246 2.806 -0.287 623 HZ PHE 85 HZ PHE 85 25.618 1.359 -1.460 624 H MET 86 H MET 86 32.269 -2.509 2.047 625 HA MET 86 HA MET 86 34.222 -0.428 2.103 626 1HB MET 86 HB2 MET 86 35.548 -1.793 3.573 627 2HB MET 86 HB3 MET 86 33.859 -1.775 4.072 628 1HG MET 86 HG2 MET 86 33.494 -3.976 3.175 629 2HG MET 86 HG3 MET 86 35.125 -4.051 2.498 630 1HE MET 86 HE1 MET 86 37.074 -3.031 4.783 631 2HE MET 86 HE2 MET 86 37.402 -4.576 5.591 632 3HE MET 86 HE3 MET 86 37.287 -4.512 3.820 633 H MET 87 H MET 87 33.933 -3.179 -0.028 634 HA MET 87 HA MET 87 36.572 -3.379 -0.949 635 1HB MET 87 HB2 MET 87 34.478 -4.812 -1.483 636 2HB MET 87 HB3 MET 87 34.106 -3.592 -2.708 637 1HG MET 87 HG2 MET 87 35.228 -5.426 -3.749 638 2HG MET 87 HG3 MET 87 36.307 -4.034 -3.775 639 1HE MET 87 HE1 MET 87 37.217 -7.000 -4.435 640 2HE MET 87 HE2 MET 87 38.312 -5.598 -4.456 641 3HE MET 87 HE3 MET 87 38.770 -7.070 -3.572 642 H THR 88 H THR 88 34.223 -0.735 -1.492 643 HA THR 88 HA THR 88 35.580 0.353 -3.770 644 HB THR 88 HB THR 88 34.235 2.352 -3.341 645 HG1 THR 88 HG1 THR 88 33.208 0.950 -1.092 646 1HG2 THR 88 HG21 THR 88 32.029 1.366 -3.703 647 2HG2 THR 88 HG22 THR 88 33.274 0.539 -4.650 648 3HG2 THR 88 HG23 THR 88 32.624 -0.222 -3.171 649 H THR 89 H THR 89 36.632 0.133 -0.608 650 HA THR 89 HA THR 89 38.884 0.430 -0.216 651 HB THR 89 HB THR 89 38.779 3.275 -1.266 652 HG1 THR 89 HG1 THR 89 38.692 1.914 -2.949 653 1HG2 THR 89 HG21 THR 89 40.482 2.976 0.485 654 2HG2 THR 89 HG22 THR 89 41.089 1.510 -0.317 655 3HG2 THR 89 HG23 THR 89 41.255 3.100 -1.098 656 H HIS 90 H HIS 90 37.790 -0.036 1.704 657 HA HIS 90 HA HIS 90 37.257 0.227 3.847 658 1HB HIS 90 HB2 HIS 90 38.976 2.726 3.773 659 2HB HIS 90 HB3 HIS 90 38.594 1.736 5.180 660 HD1 HIS 90 HD1 HIS 90 41.359 2.178 2.861 661 HD2 HIS 90 HD2 HIS 90 39.429 -1.073 4.717 662 HE1 HIS 90 HE1 HIS 90 42.988 0.226 2.755 663 H ASN 91 H ASN 91 35.462 1.484 1.891 664 HA ASN 91 HA ASN 91 34.171 3.783 3.032 665 1HB ASN 91 HB2 ASN 91 33.960 2.702 0.696 666 2HB ASN 91 HB3 ASN 91 32.835 1.560 1.454 667 1HD2 ASN 91 HD22 ASN 91 32.054 3.046 -0.668 668 2HD2 ASN 91 HD21 ASN 91 30.884 4.258 -0.166 669 H MET 92 H MET 92 31.994 3.681 4.118 670 HA MET 92 HA MET 92 32.155 1.948 6.431 671 1HB MET 92 HB2 MET 92 29.934 3.823 5.504 672 2HB MET 92 HB3 MET 92 30.020 3.013 7.078 673 1HG MET 92 HG2 MET 92 32.160 4.161 7.561 674 2HG MET 92 HG3 MET 92 32.031 5.032 6.027 675 1HE MET 92 HE1 MET 92 32.507 6.448 8.830 676 2HE MET 92 HE2 MET 92 32.375 7.321 7.286 677 3HE MET 92 HE3 MET 92 31.409 7.838 8.685 678 HA PRO 93 HA PRO 93 29.666 -1.362 4.702 679 1HB PRO 93 HB2 PRO 93 29.024 -2.792 6.930 680 2HB PRO 93 HB3 PRO 93 30.717 -2.615 6.386 681 1HG PRO 93 HG2 PRO 93 29.288 -0.983 8.510 682 2HG PRO 93 HG3 PRO 93 30.874 -1.810 8.629 683 1HD PRO 93 HD2 PRO 93 30.638 0.846 7.994 684 2HD PRO 93 HD3 PRO 93 31.930 -0.184 7.306 685 H LEU 94 H LEU 94 28.214 0.434 4.060 686 HA LEU 94 HA LEU 94 26.320 1.626 5.535 687 1HB LEU 94 HB2 LEU 94 27.033 1.505 2.786 688 2HB LEU 94 HB3 LEU 94 25.274 1.440 2.848 689 HG LEU 94 HG LEU 94 26.993 3.485 4.322 690 1HD1 LEU 94 HD11 LEU 94 25.500 3.766 1.679 691 2HD1 LEU 94 HD12 LEU 94 26.279 5.096 2.569 692 3HD1 LEU 94 HD13 LEU 94 27.263 3.780 1.920 693 1HD2 LEU 94 HD21 LEU 94 23.983 3.456 3.770 694 2HD2 LEU 94 HD22 LEU 94 24.754 3.243 5.353 695 3HD2 LEU 94 HD23 LEU 94 24.883 4.791 4.527 696 H ASN 95 H ASN 95 25.945 -1.648 5.023 697 HA ASN 95 HA ASN 95 23.116 -1.918 5.017 698 1HB ASN 95 HB2 ASN 95 23.396 -4.077 5.652 699 2HB ASN 95 HB3 ASN 95 25.000 -3.788 4.990 700 1HD2 ASN 95 HD22 ASN 95 26.499 -2.652 7.086 701 2HD2 ASN 95 HD21 ASN 95 26.412 -3.706 8.463 702 H TYR 96 H TYR 96 25.223 -0.519 7.471 703 HA TYR 96 HA TYR 96 23.564 -0.869 9.733 704 1HB TYR 96 HB2 TYR 96 24.768 0.904 10.735 705 2HB TYR 96 HB3 TYR 96 25.903 0.003 9.747 706 HD1 TYR 96 HD1 TYR 96 27.181 1.122 8.037 707 HD2 TYR 96 HD2 TYR 96 23.902 3.159 9.946 708 HE1 TYR 96 HE1 TYR 96 27.798 3.219 6.872 709 HE2 TYR 96 HE2 TYR 96 24.539 5.260 8.829 710 HH TYR 96 HH TYR 96 26.017 6.292 7.313 711 H LEU 97 H LEU 97 23.138 1.271 6.918 712 HA LEU 97 HA LEU 97 21.068 2.909 8.161 713 1HB LEU 97 HB2 LEU 97 22.324 3.719 6.264 714 2HB LEU 97 HB3 LEU 97 21.831 2.368 5.251 715 HG LEU 97 HG LEU 97 19.612 3.997 6.452 716 1HD1 LEU 97 HD11 LEU 97 19.805 5.756 4.749 717 2HD1 LEU 97 HD12 LEU 97 21.235 5.741 5.784 718 3HD1 LEU 97 HD13 LEU 97 21.325 5.028 4.161 719 1HD2 LEU 97 HD21 LEU 97 20.077 2.907 3.635 720 2HD2 LEU 97 HD22 LEU 97 19.081 2.134 4.882 721 3HD2 LEU 97 HD23 LEU 97 18.597 3.692 4.221 722 H ILE 98 H ILE 98 21.149 -0.012 6.090 723 HA ILE 98 HA ILE 98 18.333 -0.284 5.815 724 HB ILE 98 HB ILE 98 20.600 -2.316 5.668 725 1HG1 ILE 98 HG12 ILE 98 19.069 -0.818 3.496 726 2HG1 ILE 98 HG13 ILE 98 20.692 -0.412 4.043 727 1HG2 ILE 98 HG21 ILE 98 17.673 -2.640 4.907 728 2HG2 ILE 98 HG22 ILE 98 18.958 -3.739 4.369 729 3HG2 ILE 98 HG23 ILE 98 18.602 -3.587 6.077 730 1HD1 ILE 98 HD11 ILE 98 20.991 -1.594 2.036 731 2HD1 ILE 98 HD12 ILE 98 21.438 -2.720 3.335 732 3HD1 ILE 98 HD13 ILE 98 19.868 -2.878 2.500 733 H ASP 99 H ASP 99 20.642 -1.597 8.252 734 HA ASP 99 HA ASP 99 18.808 -3.179 9.646 735 1HB ASP 99 HB2 ASP 99 21.235 -3.265 9.984 736 2HB ASP 99 HB3 ASP 99 21.231 -1.632 10.652 737 H GLN 100 H GLN 100 19.036 0.306 9.642 738 HA GLN 100 HA GLN 100 17.509 0.618 12.154 739 1HB GLN 100 HB2 GLN 100 18.720 2.566 10.154 740 2HB GLN 100 HB3 GLN 100 17.715 3.092 11.501 741 1HG GLN 100 HG2 GLN 100 19.238 2.164 13.136 742 2HG GLN 100 HG3 GLN 100 20.221 1.409 11.881 743 1HE2 GLN 100 HE22 GLN 100 21.636 2.668 10.634 744 2HE2 GLN 100 HE21 GLN 100 22.011 4.349 11.028 745 H LEU 101 H LEU 101 16.631 -0.249 9.068 746 HA LEU 101 HA LEU 101 13.970 1.123 9.235 747 1HB LEU 101 HB2 LEU 101 15.902 0.810 6.904 748 2HB LEU 101 HB3 LEU 101 14.205 1.196 6.683 749 HG LEU 101 HG LEU 101 16.058 2.942 8.344 750 1HD1 LEU 101 HD11 LEU 101 16.907 2.854 6.071 751 2HD1 LEU 101 HD12 LEU 101 15.293 3.180 5.408 752 3HD1 LEU 101 HD13 LEU 101 16.143 4.421 6.363 753 1HD2 LEU 101 HD21 LEU 101 14.279 4.661 7.891 754 2HD2 LEU 101 HD22 LEU 101 13.292 3.407 7.127 755 3HD2 LEU 101 HD23 LEU 101 13.685 3.301 8.854 756 H LYS 102 H LYS 102 15.800 -1.726 8.191 757 HA LYS 102 HA LYS 102 13.769 -3.132 6.888 758 1HB LYS 102 HB2 LYS 102 15.175 -5.026 7.074 759 2HB LYS 102 HB3 LYS 102 16.264 -3.637 7.005 760 1HG LYS 102 HG2 LYS 102 16.526 -3.746 9.490 761 2HG LYS 102 HG3 LYS 102 15.494 -5.187 9.506 762 1HD LYS 102 HD2 LYS 102 17.090 -6.375 8.025 763 2HD LYS 102 HD3 LYS 102 18.110 -4.938 7.970 764 1HE LYS 102 HE2 LYS 102 19.082 -6.486 9.518 765 2HE LYS 102 HE3 LYS 102 18.490 -5.089 10.415 766 1HZ LYS 102 HZ1 LYS 102 17.049 -7.670 10.220 767 2HZ LYS 102 HZ2 LYS 102 17.944 -7.185 11.493 768 3HZ LYS 102 HZ3 LYS 102 16.578 -6.373 11.126 769 H GLU 103 H GLU 103 14.080 -2.514 10.286 770 HA GLU 103 HA GLU 103 12.555 -4.716 11.260 771 1HB GLU 103 HB2 GLU 103 13.146 -1.975 12.454 772 2HB GLU 103 HB3 GLU 103 12.479 -3.343 13.348 773 1HG GLU 103 HG2 GLU 103 15.233 -3.214 12.050 774 2HG GLU 103 HG3 GLU 103 14.882 -3.078 13.765 775 H ASP 104 H ASP 104 11.565 -1.897 9.501 776 HA ASP 104 HA ASP 104 8.732 -2.327 10.366 777 1HB ASP 104 HB2 ASP 104 9.677 -0.324 11.481 778 2HB ASP 104 HB3 ASP 104 10.076 0.357 9.899 779 H ILE 105 H ILE 105 10.975 -1.333 7.745 780 HA ILE 105 HA ILE 105 8.895 -1.005 5.776 781 HB ILE 105 HB ILE 105 11.899 -1.486 5.561 782 1HG1 ILE 105 HG12 ILE 105 10.172 1.018 5.352 783 2HG1 ILE 105 HG13 ILE 105 11.319 0.648 6.636 784 1HG2 ILE 105 HG21 ILE 105 9.884 -0.775 3.374 785 2HG2 ILE 105 HG22 ILE 105 11.644 -0.760 3.171 786 3HG2 ILE 105 HG23 ILE 105 10.842 -2.260 3.523 787 1HD1 ILE 105 HD11 ILE 105 12.420 2.212 5.251 788 2HD1 ILE 105 HD12 ILE 105 13.151 0.638 4.840 789 3HD1 ILE 105 HD13 ILE 105 11.949 1.375 3.773 790 H GLY 106 H GLY 106 8.184 -2.503 4.279 791 1HA GLY 106 HA2 GLY 106 7.904 -5.205 5.166 792 2HA GLY 106 HA3 GLY 106 7.381 -4.541 3.612 793 H GLU 107 H GLU 107 9.903 -3.729 2.493 794 HA GLU 107 HA GLU 107 11.774 -5.952 2.775 795 1HB GLU 107 HB2 GLU 107 10.102 -6.642 0.979 796 2HB GLU 107 HB3 GLU 107 10.548 -5.180 0.086 797 1HG GLU 107 HG2 GLU 107 11.683 -7.160 -0.811 798 2HG GLU 107 HG3 GLU 107 12.835 -5.993 -0.188 799 H VAL 108 H VAL 108 13.895 -5.296 2.188 800 HA VAL 108 HA VAL 108 14.196 -2.539 1.132 801 HB VAL 108 HB VAL 108 15.864 -3.667 3.412 802 1HG1 VAL 108 HG11 VAL 108 17.147 -2.124 2.054 803 2HG1 VAL 108 HG12 VAL 108 15.787 -0.992 1.940 804 3HG1 VAL 108 HG13 VAL 108 16.626 -1.216 3.481 805 1HG2 VAL 108 HG21 VAL 108 14.818 -1.967 4.848 806 2HG2 VAL 108 HG22 VAL 108 13.727 -1.513 3.525 807 3HG2 VAL 108 HG23 VAL 108 13.618 -3.127 4.266 808 H ILE 109 H ILE 109 15.496 -2.500 -0.562 809 HA ILE 109 HA ILE 109 17.115 -4.897 -1.282 810 HB ILE 109 HB ILE 109 15.448 -3.069 -3.067 811 1HG1 ILE 109 HG12 ILE 109 14.555 -5.891 -2.385 812 2HG1 ILE 109 HG13 ILE 109 14.029 -4.522 -1.413 813 1HG2 ILE 109 HG21 ILE 109 16.738 -5.783 -3.610 814 2HG2 ILE 109 HG22 ILE 109 15.702 -4.908 -4.747 815 3HG2 ILE 109 HG23 ILE 109 17.248 -4.215 -4.280 816 1HD1 ILE 109 HD11 ILE 109 12.332 -4.961 -2.994 817 2HD1 ILE 109 HD12 ILE 109 13.078 -3.391 -3.333 818 3HD1 ILE 109 HD13 ILE 109 13.461 -4.802 -4.360 819 H PHE 110 H PHE 110 19.060 -4.372 -2.499 820 HA PHE 110 HA PHE 110 19.630 -1.508 -2.930 821 1HB PHE 110 HB2 PHE 110 20.844 -2.068 -0.877 822 2HB PHE 110 HB3 PHE 110 21.504 -3.510 -1.660 823 HD1 PHE 110 HD1 PHE 110 23.338 -3.386 -3.241 824 HD2 PHE 110 HD2 PHE 110 21.677 0.206 -1.566 825 HE1 PHE 110 HE1 PHE 110 25.176 -2.056 -4.237 826 HE2 PHE 110 HE2 PHE 110 23.439 1.547 -2.664 827 HZ PHE 110 HZ PHE 110 25.194 0.408 -4.020 828 H LEU 111 H LEU 111 20.695 -1.147 -4.848 829 HA LEU 111 HA LEU 111 21.527 -3.480 -6.489 830 1HB LEU 111 HB2 LEU 111 19.459 -2.630 -7.339 831 2HB LEU 111 HB3 LEU 111 20.014 -0.960 -7.281 832 HG LEU 111 HG LEU 111 21.525 -2.975 -8.958 833 1HD1 LEU 111 HD11 LEU 111 19.166 -3.268 -9.582 834 2HD1 LEU 111 HD12 LEU 111 18.985 -1.502 -9.763 835 3HD1 LEU 111 HD13 LEU 111 20.013 -2.425 -10.868 836 1HD2 LEU 111 HD21 LEU 111 22.534 -0.717 -8.854 837 2HD2 LEU 111 HD22 LEU 111 21.847 -0.951 -10.443 838 3HD2 LEU 111 HD23 LEU 111 20.970 0.021 -9.257 839 H GLY 112 H GLY 112 23.582 -3.345 -7.109 840 1HA GLY 112 HA2 GLY 112 25.123 -0.838 -6.617 841 2HA GLY 112 HA3 GLY 112 25.772 -2.471 -6.489 842 H ILE 113 H ILE 113 26.729 -0.346 -8.176 843 HA ILE 113 HA ILE 113 26.505 -1.636 -10.848 844 HB ILE 113 HB ILE 113 26.606 1.351 -10.246 845 1HG1 ILE 113 HG12 ILE 113 24.332 -0.221 -11.542 846 2HG1 ILE 113 HG13 ILE 113 24.348 0.318 -9.860 847 1HG2 ILE 113 HG21 ILE 113 26.480 1.672 -12.685 848 2HG2 ILE 113 HG22 ILE 113 27.898 0.736 -12.276 849 3HG2 ILE 113 HG23 ILE 113 26.476 -0.096 -12.930 850 1HD1 ILE 113 HD11 ILE 113 24.314 2.120 -12.290 851 2HD1 ILE 113 HD12 ILE 113 23.063 1.903 -11.054 852 3HD1 ILE 113 HD13 ILE 113 24.605 2.665 -10.617 853 H GLN 114 H GLN 114 28.538 -2.204 -11.552 854 HA GLN 114 HA GLN 114 30.859 -1.844 -9.985 855 1HB GLN 114 HB2 GLN 114 30.532 -3.678 -11.571 856 2HB GLN 114 HB3 GLN 114 30.482 -2.550 -12.921 857 1HG GLN 114 HG2 GLN 114 32.645 -3.633 -12.813 858 2HG GLN 114 HG3 GLN 114 32.846 -1.923 -12.516 859 1HE2 GLN 114 HE22 GLN 114 34.252 -1.482 -10.812 860 2HE2 GLN 114 HE21 GLN 114 34.559 -2.612 -9.475 861 HA PRO 115 HA PRO 115 31.895 2.322 -11.685 862 1HB PRO 115 HB2 PRO 115 33.731 3.089 -9.856 863 2HB PRO 115 HB3 PRO 115 31.989 3.053 -9.453 864 1HG PRO 115 HG2 PRO 115 34.079 0.924 -8.863 865 2HG PRO 115 HG3 PRO 115 32.897 1.657 -7.728 866 1HD PRO 115 HD2 PRO 115 32.431 -0.713 -9.016 867 2HD PRO 115 HD3 PRO 115 31.128 0.441 -8.633 868 H ASP 116 H ASP 116 33.999 3.244 -12.416 869 HA ASP 116 HA ASP 116 36.221 1.289 -12.782 870 1HB ASP 116 HB2 ASP 116 34.961 1.575 -14.900 871 2HB ASP 116 HB3 ASP 116 35.198 3.316 -14.807 872 H ILE 117 H ILE 117 35.130 4.695 -12.330 873 HA ILE 117 HA ILE 117 37.810 5.286 -11.211 874 HB ILE 117 HB ILE 117 38.134 7.249 -12.341 875 1HG1 ILE 117 HG12 ILE 117 36.302 8.138 -14.049 876 2HG1 ILE 117 HG13 ILE 117 35.184 7.329 -12.951 877 1HG2 ILE 117 HG21 ILE 117 38.468 5.340 -13.881 878 2HG2 ILE 117 HG22 ILE 117 36.827 5.596 -14.533 879 3HG2 ILE 117 HG23 ILE 117 38.065 6.845 -14.721 880 1HD1 ILE 117 HD11 ILE 117 35.449 9.671 -12.369 881 2HD1 ILE 117 HD12 ILE 117 36.229 8.740 -11.080 882 3HD1 ILE 117 HD13 ILE 117 37.217 9.513 -12.330 883 H VAL 118 H VAL 118 37.729 6.380 -9.287 884 HA VAL 118 HA VAL 118 35.250 7.745 -8.471 885 HB VAL 118 HB VAL 118 36.593 5.524 -6.864 886 1HG1 VAL 118 HG11 VAL 118 34.854 5.984 -5.138 887 2HG1 VAL 118 HG12 VAL 118 35.967 7.336 -5.339 888 3HG1 VAL 118 HG13 VAL 118 34.343 7.416 -6.055 889 1HG2 VAL 118 HG21 VAL 118 33.764 5.733 -7.992 890 2HG2 VAL 118 HG22 VAL 118 35.027 4.588 -8.496 891 3HG2 VAL 118 HG23 VAL 118 34.332 4.465 -6.883 892 H GLY 119 H GLY 119 35.773 9.605 -7.425 893 1HA GLY 119 HA2 GLY 119 37.718 10.270 -5.668 894 2HA GLY 119 HA3 GLY 119 38.567 10.443 -7.217 895 H PHE 120 H PHE 120 37.822 12.622 -5.366 896 HA PHE 120 HA PHE 120 35.414 13.884 -6.210 897 1HB PHE 120 HB2 PHE 120 37.857 14.973 -4.771 898 2HB PHE 120 HB3 PHE 120 36.368 15.871 -5.024 899 HD1 PHE 120 HD1 PHE 120 38.045 13.601 -2.808 900 HD2 PHE 120 HD2 PHE 120 34.135 14.812 -4.185 901 HE1 PHE 120 HE1 PHE 120 37.019 12.627 -0.770 902 HE2 PHE 120 HE2 PHE 120 33.120 13.831 -2.146 903 HZ PHE 120 HZ PHE 120 34.556 12.740 -0.436 904 H TYR 121 H TYR 121 35.086 15.654 -7.371 905 HA TYR 121 HA TYR 121 35.048 16.961 -9.143 906 1HB TYR 121 HB2 TYR 121 38.047 17.304 -8.825 907 2HB TYR 121 HB3 TYR 121 36.942 18.373 -9.674 908 HD1 TYR 121 HD1 TYR 121 35.094 19.570 -8.338 909 HD2 TYR 121 HD2 TYR 121 38.425 17.560 -6.469 910 HE1 TYR 121 HE1 TYR 121 34.667 20.819 -6.243 911 HE2 TYR 121 HE2 TYR 121 38.005 18.797 -4.369 912 HH TYR 121 HH TYR 121 36.667 20.371 -3.286 913 H TYR 122 H TYR 122 35.054 14.214 -9.643 914 HA TYR 122 HA TYR 122 36.185 14.209 -12.402 915 1HB TYR 122 HB2 TYR 122 35.792 11.801 -10.599 916 2HB TYR 122 HB3 TYR 122 36.277 11.774 -12.284 917 HD1 TYR 122 HD1 TYR 122 37.607 10.462 -9.880 918 HD2 TYR 122 HD2 TYR 122 38.412 14.102 -12.052 919 HE1 TYR 122 HE1 TYR 122 40.003 10.221 -9.373 920 HE2 TYR 122 HE2 TYR 122 40.800 13.915 -11.492 921 HH TYR 122 HH TYR 122 42.452 12.653 -10.428 922 HA PRO 123 HA PRO 123 31.871 13.445 -13.350 923 1HB PRO 123 HB2 PRO 123 31.990 12.827 -15.975 924 2HB PRO 123 HB3 PRO 123 32.493 14.443 -15.389 925 1HG PRO 123 HG2 PRO 123 34.255 12.052 -16.012 926 2HG PRO 123 HG3 PRO 123 34.461 13.749 -16.559 927 1HD PRO 123 HD2 PRO 123 35.740 12.672 -14.356 928 2HD PRO 123 HD3 PRO 123 35.305 14.408 -14.481 929 H MET 124 H MET 124 30.422 11.689 -14.086 930 HA MET 124 HA MET 124 31.274 8.979 -13.399 931 1HB MET 124 HB2 MET 124 29.016 9.884 -12.914 932 2HB MET 124 HB3 MET 124 28.727 10.112 -14.645 933 1HG MET 124 HG2 MET 124 29.020 7.635 -14.961 934 2HG MET 124 HG3 MET 124 29.151 7.460 -13.216 935 1HE MET 124 HE1 MET 124 27.272 7.984 -11.526 936 2HE MET 124 HE2 MET 124 26.933 9.618 -12.152 937 3HE MET 124 HE3 MET 124 25.611 8.462 -11.960 938 H THR 125 H THR 125 31.770 7.396 -14.899 939 HA THR 125 HA THR 125 32.560 8.255 -17.576 940 HB THR 125 HB THR 125 33.422 5.943 -17.731 941 HG1 THR 125 HG1 THR 125 32.432 5.673 -15.071 942 1HG2 THR 125 HG21 THR 125 35.134 6.029 -16.036 943 2HG2 THR 125 HG22 THR 125 34.866 7.655 -16.694 944 3HG2 THR 125 HG23 THR 125 34.211 7.223 -15.096 945 H GLN 126 H GLN 126 31.884 7.061 -19.535 946 HA GLN 126 HA GLN 126 29.164 7.079 -19.933 947 1HB GLN 126 HB2 GLN 126 30.837 7.310 -21.684 948 2HB GLN 126 HB3 GLN 126 31.347 5.635 -21.473 949 1HG GLN 126 HG2 GLN 126 29.976 5.837 -23.441 950 2HG GLN 126 HG3 GLN 126 29.143 4.845 -22.258 951 1HE2 GLN 126 HE21 GLN 126 27.243 5.787 -21.129 952 2HE2 GLN 126 HE22 GLN 126 26.385 7.127 -21.867 953 HA PRO 127 HA PRO 127 28.771 2.384 -19.661 954 1HB PRO 127 HB2 PRO 127 30.337 0.899 -17.926 955 2HB PRO 127 HB3 PRO 127 30.639 1.108 -19.675 956 1HG PRO 127 HG2 PRO 127 31.901 2.581 -17.367 957 2HG PRO 127 HG3 PRO 127 32.680 1.951 -18.846 958 1HD PRO 127 HD2 PRO 127 32.013 4.553 -18.525 959 2HD PRO 127 HD3 PRO 127 31.920 3.767 -20.124 960 H ILE 128 H ILE 128 29.759 4.157 -16.691 961 HA ILE 128 HA ILE 128 27.710 2.776 -15.121 962 HB ILE 128 HB ILE 128 29.605 5.053 -14.495 963 1HG1 ILE 128 HG12 ILE 128 30.483 3.445 -12.828 964 2HG1 ILE 128 HG13 ILE 128 29.327 2.230 -13.334 965 1HG2 ILE 128 HG21 ILE 128 27.639 3.749 -12.545 966 2HG2 ILE 128 HG22 ILE 128 28.829 5.019 -12.185 967 3HG2 ILE 128 HG23 ILE 128 27.450 5.371 -13.214 968 1HD1 ILE 128 HD11 ILE 128 30.491 1.859 -15.388 969 2HD1 ILE 128 HD12 ILE 128 31.460 3.331 -15.172 970 3HD1 ILE 128 HD13 ILE 128 31.725 1.943 -14.124 971 H LYS 129 H LYS 129 28.034 5.880 -16.868 972 HA LYS 129 HA LYS 129 25.462 6.931 -16.203 973 1HB LYS 129 HB2 LYS 129 27.081 7.127 -18.779 974 2HB LYS 129 HB3 LYS 129 25.524 7.923 -18.560 975 1HG LYS 129 HG2 LYS 129 26.380 9.209 -16.666 976 2HG LYS 129 HG3 LYS 129 27.963 8.419 -16.815 977 1HD LYS 129 HD2 LYS 129 28.272 9.354 -19.058 978 2HD LYS 129 HD3 LYS 129 26.645 10.075 -19.011 979 1HE LYS 129 HE2 LYS 129 27.295 11.448 -17.065 980 2HE LYS 129 HE3 LYS 129 28.907 10.720 -17.072 981 1HZ LYS 129 HZ1 LYS 129 27.786 12.374 -19.265 982 2HZ LYS 129 HZ2 LYS 129 28.892 12.872 -18.179 983 3HZ LYS 129 HZ3 LYS 129 29.282 11.712 -19.252 984 H ASP 130 H ASP 130 26.398 4.588 -18.758 985 HA ASP 130 HA ASP 130 23.765 4.217 -19.779 986 1HB ASP 130 HB2 ASP 130 25.767 3.540 -21.010 987 2HB ASP 130 HB3 ASP 130 26.158 2.345 -19.773 988 H ALA 131 H ALA 131 25.521 2.561 -17.151 989 HA ALA 131 HA ALA 131 23.504 0.617 -16.616 990 1HB ALA 131 HB1 ALA 131 25.799 0.463 -15.737 991 2HB ALA 131 HB2 ALA 131 25.514 1.891 -14.720 992 3HB ALA 131 HB3 ALA 131 24.602 0.401 -14.422 993 H VAL 132 H VAL 132 24.051 3.909 -15.183 994 HA VAL 132 HA VAL 132 21.797 3.784 -13.447 995 HB VAL 132 HB VAL 132 23.350 6.119 -14.633 996 1HG1 VAL 132 HG11 VAL 132 21.229 7.086 -14.057 997 2HG1 VAL 132 HG12 VAL 132 21.106 6.103 -12.588 998 3HG1 VAL 132 HG13 VAL 132 22.289 7.415 -12.675 999 1HG2 VAL 132 HG21 VAL 132 24.576 4.618 -13.015 1000 2HG2 VAL 132 HG22 VAL 132 24.351 6.263 -12.420 1001 3HG2 VAL 132 HG23 VAL 132 23.320 4.952 -11.809 1002 H GLU 133 H GLU 133 22.098 4.895 -16.872 1003 HA GLU 133 HA GLU 133 19.402 5.739 -17.179 1004 1HB GLU 133 HB2 GLU 133 21.142 6.263 -18.801 1005 2HB GLU 133 HB3 GLU 133 21.416 4.561 -19.131 1006 1HG GLU 133 HG2 GLU 133 20.180 5.569 -20.943 1007 2HG GLU 133 HG3 GLU 133 19.215 4.327 -20.159 1008 H THR 134 H THR 134 20.913 2.482 -17.518 1009 HA THR 134 HA THR 134 18.559 1.151 -18.391 1010 HB THR 134 HB THR 134 20.921 0.045 -16.805 1011 HG1 THR 134 HG1 THR 134 21.608 1.050 -18.692 1012 1HG2 THR 134 HG21 THR 134 18.923 -1.349 -18.636 1013 2HG2 THR 134 HG22 THR 134 20.387 -2.087 -17.944 1014 3HG2 THR 134 HG23 THR 134 19.074 -1.570 -16.880 1015 H VAL 135 H VAL 135 19.873 1.645 -15.046 1016 HA VAL 135 HA VAL 135 17.752 0.275 -13.720 1017 HB VAL 135 HB VAL 135 19.609 2.508 -12.793 1018 1HG1 VAL 135 HG11 VAL 135 17.789 0.701 -11.131 1019 2HG1 VAL 135 HG12 VAL 135 19.068 1.747 -10.474 1020 3HG1 VAL 135 HG13 VAL 135 17.670 2.467 -11.279 1021 1HG2 VAL 135 HG21 VAL 135 20.728 0.361 -13.443 1022 2HG2 VAL 135 HG22 VAL 135 20.866 0.713 -11.727 1023 3HG2 VAL 135 HG23 VAL 135 19.695 -0.502 -12.298 1024 H TYR 136 H TYR 136 18.129 3.755 -14.612 1025 HA TYR 136 HA TYR 136 15.751 4.728 -13.491 1026 1HB TYR 136 HB2 TYR 136 17.294 6.312 -14.293 1027 2HB TYR 136 HB3 TYR 136 17.473 5.513 -15.835 1028 HD1 TYR 136 HD1 TYR 136 16.507 6.458 -17.701 1029 HD2 TYR 136 HD2 TYR 136 14.733 7.179 -13.831 1030 HE1 TYR 136 HE1 TYR 136 14.842 7.940 -18.751 1031 HE2 TYR 136 HE2 TYR 136 13.051 8.665 -14.883 1032 HH TYR 136 HH TYR 136 12.958 9.252 -18.436 1033 H GLN 137 H GLN 137 16.226 3.314 -16.813 1034 HA GLN 137 HA GLN 137 13.444 3.571 -17.435 1035 1HB GLN 137 HB2 GLN 137 15.531 1.683 -18.587 1036 2HB GLN 137 HB3 GLN 137 13.926 1.939 -19.269 1037 1HG GLN 137 HG2 GLN 137 16.085 4.071 -19.000 1038 2HG GLN 137 HG3 GLN 137 15.683 3.196 -20.463 1039 1HE2 GLN 137 HE22 GLN 137 15.709 5.896 -20.591 1040 2HE2 GLN 137 HE21 GLN 137 14.060 6.494 -20.774 1041 H ARG 138 H ARG 138 15.281 0.974 -15.857 1042 HA ARG 138 HA ARG 138 13.343 -1.056 -15.994 1043 1HB ARG 138 HB2 ARG 138 15.846 -0.995 -15.000 1044 2HB ARG 138 HB3 ARG 138 15.011 -0.696 -13.489 1045 1HG ARG 138 HG2 ARG 138 15.267 -3.002 -13.521 1046 2HG ARG 138 HG3 ARG 138 13.603 -2.833 -14.039 1047 1HD ARG 138 HD2 ARG 138 14.096 -3.479 -16.246 1048 2HD ARG 138 HD3 ARG 138 15.744 -2.838 -16.171 1049 HE ARG 138 HE ARG 138 15.193 -5.140 -14.430 1050 1HH1 ARG 138 HH21 ARG 138 16.503 -4.156 -17.591 1051 2HH1 ARG 138 HH22 ARG 138 17.601 -5.482 -17.681 1052 1HH2 ARG 138 HH11 ARG 138 16.604 -6.774 -14.508 1053 2HH2 ARG 138 HH12 ARG 138 17.647 -7.073 -15.877 1054 H LEU 139 H LEU 139 13.570 1.666 -13.746 1055 HA LEU 139 HA LEU 139 11.920 0.705 -11.708 1056 1HB LEU 139 HB2 LEU 139 12.433 3.517 -12.712 1057 2HB LEU 139 HB3 LEU 139 11.509 3.208 -11.254 1058 HG LEU 139 HG LEU 139 14.374 2.273 -11.619 1059 1HD1 LEU 139 HD11 LEU 139 14.953 4.206 -10.180 1060 2HD1 LEU 139 HD12 LEU 139 14.251 4.713 -11.726 1061 3HD1 LEU 139 HD13 LEU 139 13.261 4.755 -10.258 1062 1HD2 LEU 139 HD21 LEU 139 12.701 2.551 -9.096 1063 2HD2 LEU 139 HD22 LEU 139 13.131 1.012 -9.877 1064 3HD2 LEU 139 HD23 LEU 139 14.395 2.038 -9.196 1065 H GLU 140 H GLU 140 10.810 1.595 -14.907 1066 HA GLU 140 HA GLU 140 8.117 2.254 -14.012 1067 1HB GLU 140 HB2 GLU 140 9.203 3.148 -16.096 1068 2HB GLU 140 HB3 GLU 140 9.160 1.532 -16.786 1069 1HG GLU 140 HG2 GLU 140 7.372 2.995 -17.631 1070 2HG GLU 140 HG3 GLU 140 6.725 1.574 -16.831 1071 H GLY 141 H GLY 141 9.845 -0.700 -14.592 1072 1HA GLY 141 HA2 GLY 141 7.317 -2.294 -14.545 1073 2HA GLY 141 HA3 GLY 141 8.464 -2.479 -15.874 1074 H TRP 142 H TRP 142 10.265 -1.889 -13.096 1075 HA TRP 142 HA TRP 142 11.355 -4.406 -12.656 1076 1HB TRP 142 HB2 TRP 142 12.314 -2.312 -11.899 1077 2HB TRP 142 HB3 TRP 142 10.939 -1.991 -10.853 1078 HD1 TRP 142 HD1 TRP 142 10.834 -4.467 -9.002 1079 HE1 TRP 142 HE1 TRP 142 12.736 -5.173 -7.486 1080 HE3 TRP 142 HE3 TRP 142 14.580 -1.778 -11.198 1081 HZ2 TRP 142 HZ2 TRP 142 15.526 -4.432 -7.091 1082 HZ3 TRP 142 HZ3 TRP 142 16.824 -1.722 -10.179 1083 HH2 TRP 142 HH2 TRP 142 17.313 -3.051 -8.128 1084 H GLU 143 H GLU 143 10.790 -6.134 -11.445 1085 HA GLU 143 HA GLU 143 8.658 -6.016 -9.440 1086 1HB GLU 143 HB2 GLU 143 7.526 -6.710 -11.558 1087 2HB GLU 143 HB3 GLU 143 8.675 -8.043 -11.733 1088 1HG GLU 143 HG2 GLU 143 7.848 -9.050 -9.632 1089 2HG GLU 143 HG3 GLU 143 6.777 -7.671 -9.372 1090 H GLY 144 H GLY 144 9.136 -7.538 -7.772 1091 1HA GLY 144 HA2 GLY 144 10.480 -8.795 -6.419 1092 2HA GLY 144 HA3 GLY 144 10.823 -9.745 -7.868 1093 H ASN 145 H ASN 145 12.927 -9.934 -8.261 1094 HA ASN 145 HA ASN 145 14.923 -8.261 -7.001 1095 1HB ASN 145 HB2 ASN 145 14.850 -10.893 -7.821 1096 2HB ASN 145 HB3 ASN 145 15.727 -10.168 -9.165 1097 1HD2 ASN 145 HD22 ASN 145 17.958 -10.387 -8.837 1098 2HD2 ASN 145 HD21 ASN 145 18.705 -10.390 -7.254 1099 H GLY 146 H GLY 146 13.066 -7.438 -9.570 1100 1HA GLY 146 HA2 GLY 146 13.276 -5.891 -11.231 1101 2HA GLY 146 HA3 GLY 146 14.936 -5.555 -10.705 1102 H GLY 147 H GLY 147 14.259 -8.900 -11.360 1103 1HA GLY 147 HA2 GLY 147 15.018 -10.343 -12.951 1104 2HA GLY 147 HA3 GLY 147 14.989 -9.017 -14.124 1105 H PHE 148 H PHE 148 16.950 -7.858 -11.656 1106 HA PHE 148 HA PHE 148 19.420 -8.367 -13.088 1107 1HB PHE 148 HB2 PHE 148 18.711 -6.982 -10.477 1108 2HB PHE 148 HB3 PHE 148 20.344 -7.068 -11.132 1109 HD1 PHE 148 HD1 PHE 148 20.596 -6.258 -13.655 1110 HD2 PHE 148 HD2 PHE 148 17.375 -5.086 -11.024 1111 HE1 PHE 148 HE1 PHE 148 20.207 -4.223 -15.025 1112 HE2 PHE 148 HE2 PHE 148 17.089 -3.004 -12.320 1113 HZ PHE 148 HZ PHE 148 18.470 -2.576 -14.345 1114 H ALA 149 H ALA 149 21.192 -9.433 -12.172 1115 HA ALA 149 HA ALA 149 20.546 -11.871 -10.665 1116 1HB ALA 149 HB1 ALA 149 23.179 -10.786 -11.786 1117 2HB ALA 149 HB2 ALA 149 22.967 -12.372 -11.017 1118 3HB ALA 149 HB3 ALA 149 22.136 -12.008 -12.542 1119 H GLN 150 H GLN 150 21.359 -12.356 -8.659 1120 HA GLN 150 HA GLN 150 21.959 -10.074 -6.907 1121 1HB GLN 150 HB2 GLN 150 20.154 -11.932 -6.551 1122 2HB GLN 150 HB3 GLN 150 21.493 -12.952 -6.038 1123 1HG GLN 150 HG2 GLN 150 20.813 -10.223 -4.849 1124 2HG GLN 150 HG3 GLN 150 20.180 -11.745 -4.229 1125 1HE2 GLN 150 HE22 GLN 150 22.968 -9.632 -4.354 1126 2HE2 GLN 150 HE21 GLN 150 24.085 -10.715 -3.544 1127 H LEU 151 H LEU 151 24.017 -9.626 -6.427 1128 HA LEU 151 HA LEU 151 26.312 -10.938 -7.401 1129 1HB LEU 151 HB2 LEU 151 26.169 -8.544 -6.673 1130 2HB LEU 151 HB3 LEU 151 25.895 -9.072 -5.021 1131 HG LEU 151 HG LEU 151 28.207 -10.133 -5.053 1132 1HD1 LEU 151 HD11 LEU 151 28.505 -8.569 -7.658 1133 2HD1 LEU 151 HD12 LEU 151 29.789 -9.428 -6.782 1134 3HD1 LEU 151 HD13 LEU 151 28.464 -10.336 -7.515 1135 1HD2 LEU 151 HD21 LEU 151 27.769 -7.954 -4.052 1136 2HD2 LEU 151 HD22 LEU 151 29.331 -7.894 -4.893 1137 3HD2 LEU 151 HD23 LEU 151 27.887 -7.148 -5.619 1138 H ALA 152 H ALA 152 27.272 -12.772 -6.713 1139 HA ALA 152 HA ALA 152 27.136 -13.516 -3.835 1140 1HB ALA 152 HB1 ALA 152 26.328 -15.779 -4.379 1141 2HB ALA 152 HB2 ALA 152 25.155 -14.550 -4.884 1142 3HB ALA 152 HB3 ALA 152 26.199 -15.332 -6.098 1143 H VAL 153 H VAL 153 28.594 -14.216 -7.030 1144 HA VAL 153 HA VAL 153 30.987 -15.248 -5.720 1145 HB VAL 153 HB VAL 153 29.485 -17.118 -7.604 1146 1HG1 VAL 153 HG11 VAL 153 31.884 -17.610 -5.784 1147 2HG1 VAL 153 HG12 VAL 153 31.116 -18.804 -6.854 1148 3HG1 VAL 153 HG13 VAL 153 31.946 -17.412 -7.546 1149 1HG2 VAL 153 HG21 VAL 153 28.157 -17.128 -5.563 1150 2HG2 VAL 153 HG22 VAL 153 29.058 -18.629 -5.698 1151 3HG2 VAL 153 HG23 VAL 153 29.621 -17.376 -4.575 1152 H GLU 154 H GLU 154 29.181 -14.945 -8.742 1153 HA GLU 154 HA GLU 154 29.665 -14.383 -10.812 1154 1HB GLU 154 HB2 GLU 154 31.869 -12.567 -9.798 1155 2HB GLU 154 HB3 GLU 154 30.788 -12.347 -11.171 1156 1HG GLU 154 HG2 GLU 154 30.210 -12.032 -8.218 1157 2HG GLU 154 HG3 GLU 154 30.021 -10.846 -9.497 1158 H GLU 155 H GLU 155 30.971 -16.726 -9.907 1159 HA GLU 155 HA GLU 155 32.871 -17.096 -12.093 1160 1HB GLU 155 HB2 GLU 155 33.558 -17.839 -9.205 1161 2HB GLU 155 HB3 GLU 155 34.403 -18.430 -10.634 1162 1HG GLU 155 HG2 GLU 155 35.003 -16.074 -11.229 1163 2HG GLU 155 HG3 GLU 155 34.283 -15.534 -9.709 1164 H GLU 156 H GLU 156 33.140 -19.519 -12.424 1165 HA GLU 156 HA GLU 156 31.032 -21.235 -11.315 1166 1HB GLU 156 HB2 GLU 156 31.367 -20.634 -14.295 1167 2HB GLU 156 HB3 GLU 156 30.475 -22.008 -13.640 1168 1HG GLU 156 HG2 GLU 156 28.934 -20.439 -12.464 1169 2HG GLU 156 HG3 GLU 156 29.777 -19.075 -13.205 Start of MODEL 14 1 1H MET 1 H1 MET 1 0.393 2.215 0.247 2 2H MET 1 H2 MET 1 -0.118 1.955 -1.284 3 3H MET 1 H3 MET 1 -0.364 0.813 -0.131 4 HA MET 1 HA MET 1 1.998 0.455 0.099 5 1HB MET 1 HB2 MET 1 0.747 -0.980 -1.431 6 2HB MET 1 HB3 MET 1 0.964 0.166 -2.758 7 1HG MET 1 HG2 MET 1 3.355 -0.240 -2.802 8 2HG MET 1 HG3 MET 1 3.275 -1.167 -1.303 9 1HE MET 1 HE1 MET 1 4.810 -2.268 -3.797 10 2HE MET 1 HE2 MET 1 4.627 -3.139 -2.257 11 3HE MET 1 HE3 MET 1 4.268 -3.960 -3.794 12 H THR 2 H THR 2 3.538 1.964 0.503 13 HA THR 2 HA THR 2 4.121 4.050 -1.559 14 HB THR 2 HB THR 2 4.757 4.051 1.423 15 HG1 THR 2 HG1 THR 2 2.547 4.236 1.115 16 1HG2 THR 2 HG21 THR 2 5.215 6.451 1.056 17 2HG2 THR 2 HG22 THR 2 6.280 5.455 0.054 18 3HG2 THR 2 HG23 THR 2 4.880 6.262 -0.683 19 H ASP 3 H ASP 3 5.533 2.903 -2.860 20 HA ASP 3 HA ASP 3 7.796 1.411 -1.661 21 1HB ASP 3 HB2 ASP 3 7.132 2.106 -4.551 22 2HB ASP 3 HB3 ASP 3 8.544 1.201 -4.007 23 H VAL 4 H VAL 4 9.982 2.287 -1.845 24 HA VAL 4 HA VAL 4 10.162 5.187 -2.517 25 HB VAL 4 HB VAL 4 11.097 3.855 0.058 26 1HG1 VAL 4 HG11 VAL 4 11.733 6.127 0.792 27 2HG1 VAL 4 HG12 VAL 4 12.676 5.636 -0.608 28 3HG1 VAL 4 HG13 VAL 4 11.322 6.772 -0.811 29 1HG2 VAL 4 HG21 VAL 4 8.849 5.832 -0.521 30 2HG2 VAL 4 HG22 VAL 4 8.706 4.229 0.205 31 3HG2 VAL 4 HG23 VAL 4 9.474 5.540 1.102 32 H LEU 5 H LEU 5 12.206 5.878 -3.155 33 HA LEU 5 HA LEU 5 14.213 3.774 -3.813 34 1HB LEU 5 HB2 LEU 5 13.137 4.394 -5.877 35 2HB LEU 5 HB3 LEU 5 13.155 6.107 -5.444 36 HG LEU 5 HG LEU 5 15.659 6.109 -5.614 37 1HD1 LEU 5 HD11 LEU 5 15.281 3.278 -6.687 38 2HD1 LEU 5 HD12 LEU 5 16.780 4.231 -6.749 39 3HD1 LEU 5 HD13 LEU 5 16.132 3.722 -5.190 40 1HD2 LEU 5 HD21 LEU 5 15.712 6.001 -8.073 41 2HD2 LEU 5 HD22 LEU 5 14.147 5.151 -8.069 42 3HD2 LEU 5 HD23 LEU 5 14.261 6.827 -7.490 43 H LEU 6 H LEU 6 16.034 4.232 -2.657 44 HA LEU 6 HA LEU 6 16.563 7.021 -1.739 45 1HB LEU 6 HB2 LEU 6 16.224 5.552 0.122 46 2HB LEU 6 HB3 LEU 6 17.261 4.311 -0.592 47 HG LEU 6 HG LEU 6 19.245 5.779 -0.276 48 1HD1 LEU 6 HD11 LEU 6 19.058 7.797 1.143 49 2HD1 LEU 6 HD12 LEU 6 18.213 7.991 -0.395 50 3HD1 LEU 6 HD13 LEU 6 17.288 7.659 1.088 51 1HD2 LEU 6 HD21 LEU 6 17.589 5.285 2.218 52 2HD2 LEU 6 HD22 LEU 6 18.671 4.136 1.423 53 3HD2 LEU 6 HD23 LEU 6 19.342 5.586 2.179 54 H CYS 7 H CYS 7 17.683 7.805 -3.443 55 HA CYS 7 HA CYS 7 19.924 6.373 -4.667 56 1HB CYS 7 HB2 CYS 7 18.850 9.225 -4.709 57 2HB CYS 7 HB3 CYS 7 20.290 8.723 -5.588 58 HG CYS 7 HG CYS 7 18.337 8.748 -7.294 59 H VAL 8 H VAL 8 22.093 6.587 -4.084 60 HA VAL 8 HA VAL 8 22.869 8.458 -1.916 61 HB VAL 8 HB VAL 8 23.535 5.481 -2.107 62 1HG1 VAL 8 HG11 VAL 8 25.413 6.744 -1.161 63 2HG1 VAL 8 HG12 VAL 8 24.317 7.520 0.003 64 3HG1 VAL 8 HG13 VAL 8 24.634 5.769 0.078 65 1HG2 VAL 8 HG21 VAL 8 21.682 6.928 -0.202 66 2HG2 VAL 8 HG22 VAL 8 21.301 5.601 -1.319 67 3HG2 VAL 8 HG23 VAL 8 22.319 5.289 0.083 68 H GLY 9 H GLY 9 24.955 9.309 -2.267 69 1HA GLY 9 HA2 GLY 9 27.198 8.522 -3.386 70 2HA GLY 9 HA3 GLY 9 26.238 8.686 -4.860 71 H ASN 10 H ASN 10 28.393 10.227 -4.853 72 HA ASN 10 HA ASN 10 27.339 12.994 -4.370 73 1HB ASN 10 HB2 ASN 10 29.088 12.537 -2.792 74 2HB ASN 10 HB3 ASN 10 30.141 11.881 -4.023 75 1HD2 ASN 10 HD22 ASN 10 29.976 14.417 -2.073 76 2HD2 ASN 10 HD21 ASN 10 30.623 15.674 -3.104 77 H SER 11 H SER 11 27.050 14.083 -6.177 78 HA SER 11 HA SER 11 27.176 13.006 -8.662 79 1HB SER 11 HB2 SER 11 27.239 15.984 -8.123 80 2HB SER 11 HB3 SER 11 26.328 15.108 -9.365 81 HG SER 11 HG SER 11 25.020 15.772 -7.589 82 H MET 12 H MET 12 29.957 14.425 -7.098 83 HA MET 12 HA MET 12 31.336 14.559 -9.730 84 1HB MET 12 HB2 MET 12 32.489 16.550 -9.149 85 2HB MET 12 HB3 MET 12 30.763 16.847 -8.983 86 1HG MET 12 HG2 MET 12 30.963 16.588 -6.514 87 2HG MET 12 HG3 MET 12 32.687 16.247 -6.691 88 1HE MET 12 HE1 MET 12 30.348 19.056 -8.424 89 2HE MET 12 HE2 MET 12 29.851 18.908 -6.720 90 3HE MET 12 HE3 MET 12 30.668 20.380 -7.288 91 H MET 13 H MET 13 31.111 12.583 -7.313 92 HA MET 13 HA MET 13 33.975 12.443 -6.605 93 1HB MET 13 HB2 MET 13 32.305 12.383 -4.840 94 2HB MET 13 HB3 MET 13 31.531 10.989 -5.571 95 1HG MET 13 HG2 MET 13 32.837 10.390 -3.641 96 2HG MET 13 HG3 MET 13 33.544 9.634 -5.057 97 1HE MET 13 HE1 MET 13 35.516 9.123 -3.373 98 2HE MET 13 HE2 MET 13 36.438 10.370 -2.492 99 3HE MET 13 HE3 MET 13 34.719 10.089 -2.111 100 H GLY 14 H GLY 14 32.908 11.994 -9.397 101 1HA GLY 14 HA2 GLY 14 33.615 10.631 -11.098 102 2HA GLY 14 HA3 GLY 14 34.202 9.439 -9.930 103 H ASP 15 H ASP 15 33.205 7.661 -10.720 104 HA ASP 15 HA ASP 15 30.527 7.416 -11.655 105 1HB ASP 15 HB2 ASP 15 32.481 5.403 -10.504 106 2HB ASP 15 HB3 ASP 15 30.934 4.963 -11.199 107 H ASP 16 H ASP 16 31.746 7.755 -8.463 108 HA ASP 16 HA ASP 16 29.869 6.417 -6.853 109 1HB ASP 16 HB2 ASP 16 31.981 7.505 -6.131 110 2HB ASP 16 HB3 ASP 16 31.252 9.078 -6.463 111 H GLY 17 H GLY 17 29.416 9.239 -8.911 112 1HA GLY 17 HA2 GLY 17 27.161 10.373 -7.537 113 2HA GLY 17 HA3 GLY 17 27.654 10.672 -9.208 114 H ALA 18 H ALA 18 26.946 7.323 -8.241 115 HA ALA 18 HA ALA 18 25.266 7.019 -10.515 116 1HB ALA 18 HB1 ALA 18 24.840 4.761 -9.575 117 2HB ALA 18 HB2 ALA 18 26.567 5.172 -9.608 118 3HB ALA 18 HB3 ALA 18 25.660 5.249 -8.079 119 H GLY 19 H GLY 19 24.455 7.085 -7.001 120 1HA GLY 19 HA2 GLY 19 21.639 6.937 -7.301 121 2HA GLY 19 HA3 GLY 19 22.512 7.626 -5.926 122 HA PRO 20 HA PRO 20 21.675 11.801 -7.031 123 1HB PRO 20 HB2 PRO 20 24.416 12.210 -8.260 124 2HB PRO 20 HB3 PRO 20 23.468 13.325 -7.220 125 1HG PRO 20 HG2 PRO 20 25.416 11.765 -6.150 126 2HG PRO 20 HG3 PRO 20 23.866 11.987 -5.283 127 1HD PRO 20 HD2 PRO 20 24.822 9.611 -6.832 128 2HD PRO 20 HD3 PRO 20 23.762 9.694 -5.402 129 H LEU 21 H LEU 21 23.372 10.219 -9.888 130 HA LEU 21 HA LEU 21 22.020 11.971 -11.741 131 1HB LEU 21 HB2 LEU 21 24.140 10.857 -12.285 132 2HB LEU 21 HB3 LEU 21 23.384 9.277 -12.104 133 HG LEU 21 HG LEU 21 21.876 9.779 -14.039 134 1HD1 LEU 21 HD11 LEU 21 21.720 12.210 -13.952 135 2HD1 LEU 21 HD12 LEU 21 23.476 12.373 -14.181 136 3HD1 LEU 21 HD13 LEU 21 22.452 11.761 -15.495 137 1HD2 LEU 21 HD21 LEU 21 24.827 10.176 -14.643 138 2HD2 LEU 21 HD22 LEU 21 24.012 8.619 -14.395 139 3HD2 LEU 21 HD23 LEU 21 23.585 9.622 -15.790 140 H LEU 22 H LEU 22 21.355 8.718 -10.370 141 HA LEU 22 HA LEU 22 19.073 8.157 -11.979 142 1HB LEU 22 HB2 LEU 22 20.251 6.446 -10.619 143 2HB LEU 22 HB3 LEU 22 19.783 7.271 -9.146 144 HG LEU 22 HG LEU 22 17.423 6.849 -9.571 145 1HD1 LEU 22 HD11 LEU 22 17.302 6.796 -12.023 146 2HD1 LEU 22 HD12 LEU 22 18.410 5.404 -12.094 147 3HD1 LEU 22 HD13 LEU 22 16.778 5.232 -11.417 148 1HD2 LEU 22 HD21 LEU 22 17.455 4.414 -9.225 149 2HD2 LEU 22 HD22 LEU 22 19.114 4.334 -9.856 150 3HD2 LEU 22 HD23 LEU 22 18.773 5.190 -8.335 151 H ALA 23 H ALA 23 19.408 9.744 -8.781 152 HA ALA 23 HA ALA 23 16.666 10.246 -8.290 153 1HB ALA 23 HB1 ALA 23 19.101 11.907 -7.463 154 2HB ALA 23 HB2 ALA 23 17.469 12.055 -6.787 155 3HB ALA 23 HB3 ALA 23 18.388 10.572 -6.535 156 H GLU 24 H GLU 24 19.074 12.225 -10.118 157 HA GLU 24 HA GLU 24 17.333 14.432 -10.577 158 1HB GLU 24 HB2 GLU 24 19.694 14.658 -10.926 159 2HB GLU 24 HB3 GLU 24 19.735 13.336 -12.097 160 1HG GLU 24 HG2 GLU 24 18.474 14.601 -13.719 161 2HG GLU 24 HG3 GLU 24 18.161 15.895 -12.553 162 H LYS 25 H LYS 25 17.995 11.511 -12.511 163 HA LYS 25 HA LYS 25 16.229 12.167 -14.661 164 1HB LYS 25 HB2 LYS 25 17.418 9.581 -13.601 165 2HB LYS 25 HB3 LYS 25 16.392 9.637 -15.050 166 1HG LYS 25 HG2 LYS 25 17.924 11.079 -16.208 167 2HG LYS 25 HG3 LYS 25 18.949 11.250 -14.771 168 1HD LYS 25 HD2 LYS 25 19.460 8.855 -14.790 169 2HD LYS 25 HD3 LYS 25 18.404 8.590 -16.182 170 1HE LYS 25 HE2 LYS 25 20.815 10.462 -16.215 171 2HE LYS 25 HE3 LYS 25 20.907 8.753 -16.665 172 1HZ LYS 25 HZ1 LYS 25 20.607 10.164 -18.602 173 2HZ LYS 25 HZ2 LYS 25 19.346 9.138 -18.429 174 3HZ LYS 25 HZ3 LYS 25 19.183 10.731 -18.039 175 H CYS 26 H CYS 26 15.663 10.037 -11.769 176 HA CYS 26 HA CYS 26 12.930 9.518 -12.440 177 1HB CYS 26 HB2 CYS 26 14.380 9.441 -9.761 178 2HB CYS 26 HB3 CYS 26 12.739 8.826 -10.065 179 HG CYS 26 HG CYS 26 14.436 6.828 -9.975 180 H ALA 27 H ALA 27 14.422 12.238 -10.542 181 HA ALA 27 HA ALA 27 11.934 13.309 -9.705 182 1HB ALA 27 HB1 ALA 27 13.186 15.414 -9.385 183 2HB ALA 27 HB2 ALA 27 14.060 14.024 -8.720 184 3HB ALA 27 HB3 ALA 27 14.565 14.738 -10.271 185 H ALA 28 H ALA 28 13.865 13.802 -12.707 186 HA ALA 28 HA ALA 28 12.173 15.806 -13.806 187 1HB ALA 28 HB1 ALA 28 13.394 15.350 -15.893 188 2HB ALA 28 HB2 ALA 28 14.510 15.443 -14.517 189 3HB ALA 28 HB3 ALA 28 14.064 13.861 -15.199 190 H ALA 29 H ALA 29 12.093 12.272 -13.909 191 HA ALA 29 HA ALA 29 9.442 12.255 -15.226 192 1HB ALA 29 HB1 ALA 29 10.985 12.165 -17.092 193 2HB ALA 29 HB2 ALA 29 11.949 10.910 -16.288 194 3HB ALA 29 HB3 ALA 29 10.295 10.548 -16.839 195 HA PRO 30 HA PRO 30 9.740 9.519 -11.516 196 1HB PRO 30 HB2 PRO 30 6.763 9.745 -11.982 197 2HB PRO 30 HB3 PRO 30 7.662 9.707 -10.429 198 1HG PRO 30 HG2 PRO 30 6.800 12.069 -11.432 199 2HG PRO 30 HG3 PRO 30 8.459 11.941 -10.756 200 1HD PRO 30 HD2 PRO 30 7.605 11.887 -13.659 201 2HD PRO 30 HD3 PRO 30 8.986 12.734 -12.895 202 H LYS 31 H LYS 31 9.170 7.315 -11.119 203 HA LYS 31 HA LYS 31 8.285 5.723 -13.480 204 1HB LYS 31 HB2 LYS 31 10.689 5.183 -11.661 205 2HB LYS 31 HB3 LYS 31 10.120 4.104 -12.921 206 1HG LYS 31 HG2 LYS 31 11.187 6.926 -13.415 207 2HG LYS 31 HG3 LYS 31 12.139 5.459 -13.540 208 1HD LYS 31 HD2 LYS 31 10.786 4.623 -15.372 209 2HD LYS 31 HD3 LYS 31 9.632 5.970 -15.207 210 1HE LYS 31 HE2 LYS 31 11.494 7.566 -15.684 211 2HE LYS 31 HE3 LYS 31 12.568 6.188 -15.975 212 1HZ LYS 31 HZ1 LYS 31 11.115 5.539 -17.816 213 2HZ LYS 31 HZ2 LYS 31 10.110 6.799 -17.529 214 3HZ LYS 31 HZ3 LYS 31 11.635 7.072 -18.030 215 H GLY 32 H GLY 32 7.471 3.672 -12.957 216 1HA GLY 32 HA2 GLY 32 6.086 2.252 -11.806 217 2HA GLY 32 HA3 GLY 32 7.468 2.189 -10.717 218 H ASN 33 H ASN 33 7.130 2.752 -8.660 219 HA ASN 33 HA ASN 33 4.785 4.417 -7.863 220 1HB ASN 33 HB2 ASN 33 4.199 1.980 -7.871 221 2HB ASN 33 HB3 ASN 33 5.565 1.666 -6.804 222 1HD2 ASN 33 HD22 ASN 33 4.653 1.076 -4.867 223 2HD2 ASN 33 HD21 ASN 33 3.396 2.013 -4.033 224 H TRP 34 H TRP 34 7.987 4.492 -7.871 225 HA TRP 34 HA TRP 34 8.604 4.304 -5.037 226 1HB TRP 34 HB2 TRP 34 10.596 5.323 -7.039 227 2HB TRP 34 HB3 TRP 34 10.812 4.269 -5.651 228 HD1 TRP 34 HD1 TRP 34 9.946 4.300 -9.324 229 HE1 TRP 34 HE1 TRP 34 9.779 1.926 -10.286 230 HE3 TRP 34 HE3 TRP 34 10.655 1.633 -5.008 231 HZ2 TRP 34 HZ2 TRP 34 9.772 -0.736 -9.297 232 HZ3 TRP 34 HZ3 TRP 34 10.576 -0.848 -5.054 233 HH2 TRP 34 HH2 TRP 34 10.114 -2.051 -7.181 234 H VAL 35 H VAL 35 8.436 6.010 -3.643 235 HA VAL 35 HA VAL 35 8.363 8.786 -4.554 236 HB VAL 35 HB VAL 35 8.911 7.654 -1.772 237 1HG1 VAL 35 HG11 VAL 35 9.624 9.998 -1.983 238 2HG1 VAL 35 HG12 VAL 35 8.044 10.438 -2.671 239 3HG1 VAL 35 HG13 VAL 35 8.170 9.890 -0.987 240 1HG2 VAL 35 HG21 VAL 35 6.275 8.563 -3.016 241 2HG2 VAL 35 HG22 VAL 35 6.689 6.906 -2.528 242 3HG2 VAL 35 HG23 VAL 35 6.521 8.164 -1.302 243 H VAL 36 H VAL 36 10.198 9.826 -5.275 244 HA VAL 36 HA VAL 36 12.783 8.517 -5.096 245 HB VAL 36 HB VAL 36 12.105 11.324 -6.087 246 1HG1 VAL 36 HG11 VAL 36 14.464 9.476 -6.702 247 2HG1 VAL 36 HG12 VAL 36 14.161 11.063 -7.448 248 3HG1 VAL 36 HG13 VAL 36 14.528 10.959 -5.725 249 1HG2 VAL 36 HG21 VAL 36 12.196 8.707 -7.654 250 2HG2 VAL 36 HG22 VAL 36 10.753 9.698 -7.360 251 3HG2 VAL 36 HG23 VAL 36 12.051 10.340 -8.356 252 H ILE 37 H ILE 37 14.315 8.842 -3.563 253 HA ILE 37 HA ILE 37 14.358 11.294 -1.916 254 HB ILE 37 HB ILE 37 14.630 8.393 -0.990 255 1HG1 ILE 37 HG12 ILE 37 12.282 9.233 -1.078 256 2HG1 ILE 37 HG13 ILE 37 12.829 8.752 0.514 257 1HG2 ILE 37 HG21 ILE 37 15.281 10.922 0.557 258 2HG2 ILE 37 HG22 ILE 37 15.116 9.312 1.283 259 3HG2 ILE 37 HG23 ILE 37 16.395 9.624 0.114 260 1HD1 ILE 37 HD11 ILE 37 13.023 11.060 1.252 261 2HD1 ILE 37 HD12 ILE 37 12.697 11.659 -0.396 262 3HD1 ILE 37 HD13 ILE 37 11.437 10.826 0.523 263 H ASP 38 H ASP 38 16.518 11.880 -1.441 264 HA ASP 38 HA ASP 38 18.714 10.361 -2.742 265 1HB ASP 38 HB2 ASP 38 18.241 11.998 -4.404 266 2HB ASP 38 HB3 ASP 38 18.062 13.280 -3.201 267 H GLY 39 H GLY 39 19.962 9.871 -1.057 268 1HA GLY 39 HA2 GLY 39 20.003 11.510 1.398 269 2HA GLY 39 HA3 GLY 39 20.762 9.934 1.117 270 H GLY 40 H GLY 40 21.659 11.672 -1.573 271 1HA GLY 40 HA2 GLY 40 23.705 12.460 -2.220 272 2HA GLY 40 HA3 GLY 40 23.825 13.286 -0.652 273 H SER 41 H SER 41 26.026 12.698 -0.337 274 HA SER 41 HA SER 41 26.739 9.864 -0.266 275 1HB SER 41 HB2 SER 41 29.040 10.955 0.261 276 2HB SER 41 HB3 SER 41 28.316 11.095 -1.339 277 HG SER 41 HG SER 41 28.494 13.078 0.676 278 H ALA 42 H ALA 42 24.936 11.443 1.835 279 HA ALA 42 HA ALA 42 26.171 10.265 4.255 280 1HB ALA 42 HB1 ALA 42 26.900 12.624 4.208 281 2HB ALA 42 HB2 ALA 42 25.212 13.153 4.010 282 3HB ALA 42 HB3 ALA 42 25.726 12.350 5.507 283 HA PRO 43 HA PRO 43 21.582 9.868 3.212 284 1HB PRO 43 HB2 PRO 43 21.248 7.170 3.044 285 2HB PRO 43 HB3 PRO 43 21.969 8.125 1.718 286 1HG PRO 43 HG2 PRO 43 23.469 6.636 3.908 287 2HG PRO 43 HG3 PRO 43 23.680 6.474 2.140 288 1HD PRO 43 HD2 PRO 43 25.262 8.139 3.575 289 2HD PRO 43 HD3 PRO 43 24.639 8.652 1.977 290 H GLU 44 H GLU 44 23.530 8.496 5.822 291 HA GLU 44 HA GLU 44 21.413 7.420 7.365 292 1HB GLU 44 HB2 GLU 44 22.921 7.310 9.143 293 2HB GLU 44 HB3 GLU 44 23.810 6.932 7.674 294 1HG GLU 44 HG2 GLU 44 23.887 9.555 9.218 295 2HG GLU 44 HG3 GLU 44 25.091 8.278 9.301 296 H ASN 45 H ASN 45 22.546 10.691 6.941 297 HA ASN 45 HA ASN 45 21.219 11.896 9.140 298 1HB ASN 45 HB2 ASN 45 22.011 13.821 8.322 299 2HB ASN 45 HB3 ASN 45 22.914 12.814 7.202 300 1HD2 ASN 45 HD22 ASN 45 22.107 12.634 4.955 301 2HD2 ASN 45 HD21 ASN 45 21.008 13.846 4.330 302 H ASP 46 H ASP 46 19.975 10.639 6.135 303 HA ASP 46 HA ASP 46 17.519 12.258 6.302 304 1HB ASP 46 HB2 ASP 46 19.065 11.972 4.213 305 2HB ASP 46 HB3 ASP 46 18.264 10.408 4.035 306 H ILE 47 H ILE 47 18.462 9.214 7.375 307 HA ILE 47 HA ILE 47 16.386 7.451 6.807 308 HB ILE 47 HB ILE 47 17.894 7.976 9.393 309 1HG1 ILE 47 HG12 ILE 47 18.257 5.768 7.311 310 2HG1 ILE 47 HG13 ILE 47 19.192 7.256 7.336 311 1HG2 ILE 47 HG21 ILE 47 17.206 5.722 10.165 312 2HG2 ILE 47 HG22 ILE 47 15.813 6.762 9.960 313 3HG2 ILE 47 HG23 ILE 47 16.182 5.541 8.725 314 1HD1 ILE 47 HD11 ILE 47 19.934 6.672 9.699 315 2HD1 ILE 47 HD12 ILE 47 19.221 5.059 9.434 316 3HD1 ILE 47 HD13 ILE 47 20.549 5.626 8.415 317 H VAL 48 H VAL 48 16.329 10.216 9.088 318 HA VAL 48 HA VAL 48 13.860 9.711 10.328 319 HB VAL 48 HB VAL 48 15.157 12.380 9.619 320 1HG1 VAL 48 HG11 VAL 48 13.116 11.702 11.786 321 2HG1 VAL 48 HG12 VAL 48 13.949 13.262 11.600 322 3HG1 VAL 48 HG13 VAL 48 12.832 12.712 10.350 323 1HG2 VAL 48 HG21 VAL 48 15.477 10.617 12.093 324 2HG2 VAL 48 HG22 VAL 48 16.735 10.989 10.894 325 3HG2 VAL 48 HG23 VAL 48 16.106 12.269 11.927 326 H ALA 49 H ALA 49 14.548 11.210 7.133 327 HA ALA 49 HA ALA 49 11.865 12.147 6.729 328 1HB ALA 49 HB1 ALA 49 14.060 11.545 4.694 329 2HB ALA 49 HB2 ALA 49 12.597 12.497 4.402 330 3HB ALA 49 HB3 ALA 49 13.835 13.099 5.530 331 H ILE 50 H ILE 50 13.701 9.223 5.845 332 HA ILE 50 HA ILE 50 11.632 8.055 4.245 333 HB ILE 50 HB ILE 50 13.832 6.577 5.751 334 1HG1 ILE 50 HG12 ILE 50 14.007 7.742 2.929 335 2HG1 ILE 50 HG13 ILE 50 14.755 8.489 4.336 336 1HG2 ILE 50 HG21 ILE 50 13.540 4.960 3.811 337 2HG2 ILE 50 HG22 ILE 50 12.099 5.127 4.806 338 3HG2 ILE 50 HG23 ILE 50 12.200 5.958 3.239 339 1HD1 ILE 50 HD11 ILE 50 15.493 5.803 3.166 340 2HD1 ILE 50 HD12 ILE 50 16.457 7.288 3.246 341 3HD1 ILE 50 HD13 ILE 50 16.085 6.412 4.734 342 H ARG 51 H ARG 51 12.392 7.918 7.745 343 HA ARG 51 HA ARG 51 10.384 6.005 8.432 344 1HB ARG 51 HB2 ARG 51 11.717 8.219 10.038 345 2HB ARG 51 HB3 ARG 51 10.553 7.093 10.732 346 1HG ARG 51 HG2 ARG 51 11.971 5.178 10.204 347 2HG ARG 51 HG3 ARG 51 13.152 6.227 9.396 348 1HD ARG 51 HD2 ARG 51 13.541 7.446 11.501 349 2HD ARG 51 HD3 ARG 51 12.347 6.428 12.329 350 HE ARG 51 HE ARG 51 14.161 4.629 11.270 351 1HH1 ARG 51 HH21 ARG 51 14.360 7.369 13.522 352 2HH1 ARG 51 HH22 ARG 51 15.715 6.746 14.385 353 1HH2 ARG 51 HH11 ARG 51 15.951 3.779 12.435 354 2HH2 ARG 51 HH12 ARG 51 16.627 4.659 13.763 355 H GLU 52 H GLU 52 9.985 9.415 7.493 356 HA GLU 52 HA GLU 52 7.322 9.594 8.663 357 1HB GLU 52 HB2 GLU 52 8.496 11.115 6.293 358 2HB GLU 52 HB3 GLU 52 6.982 11.473 7.094 359 1HG GLU 52 HG2 GLU 52 9.720 11.642 8.405 360 2HG GLU 52 HG3 GLU 52 8.809 12.990 7.752 361 H LEU 53 H LEU 53 8.724 8.519 5.539 362 HA LEU 53 HA LEU 53 6.206 8.168 4.229 363 1HB LEU 53 HB2 LEU 53 8.871 6.843 3.588 364 2HB LEU 53 HB3 LEU 53 7.476 6.967 2.526 365 HG LEU 53 HG LEU 53 9.229 9.263 3.493 366 1HD1 LEU 53 HD11 LEU 53 8.789 8.025 0.747 367 2HD1 LEU 53 HD12 LEU 53 9.782 9.452 1.091 368 3HD1 LEU 53 HD13 LEU 53 10.247 7.881 1.759 369 1HD2 LEU 53 HD21 LEU 53 7.900 10.698 1.949 370 2HD2 LEU 53 HD22 LEU 53 6.741 9.365 1.732 371 3HD2 LEU 53 HD23 LEU 53 6.959 10.132 3.325 372 H ARG 54 H ARG 54 8.084 6.133 6.363 373 HA ARG 54 HA ARG 54 8.029 3.939 6.958 374 1HB ARG 54 HB2 ARG 54 5.023 4.380 6.943 375 2HB ARG 54 HB3 ARG 54 5.888 3.045 7.713 376 1HG ARG 54 HG2 ARG 54 7.151 4.791 9.093 377 2HG ARG 54 HG3 ARG 54 6.045 6.001 8.420 378 1HD ARG 54 HD2 ARG 54 5.202 5.360 10.567 379 2HD ARG 54 HD3 ARG 54 4.118 4.690 9.333 380 HE ARG 54 HE ARG 54 6.227 2.842 10.110 381 1HH1 ARG 54 HH21 ARG 54 3.037 4.071 11.124 382 2HH1 ARG 54 HH22 ARG 54 2.628 2.665 12.035 383 1HH2 ARG 54 HH11 ARG 54 5.705 1.003 11.324 384 2HH2 ARG 54 HH12 ARG 54 4.179 0.866 12.152 385 HA PRO 55 HA PRO 55 7.417 3.076 2.433 386 1HB PRO 55 HB2 PRO 55 9.879 1.401 2.867 387 2HB PRO 55 HB3 PRO 55 9.499 2.526 1.539 388 1HG PRO 55 HG2 PRO 55 11.234 3.197 3.532 389 2HG PRO 55 HG3 PRO 55 10.121 4.403 2.833 390 1HD PRO 55 HD2 PRO 55 9.865 2.933 5.434 391 2HD PRO 55 HD3 PRO 55 9.456 4.614 5.022 392 H THR 56 H THR 56 6.239 1.365 1.559 393 HA THR 56 HA THR 56 5.792 -1.060 3.103 394 HB THR 56 HB THR 56 5.214 -0.649 0.149 395 HG1 THR 56 HG1 THR 56 3.756 0.303 2.388 396 1HG2 THR 56 HG21 THR 56 3.216 -2.070 0.714 397 2HG2 THR 56 HG22 THR 56 4.757 -2.901 0.990 398 3HG2 THR 56 HG23 THR 56 3.841 -2.243 2.363 399 H ARG 57 H ARG 57 7.864 0.015 0.421 400 HA ARG 57 HA ARG 57 9.732 -2.146 1.011 401 1HB ARG 57 HB2 ARG 57 8.903 -1.588 -1.864 402 2HB ARG 57 HB3 ARG 57 10.151 -2.705 -1.331 403 1HG ARG 57 HG2 ARG 57 8.478 -4.117 -0.221 404 2HG ARG 57 HG3 ARG 57 7.175 -3.040 -0.757 405 1HD ARG 57 HD2 ARG 57 9.064 -4.546 -2.606 406 2HD ARG 57 HD3 ARG 57 7.403 -5.032 -2.214 407 HE ARG 57 HE ARG 57 7.236 -2.383 -3.120 408 1HH1 ARG 57 HH11 ARG 57 8.277 -5.480 -4.492 409 2HH1 ARG 57 HH12 ARG 57 7.920 -5.073 -6.128 410 1HH2 ARG 57 HH21 ARG 57 6.638 -1.819 -5.237 411 2HH2 ARG 57 HH22 ARG 57 6.931 -2.911 -6.558 412 H LEU 58 H LEU 58 11.846 -1.601 0.178 413 HA LEU 58 HA LEU 58 12.200 1.253 -0.658 414 1HB LEU 58 HB2 LEU 58 12.434 1.269 1.747 415 2HB LEU 58 HB3 LEU 58 13.480 -0.153 1.706 416 HG LEU 58 HG LEU 58 15.244 1.152 0.566 417 1HD1 LEU 58 HD11 LEU 58 15.100 3.611 0.478 418 2HD1 LEU 58 HD12 LEU 58 13.907 2.884 -0.585 419 3HD1 LEU 58 HD13 LEU 58 13.401 3.548 0.988 420 1HD2 LEU 58 HD21 LEU 58 15.898 2.505 2.504 421 2HD2 LEU 58 HD22 LEU 58 14.237 2.439 3.136 422 3HD2 LEU 58 HD23 LEU 58 15.214 0.960 3.027 423 H LEU 59 H LEU 59 13.780 1.501 -2.156 424 HA LEU 59 HA LEU 59 15.611 -0.782 -2.754 425 1HB LEU 59 HB2 LEU 59 13.939 -0.716 -4.503 426 2HB LEU 59 HB3 LEU 59 14.044 1.044 -4.610 427 HG LEU 59 HG LEU 59 16.328 0.905 -5.515 428 1HD1 LEU 59 HD11 LEU 59 17.278 -1.262 -6.237 429 2HD1 LEU 59 HD12 LEU 59 17.150 -1.198 -4.483 430 3HD1 LEU 59 HD13 LEU 59 15.955 -2.119 -5.419 431 1HD2 LEU 59 HD21 LEU 59 15.712 -0.001 -7.701 432 2HD2 LEU 59 HD22 LEU 59 14.351 -0.886 -6.978 433 3HD2 LEU 59 HD23 LEU 59 14.348 0.883 -6.985 434 H ILE 60 H ILE 60 17.711 -0.119 -2.701 435 HA ILE 60 HA ILE 60 18.257 2.796 -2.497 436 HB ILE 60 HB ILE 60 19.680 0.438 -1.241 437 1HG1 ILE 60 HG12 ILE 60 17.802 2.327 0.232 438 2HG1 ILE 60 HG13 ILE 60 17.324 0.734 -0.338 439 1HG2 ILE 60 HG21 ILE 60 19.886 3.436 -0.653 440 2HG2 ILE 60 HG22 ILE 60 20.817 2.161 0.158 441 3HG2 ILE 60 HG23 ILE 60 21.090 2.496 -1.545 442 1HD1 ILE 60 HD11 ILE 60 17.885 0.566 1.958 443 2HD1 ILE 60 HD12 ILE 60 19.048 -0.347 0.973 444 3HD1 ILE 60 HD13 ILE 60 19.505 1.228 1.687 445 H VAL 61 H VAL 61 20.059 3.599 -3.723 446 HA VAL 61 HA VAL 61 21.449 1.630 -5.477 447 HB VAL 61 HB VAL 61 20.024 4.115 -6.512 448 1HG1 VAL 61 HG11 VAL 61 20.626 3.034 -8.762 449 2HG1 VAL 61 HG12 VAL 61 21.978 3.704 -7.852 450 3HG1 VAL 61 HG13 VAL 61 21.699 1.954 -7.852 451 1HG2 VAL 61 HG21 VAL 61 19.279 1.179 -6.834 452 2HG2 VAL 61 HG22 VAL 61 18.330 2.432 -6.015 453 3HG2 VAL 61 HG23 VAL 61 18.563 2.511 -7.759 454 H ASP 62 H ASP 62 23.516 2.055 -5.851 455 HA ASP 62 HA ASP 62 24.709 4.654 -6.004 456 1HB ASP 62 HB2 ASP 62 24.643 4.375 -3.551 457 2HB ASP 62 HB3 ASP 62 25.512 2.849 -3.691 458 H ALA 63 H ALA 63 27.220 4.151 -6.363 459 HA ALA 63 HA ALA 63 27.554 1.837 -8.147 460 1HB ALA 63 HB1 ALA 63 29.537 3.915 -7.107 461 2HB ALA 63 HB2 ALA 63 29.870 2.684 -8.345 462 3HB ALA 63 HB3 ALA 63 28.694 3.966 -8.676 463 H THR 64 H THR 64 29.225 0.164 -7.626 464 HA THR 64 HA THR 64 30.258 -0.008 -4.913 465 HB THR 64 HB THR 64 28.485 -2.302 -5.858 466 HG1 THR 64 HG1 THR 64 27.755 0.040 -4.570 467 1HG2 THR 64 HG21 THR 64 30.138 -2.847 -4.129 468 2HG2 THR 64 HG22 THR 64 29.572 -1.491 -3.125 469 3HG2 THR 64 HG23 THR 64 28.508 -2.875 -3.441 470 H ASP 65 H ASP 65 32.287 -0.972 -5.154 471 HA ASP 65 HA ASP 65 33.029 -2.094 -7.750 472 1HB ASP 65 HB2 ASP 65 34.726 -0.880 -6.521 473 2HB ASP 65 HB3 ASP 65 34.546 -1.958 -5.128 474 H MET 66 H MET 66 32.683 -4.079 -8.355 475 HA MET 66 HA MET 66 32.132 -6.232 -6.368 476 1HB MET 66 HB2 MET 66 30.907 -5.596 -9.098 477 2HB MET 66 HB3 MET 66 30.612 -7.095 -8.204 478 1HG MET 66 HG2 MET 66 29.684 -5.869 -6.318 479 2HG MET 66 HG3 MET 66 30.001 -4.327 -7.095 480 1HE MET 66 HE1 MET 66 27.425 -4.004 -9.889 481 2HE MET 66 HE2 MET 66 28.529 -3.162 -8.771 482 3HE MET 66 HE3 MET 66 29.175 -4.338 -9.930 483 H GLY 67 H GLY 67 34.512 -5.143 -8.425 484 1HA GLY 67 HA2 GLY 67 36.242 -6.132 -9.523 485 2HA GLY 67 HA3 GLY 67 35.803 -7.686 -8.786 486 H LEU 68 H LEU 68 33.493 -5.825 -10.709 487 HA LEU 68 HA LEU 68 33.426 -7.962 -12.789 488 1HB LEU 68 HB2 LEU 68 31.377 -5.854 -11.977 489 2HB LEU 68 HB3 LEU 68 31.160 -7.019 -13.279 490 HG LEU 68 HG LEU 68 31.472 -7.737 -10.361 491 1HD1 LEU 68 HD11 LEU 68 29.088 -8.308 -10.455 492 2HD1 LEU 68 HD12 LEU 68 29.326 -6.606 -10.879 493 3HD1 LEU 68 HD13 LEU 68 29.015 -7.800 -12.156 494 1HD2 LEU 68 HD21 LEU 68 30.745 -10.005 -11.064 495 2HD2 LEU 68 HD22 LEU 68 30.848 -9.502 -12.766 496 3HD2 LEU 68 HD23 LEU 68 32.308 -9.570 -11.748 497 H ASN 69 H ASN 69 32.249 -6.618 -14.778 498 HA ASN 69 HA ASN 69 34.404 -4.916 -15.882 499 1HB ASN 69 HB2 ASN 69 33.355 -6.708 -17.269 500 2HB ASN 69 HB3 ASN 69 31.789 -5.911 -17.103 501 1HD2 ASN 69 HD21 ASN 69 35.125 -5.475 -18.404 502 2HD2 ASN 69 HD22 ASN 69 34.665 -4.311 -19.614 503 HA PRO 70 HA PRO 70 32.438 -1.099 -14.564 504 1HB PRO 70 HB2 PRO 70 33.062 -0.241 -17.401 505 2HB PRO 70 HB3 PRO 70 33.177 0.712 -15.888 506 1HG PRO 70 HG2 PRO 70 35.398 -0.442 -16.894 507 2HG PRO 70 HG3 PRO 70 35.057 -0.607 -15.140 508 1HD PRO 70 HD2 PRO 70 34.580 -2.621 -17.338 509 2HD PRO 70 HD3 PRO 70 35.222 -2.879 -15.686 510 H GLY 71 H GLY 71 30.361 -0.449 -14.420 511 1HA GLY 71 HA2 GLY 71 28.230 0.098 -15.063 512 2HA GLY 71 HA3 GLY 71 28.599 -0.334 -16.736 513 H GLU 72 H GLU 72 29.478 -3.049 -14.829 514 HA GLU 72 HA GLU 72 27.058 -4.527 -15.434 515 1HB GLU 72 HB2 GLU 72 29.531 -5.041 -13.727 516 2HB GLU 72 HB3 GLU 72 28.148 -6.117 -13.652 517 1HG GLU 72 HG2 GLU 72 29.585 -5.458 -16.251 518 2HG GLU 72 HG3 GLU 72 29.964 -6.850 -15.239 519 H ILE 73 H ILE 73 25.530 -5.226 -13.911 520 HA ILE 73 HA ILE 73 25.116 -3.408 -11.590 521 HB ILE 73 HB ILE 73 23.067 -4.346 -13.656 522 1HG1 ILE 73 HG12 ILE 73 24.468 -1.647 -13.453 523 2HG1 ILE 73 HG13 ILE 73 24.585 -2.822 -14.766 524 1HG2 ILE 73 HG21 ILE 73 21.606 -2.665 -12.562 525 2HG2 ILE 73 HG22 ILE 73 22.100 -3.920 -11.445 526 3HG2 ILE 73 HG23 ILE 73 22.906 -2.335 -11.387 527 1HD1 ILE 73 HD11 ILE 73 22.179 -1.123 -14.112 528 2HD1 ILE 73 HD12 ILE 73 23.183 -1.137 -15.570 529 3HD1 ILE 73 HD13 ILE 73 22.143 -2.516 -15.229 530 H ARG 74 H ARG 74 24.343 -4.478 -9.735 531 HA ARG 74 HA ARG 74 23.178 -7.185 -10.020 532 1HB ARG 74 HB2 ARG 74 25.563 -6.613 -8.230 533 2HB ARG 74 HB3 ARG 74 24.589 -8.077 -8.207 534 1HG ARG 74 HG2 ARG 74 26.233 -7.181 -10.592 535 2HG ARG 74 HG3 ARG 74 26.771 -8.324 -9.363 536 1HD ARG 74 HD2 ARG 74 24.894 -9.839 -9.914 537 2HD ARG 74 HD3 ARG 74 24.360 -8.740 -11.188 538 HE ARG 74 HE ARG 74 26.668 -10.554 -11.173 539 1HH1 ARG 74 HH21 ARG 74 25.206 -7.742 -12.886 540 2HH1 ARG 74 HH22 ARG 74 26.285 -7.974 -14.270 541 1HH2 ARG 74 HH11 ARG 74 27.971 -10.741 -13.055 542 2HH2 ARG 74 HH12 ARG 74 27.768 -9.558 -14.360 543 H ILE 75 H ILE 75 21.960 -7.787 -8.167 544 HA ILE 75 HA ILE 75 21.228 -5.604 -6.287 545 HB ILE 75 HB ILE 75 20.216 -8.470 -6.607 546 1HG1 ILE 75 HG12 ILE 75 19.493 -7.323 -8.526 547 2HG1 ILE 75 HG13 ILE 75 18.108 -7.370 -7.455 548 1HG2 ILE 75 HG21 ILE 75 18.330 -7.771 -5.150 549 2HG2 ILE 75 HG22 ILE 75 19.876 -7.775 -4.306 550 3HG2 ILE 75 HG23 ILE 75 19.169 -6.238 -4.836 551 1HD1 ILE 75 HD11 ILE 75 18.199 -5.208 -8.482 552 2HD1 ILE 75 HD12 ILE 75 18.589 -5.004 -6.761 553 3HD1 ILE 75 HD13 ILE 75 19.881 -4.963 -7.988 554 H ILE 76 H ILE 76 21.824 -5.724 -4.051 555 HA ILE 76 HA ILE 76 23.696 -7.935 -3.322 556 HB ILE 76 HB ILE 76 24.106 -5.113 -2.349 557 1HG1 ILE 76 HG12 ILE 76 25.425 -6.388 -4.786 558 2HG1 ILE 76 HG13 ILE 76 24.429 -4.932 -4.759 559 1HG2 ILE 76 HG21 ILE 76 25.969 -7.524 -2.495 560 2HG2 ILE 76 HG22 ILE 76 26.277 -5.992 -1.649 561 3HG2 ILE 76 HG23 ILE 76 25.022 -7.075 -1.067 562 1HD1 ILE 76 HD11 ILE 76 26.197 -3.865 -3.241 563 2HD1 ILE 76 HD12 ILE 76 27.232 -5.249 -3.644 564 3HD1 ILE 76 HD13 ILE 76 26.666 -4.176 -4.930 565 H ASP 77 H ASP 77 22.963 -8.996 -1.571 566 HA ASP 77 HA ASP 77 20.651 -8.107 -0.058 567 1HB ASP 77 HB2 ASP 77 21.129 -10.488 -0.518 568 2HB ASP 77 HB3 ASP 77 22.629 -10.377 0.405 569 HA PRO 78 HA PRO 78 22.827 -5.543 2.898 570 1HB PRO 78 HB2 PRO 78 21.029 -6.927 4.894 571 2HB PRO 78 HB3 PRO 78 21.481 -5.193 4.811 572 1HG PRO 78 HG2 PRO 78 19.120 -6.001 3.779 573 2HG PRO 78 HG3 PRO 78 20.148 -4.860 2.851 574 1HD PRO 78 HD2 PRO 78 19.797 -7.821 2.442 575 2HD PRO 78 HD3 PRO 78 19.951 -6.508 1.233 576 H ASP 79 H ASP 79 22.647 -9.030 3.613 577 HA ASP 79 HA ASP 79 24.664 -9.000 5.687 578 1HB ASP 79 HB2 ASP 79 23.065 -10.853 5.396 579 2HB ASP 79 HB3 ASP 79 23.765 -11.222 3.814 580 H ASP 80 H ASP 80 24.782 -8.866 2.190 581 HA ASP 80 HA ASP 80 27.665 -9.577 2.114 582 1HB ASP 80 HB2 ASP 80 26.058 -10.788 0.639 583 2HB ASP 80 HB3 ASP 80 25.667 -9.261 -0.149 584 H ILE 81 H ILE 81 25.413 -6.901 1.629 585 HA ILE 81 HA ILE 81 27.066 -4.928 0.463 586 HB ILE 81 HB ILE 81 24.980 -4.791 2.670 587 1HG1 ILE 81 HG12 ILE 81 24.909 -4.025 -0.284 588 2HG1 ILE 81 HG13 ILE 81 24.157 -5.436 0.449 589 1HG2 ILE 81 HG21 ILE 81 26.045 -2.333 1.260 590 2HG2 ILE 81 HG22 ILE 81 24.837 -2.400 2.545 591 3HG2 ILE 81 HG23 ILE 81 26.506 -2.787 2.912 592 1HD1 ILE 81 HD11 ILE 81 23.310 -2.562 0.607 593 2HD1 ILE 81 HD12 ILE 81 22.348 -4.031 0.296 594 3HD1 ILE 81 HD13 ILE 81 22.880 -3.659 1.932 595 H ALA 82 H ALA 82 26.962 -6.157 3.767 596 HA ALA 82 HA ALA 82 28.631 -4.389 5.084 597 1HB ALA 82 HB1 ALA 82 27.253 -6.175 6.133 598 2HB ALA 82 HB2 ALA 82 28.383 -7.395 5.485 599 3HB ALA 82 HB3 ALA 82 28.936 -6.227 6.703 600 H GLU 83 H GLU 83 29.641 -6.794 2.728 601 HA GLU 83 HA GLU 83 32.499 -6.257 3.452 602 1HB GLU 83 HB2 GLU 83 31.265 -8.706 2.133 603 2HB GLU 83 HB3 GLU 83 33.000 -8.397 2.291 604 1HG GLU 83 HG2 GLU 83 32.739 -8.312 4.780 605 2HG GLU 83 HG3 GLU 83 31.036 -8.734 4.599 606 H MET 84 H MET 84 30.054 -6.413 0.883 607 HA MET 84 HA MET 84 31.968 -5.916 -1.208 608 1HB MET 84 HB2 MET 84 28.938 -5.759 -1.128 609 2HB MET 84 HB3 MET 84 29.878 -5.391 -2.583 610 1HG MET 84 HG2 MET 84 30.049 -8.011 -1.050 611 2HG MET 84 HG3 MET 84 29.098 -7.743 -2.502 612 1HE MET 84 HE1 MET 84 31.214 -10.102 -2.127 613 2HE MET 84 HE2 MET 84 30.202 -9.870 -3.570 614 3HE MET 84 HE3 MET 84 31.957 -10.108 -3.743 615 H PHE 85 H PHE 85 30.164 -3.706 0.914 616 HA PHE 85 HA PHE 85 30.697 -1.416 -0.753 617 1HB PHE 85 HB2 PHE 85 29.648 -1.834 2.000 618 2HB PHE 85 HB3 PHE 85 30.564 -0.357 1.761 619 HD1 PHE 85 HD1 PHE 85 28.015 -2.355 -0.236 620 HD2 PHE 85 HD2 PHE 85 29.363 1.517 1.149 621 HE1 PHE 85 HE1 PHE 85 26.169 -1.258 -1.459 622 HE2 PHE 85 HE2 PHE 85 27.524 2.601 -0.120 623 HZ PHE 85 HZ PHE 85 25.924 1.223 -1.403 624 H MET 86 H MET 86 32.555 -2.853 1.973 625 HA MET 86 HA MET 86 34.551 -0.798 1.791 626 1HB MET 86 HB2 MET 86 35.841 -2.027 3.375 627 2HB MET 86 HB3 MET 86 34.156 -1.986 3.877 628 1HG MET 86 HG2 MET 86 33.827 -4.292 3.156 629 2HG MET 86 HG3 MET 86 35.454 -4.352 2.465 630 1HE MET 86 HE1 MET 86 34.518 -6.669 4.323 631 2HE MET 86 HE2 MET 86 36.157 -6.517 3.652 632 3HE MET 86 HE3 MET 86 35.930 -6.838 5.384 633 H MET 87 H MET 87 33.922 -3.023 -0.561 634 HA MET 87 HA MET 87 36.610 -3.697 -1.432 635 1HB MET 87 HB2 MET 87 34.058 -3.184 -3.024 636 2HB MET 87 HB3 MET 87 35.538 -3.866 -3.678 637 1HG MET 87 HG2 MET 87 33.976 -5.140 -1.422 638 2HG MET 87 HG3 MET 87 33.681 -5.494 -3.117 639 1HE MET 87 HE1 MET 87 36.715 -7.550 -4.265 640 2HE MET 87 HE2 MET 87 35.051 -7.024 -4.598 641 3HE MET 87 HE3 MET 87 36.375 -5.837 -4.578 642 H THR 88 H THR 88 34.367 -0.904 -1.720 643 HA THR 88 HA THR 88 36.265 0.714 -3.232 644 HB THR 88 HB THR 88 34.622 2.474 -2.930 645 HG1 THR 88 HG1 THR 88 33.307 0.640 -1.224 646 1HG2 THR 88 HG21 THR 88 32.780 1.496 -4.211 647 2HG2 THR 88 HG22 THR 88 34.327 0.843 -4.777 648 3HG2 THR 88 HG23 THR 88 33.276 -0.145 -3.731 649 H THR 89 H THR 89 37.730 2.163 -2.276 650 HA THR 89 HA THR 89 39.044 1.201 -0.140 651 HB THR 89 HB THR 89 39.114 4.093 -1.076 652 HG1 THR 89 HG1 THR 89 40.253 1.802 -2.312 653 1HG2 THR 89 HG21 THR 89 41.315 2.212 -0.106 654 2HG2 THR 89 HG22 THR 89 41.559 3.858 -0.740 655 3HG2 THR 89 HG23 THR 89 40.658 3.615 0.762 656 H HIS 90 H HIS 90 38.510 1.012 1.890 657 HA HIS 90 HA HIS 90 37.846 1.414 3.993 658 1HB HIS 90 HB2 HIS 90 38.627 4.220 3.162 659 2HB HIS 90 HB3 HIS 90 38.438 3.692 4.844 660 HD1 HIS 90 HD1 HIS 90 41.231 4.664 3.201 661 HD2 HIS 90 HD2 HIS 90 40.059 0.889 4.658 662 HE1 HIS 90 HE1 HIS 90 43.370 3.325 3.524 663 H ASN 91 H ASN 91 35.668 1.757 1.827 664 HA ASN 91 HA ASN 91 33.862 3.759 2.826 665 1HB ASN 91 HB2 ASN 91 33.895 2.523 0.558 666 2HB ASN 91 HB3 ASN 91 33.017 1.230 1.394 667 1HD2 ASN 91 HD22 ASN 91 31.950 2.505 -0.798 668 2HD2 ASN 91 HD21 ASN 91 30.584 3.501 -0.310 669 H MET 92 H MET 92 31.925 3.409 4.075 670 HA MET 92 HA MET 92 32.367 1.620 6.336 671 1HB MET 92 HB2 MET 92 30.093 3.529 5.634 672 2HB MET 92 HB3 MET 92 30.203 2.616 7.145 673 1HG MET 92 HG2 MET 92 32.227 4.673 6.195 674 2HG MET 92 HG3 MET 92 30.968 4.938 7.397 675 1HE MET 92 HE1 MET 92 34.286 5.059 9.493 676 2HE MET 92 HE2 MET 92 34.068 5.603 7.815 677 3HE MET 92 HE3 MET 92 32.807 5.927 9.027 678 HA PRO 93 HA PRO 93 29.726 -1.642 4.725 679 1HB PRO 93 HB2 PRO 93 29.088 -3.021 6.993 680 2HB PRO 93 HB3 PRO 93 30.768 -2.926 6.388 681 1HG PRO 93 HG2 PRO 93 29.491 -1.217 8.545 682 2HG PRO 93 HG3 PRO 93 31.044 -2.111 8.613 683 1HD PRO 93 HD2 PRO 93 30.898 0.547 7.966 684 2HD PRO 93 HD3 PRO 93 32.119 -0.538 7.236 685 H LEU 94 H LEU 94 28.329 0.178 4.090 686 HA LEU 94 HA LEU 94 26.549 1.487 5.611 687 1HB LEU 94 HB2 LEU 94 27.196 1.326 2.861 688 2HB LEU 94 HB3 LEU 94 25.435 1.313 2.942 689 HG LEU 94 HG LEU 94 27.237 3.308 4.387 690 1HD1 LEU 94 HD11 LEU 94 25.741 3.625 1.751 691 2HD1 LEU 94 HD12 LEU 94 26.548 4.940 2.637 692 3HD1 LEU 94 HD13 LEU 94 27.504 3.603 1.997 693 1HD2 LEU 94 HD21 LEU 94 25.171 4.693 4.596 694 2HD2 LEU 94 HD22 LEU 94 24.221 3.376 3.871 695 3HD2 LEU 94 HD23 LEU 94 25.010 3.161 5.447 696 H ASN 95 H ASN 95 25.994 -1.779 5.150 697 HA ASN 95 HA ASN 95 23.151 -1.851 5.271 698 1HB ASN 95 HB2 ASN 95 23.271 -4.022 5.954 699 2HB ASN 95 HB3 ASN 95 24.823 -3.876 5.131 700 1HD2 ASN 95 HD22 ASN 95 26.550 -2.762 7.144 701 2HD2 ASN 95 HD21 ASN 95 26.528 -3.846 8.500 702 H TYR 96 H TYR 96 25.440 -0.546 7.609 703 HA TYR 96 HA TYR 96 23.868 -0.804 9.948 704 1HB TYR 96 HB2 TYR 96 25.155 0.943 10.876 705 2HB TYR 96 HB3 TYR 96 26.233 0.015 9.853 706 HD1 TYR 96 HD1 TYR 96 24.321 3.221 10.142 707 HD2 TYR 96 HD2 TYR 96 27.415 1.089 8.031 708 HE1 TYR 96 HE1 TYR 96 24.941 5.301 8.977 709 HE2 TYR 96 HE2 TYR 96 28.009 3.168 6.820 710 HH TYR 96 HH TYR 96 26.331 6.284 7.351 711 H LEU 97 H LEU 97 23.474 1.394 7.154 712 HA LEU 97 HA LEU 97 21.486 3.098 8.420 713 1HB LEU 97 HB2 LEU 97 22.688 3.835 6.462 714 2HB LEU 97 HB3 LEU 97 22.150 2.468 5.498 715 HG LEU 97 HG LEU 97 20.040 4.265 6.687 716 1HD1 LEU 97 HD11 LEU 97 20.216 5.856 4.861 717 2HD1 LEU 97 HD12 LEU 97 21.754 5.795 5.730 718 3HD1 LEU 97 HD13 LEU 97 21.598 4.961 4.172 719 1HD2 LEU 97 HD21 LEU 97 19.205 2.367 5.367 720 2HD2 LEU 97 HD22 LEU 97 18.911 3.858 4.493 721 3HD2 LEU 97 HD23 LEU 97 20.261 2.812 4.009 722 H ILE 98 H ILE 98 21.422 0.222 6.319 723 HA ILE 98 HA ILE 98 18.615 0.059 6.056 724 HB ILE 98 HB ILE 98 20.757 -2.104 5.839 725 1HG1 ILE 98 HG12 ILE 98 19.469 -0.310 3.731 726 2HG1 ILE 98 HG13 ILE 98 21.111 -0.136 4.344 727 1HG2 ILE 98 HG21 ILE 98 18.611 -3.184 6.075 728 2HG2 ILE 98 HG22 ILE 98 17.858 -2.084 4.911 729 3HG2 ILE 98 HG23 ILE 98 19.059 -3.286 4.388 730 1HD1 ILE 98 HD11 ILE 98 21.618 -2.452 3.480 731 2HD1 ILE 98 HD12 ILE 98 20.064 -2.379 2.606 732 3HD1 ILE 98 HD13 ILE 98 21.331 -1.195 2.260 733 H ASP 99 H ASP 99 20.841 -1.528 8.436 734 HA ASP 99 HA ASP 99 18.802 -3.059 9.613 735 1HB ASP 99 HB2 ASP 99 21.255 -3.443 9.858 736 2HB ASP 99 HB3 ASP 99 21.366 -2.014 10.894 737 H GLN 100 H GLN 100 19.401 0.327 10.010 738 HA GLN 100 HA GLN 100 17.872 0.489 12.551 739 1HB GLN 100 HB2 GLN 100 19.405 2.531 10.888 740 2HB GLN 100 HB3 GLN 100 18.467 2.947 12.326 741 1HG GLN 100 HG2 GLN 100 19.832 1.485 13.730 742 2HG GLN 100 HG3 GLN 100 20.766 0.949 12.333 743 1HE2 GLN 100 HE22 GLN 100 22.181 2.450 11.265 744 2HE2 GLN 100 HE21 GLN 100 22.754 3.902 12.088 745 H LEU 101 H LEU 101 16.981 0.065 9.429 746 HA LEU 101 HA LEU 101 14.592 1.850 9.630 747 1HB LEU 101 HB2 LEU 101 16.432 2.902 8.377 748 2HB LEU 101 HB3 LEU 101 16.561 1.488 7.336 749 HG LEU 101 HG LEU 101 14.413 1.949 6.332 750 1HD1 LEU 101 HD11 LEU 101 14.233 4.350 8.214 751 2HD1 LEU 101 HD12 LEU 101 13.168 4.064 6.825 752 3HD1 LEU 101 HD13 LEU 101 13.139 2.947 8.188 753 1HD2 LEU 101 HD21 LEU 101 16.459 3.039 5.462 754 2HD2 LEU 101 HD22 LEU 101 15.017 4.009 5.170 755 3HD2 LEU 101 HD23 LEU 101 16.129 4.465 6.474 756 H LYS 102 H LYS 102 16.027 -1.094 8.277 757 HA LYS 102 HA LYS 102 13.893 -1.969 6.708 758 1HB LYS 102 HB2 LYS 102 15.076 -3.960 6.488 759 2HB LYS 102 HB3 LYS 102 16.336 -2.791 6.855 760 1HG LYS 102 HG2 LYS 102 16.188 -3.615 9.299 761 2HG LYS 102 HG3 LYS 102 15.196 -4.943 8.657 762 1HD LYS 102 HD2 LYS 102 17.138 -5.266 6.931 763 2HD LYS 102 HD3 LYS 102 18.091 -4.261 8.003 764 1HE LYS 102 HE2 LYS 102 16.949 -7.017 8.479 765 2HE LYS 102 HE3 LYS 102 18.644 -6.516 8.444 766 1HZ LYS 102 HZ1 LYS 102 18.352 -5.444 10.579 767 2HZ LYS 102 HZ2 LYS 102 16.723 -5.729 10.571 768 3HZ LYS 102 HZ3 LYS 102 17.782 -6.955 10.681 769 H GLU 103 H GLU 103 14.208 -2.032 10.171 770 HA GLU 103 HA GLU 103 12.581 -4.234 10.805 771 1HB GLU 103 HB2 GLU 103 13.065 -1.649 12.340 772 2HB GLU 103 HB3 GLU 103 12.393 -3.139 13.024 773 1HG GLU 103 HG2 GLU 103 14.513 -4.329 12.383 774 2HG GLU 103 HG3 GLU 103 15.194 -2.779 11.882 775 H ASP 104 H ASP 104 11.631 -1.134 9.511 776 HA ASP 104 HA ASP 104 8.795 -1.571 10.345 777 1HB ASP 104 HB2 ASP 104 10.034 0.510 11.098 778 2HB ASP 104 HB3 ASP 104 10.120 0.978 9.393 779 H ILE 105 H ILE 105 10.647 -2.358 7.816 780 HA ILE 105 HA ILE 105 8.751 -1.441 5.697 781 HB ILE 105 HB ILE 105 11.766 -1.854 5.612 782 1HG1 ILE 105 HG12 ILE 105 10.072 0.670 5.332 783 2HG1 ILE 105 HG13 ILE 105 11.028 0.248 6.744 784 1HG2 ILE 105 HG21 ILE 105 9.844 -1.080 3.375 785 2HG2 ILE 105 HG22 ILE 105 11.612 -1.031 3.253 786 3HG2 ILE 105 HG23 ILE 105 10.824 -2.559 3.505 787 1HD1 ILE 105 HD11 ILE 105 13.098 0.301 5.333 788 2HD1 ILE 105 HD12 ILE 105 12.112 0.964 4.010 789 3HD1 ILE 105 HD13 ILE 105 12.256 1.860 5.518 790 H GLY 106 H GLY 106 8.196 -2.945 4.063 791 1HA GLY 106 HA2 GLY 106 7.957 -5.666 5.002 792 2HA GLY 106 HA3 GLY 106 7.366 -4.980 3.480 793 H GLU 107 H GLU 107 9.919 -4.003 2.468 794 HA GLU 107 HA GLU 107 11.777 -6.260 2.457 795 1HB GLU 107 HB2 GLU 107 10.018 -6.700 0.620 796 2HB GLU 107 HB3 GLU 107 10.559 -5.192 -0.132 797 1HG GLU 107 HG2 GLU 107 11.620 -7.050 -1.238 798 2HG GLU 107 HG3 GLU 107 12.844 -6.134 -0.373 799 H VAL 108 H VAL 108 13.892 -5.500 2.023 800 HA VAL 108 HA VAL 108 14.129 -2.760 0.946 801 HB VAL 108 HB VAL 108 15.902 -3.855 3.151 802 1HG1 VAL 108 HG11 VAL 108 15.760 -1.187 1.664 803 2HG1 VAL 108 HG12 VAL 108 16.687 -1.422 3.151 804 3HG1 VAL 108 HG13 VAL 108 17.120 -2.326 1.697 805 1HG2 VAL 108 HG21 VAL 108 13.726 -1.746 3.301 806 2HG2 VAL 108 HG22 VAL 108 13.728 -3.324 4.117 807 3HG2 VAL 108 HG23 VAL 108 14.912 -2.088 4.573 808 H ILE 109 H ILE 109 15.528 -2.629 -0.720 809 HA ILE 109 HA ILE 109 17.199 -4.983 -1.449 810 HB ILE 109 HB ILE 109 15.577 -3.243 -3.367 811 1HG1 ILE 109 HG12 ILE 109 14.423 -5.683 -3.703 812 2HG1 ILE 109 HG13 ILE 109 14.752 -5.782 -1.984 813 1HG2 ILE 109 HG21 ILE 109 17.078 -5.860 -3.780 814 2HG2 ILE 109 HG22 ILE 109 16.106 -5.033 -5.011 815 3HG2 ILE 109 HG23 ILE 109 17.558 -4.257 -4.404 816 1HD1 ILE 109 HD11 ILE 109 13.374 -3.754 -1.620 817 2HD1 ILE 109 HD12 ILE 109 13.212 -3.534 -3.384 818 3HD1 ILE 109 HD13 ILE 109 12.469 -4.927 -2.585 819 H PHE 110 H PHE 110 19.164 -4.364 -2.554 820 HA PHE 110 HA PHE 110 19.666 -1.475 -2.899 821 1HB PHE 110 HB2 PHE 110 20.856 -2.071 -0.840 822 2HB PHE 110 HB3 PHE 110 21.546 -3.484 -1.645 823 HD1 PHE 110 HD1 PHE 110 23.330 -3.283 -3.315 824 HD2 PHE 110 HD2 PHE 110 21.790 0.185 -1.293 825 HE1 PHE 110 HE1 PHE 110 25.191 -1.918 -4.216 826 HE2 PHE 110 HE2 PHE 110 23.576 1.573 -2.298 827 HZ PHE 110 HZ PHE 110 25.279 0.512 -3.782 828 H LEU 111 H LEU 111 20.728 -1.070 -4.818 829 HA LEU 111 HA LEU 111 21.620 -3.376 -6.479 830 1HB LEU 111 HB2 LEU 111 19.598 -2.526 -7.382 831 2HB LEU 111 HB3 LEU 111 20.108 -0.851 -7.235 832 HG LEU 111 HG LEU 111 21.756 -2.714 -8.950 833 1HD1 LEU 111 HD11 LEU 111 19.129 -1.399 -9.747 834 2HD1 LEU 111 HD12 LEU 111 20.255 -2.135 -10.886 835 3HD1 LEU 111 HD13 LEU 111 19.473 -3.154 -9.691 836 1HD2 LEU 111 HD21 LEU 111 22.019 -0.637 -10.336 837 2HD2 LEU 111 HD22 LEU 111 20.977 0.237 -9.207 838 3HD2 LEU 111 HD23 LEU 111 22.567 -0.366 -8.695 839 H GLY 112 H GLY 112 23.660 -3.234 -7.132 840 1HA GLY 112 HA2 GLY 112 25.218 -0.741 -6.614 841 2HA GLY 112 HA3 GLY 112 25.865 -2.377 -6.489 842 H ILE 113 H ILE 113 26.789 -0.238 -8.209 843 HA ILE 113 HA ILE 113 26.559 -1.574 -10.855 844 HB ILE 113 HB ILE 113 26.642 1.428 -10.316 845 1HG1 ILE 113 HG12 ILE 113 24.372 -0.176 -11.581 846 2HG1 ILE 113 HG13 ILE 113 24.393 0.388 -9.908 847 1HG2 ILE 113 HG21 ILE 113 26.493 -0.058 -12.980 848 2HG2 ILE 113 HG22 ILE 113 26.527 1.713 -12.750 849 3HG2 ILE 113 HG23 ILE 113 27.931 0.757 -12.343 850 1HD1 ILE 113 HD11 ILE 113 23.090 1.941 -11.141 851 2HD1 ILE 113 HD12 ILE 113 24.617 2.726 -10.685 852 3HD1 ILE 113 HD13 ILE 113 24.357 2.166 -12.357 853 H GLN 114 H GLN 114 28.595 -2.125 -11.561 854 HA GLN 114 HA GLN 114 30.915 -1.735 -10.004 855 1HB GLN 114 HB2 GLN 114 30.598 -3.581 -11.576 856 2HB GLN 114 HB3 GLN 114 30.540 -2.461 -12.934 857 1HG GLN 114 HG2 GLN 114 32.713 -3.531 -12.819 858 2HG GLN 114 HG3 GLN 114 32.903 -1.817 -12.528 859 1HE2 GLN 114 HE22 GLN 114 34.293 -1.358 -10.818 860 2HE2 GLN 114 HE21 GLN 114 34.620 -2.496 -9.490 861 HA PRO 115 HA PRO 115 31.902 2.436 -11.718 862 1HB PRO 115 HB2 PRO 115 33.730 3.228 -9.893 863 2HB PRO 115 HB3 PRO 115 31.988 3.171 -9.486 864 1HG PRO 115 HG2 PRO 115 34.103 1.067 -8.897 865 2HG PRO 115 HG3 PRO 115 32.917 1.791 -7.760 866 1HD PRO 115 HD2 PRO 115 32.471 -0.583 -9.047 867 2HD PRO 115 HD3 PRO 115 31.158 0.555 -8.659 868 H ASP 116 H ASP 116 33.999 3.378 -12.440 869 HA ASP 116 HA ASP 116 36.234 1.443 -12.824 870 1HB ASP 116 HB2 ASP 116 34.968 1.725 -14.938 871 2HB ASP 116 HB3 ASP 116 35.183 3.470 -14.836 872 H ILE 117 H ILE 117 35.111 4.835 -12.344 873 HA ILE 117 HA ILE 117 37.786 5.438 -11.225 874 HB ILE 117 HB ILE 117 38.100 7.413 -12.333 875 1HG1 ILE 117 HG12 ILE 117 36.260 8.308 -14.033 876 2HG1 ILE 117 HG13 ILE 117 35.149 7.486 -12.938 877 1HG2 ILE 117 HG21 ILE 117 38.033 7.036 -14.719 878 2HG2 ILE 117 HG22 ILE 117 38.450 5.528 -13.894 879 3HG2 ILE 117 HG23 ILE 117 36.807 5.772 -14.543 880 1HD1 ILE 117 HD11 ILE 117 37.179 9.671 -12.301 881 2HD1 ILE 117 HD12 ILE 117 35.412 9.826 -12.337 882 3HD1 ILE 117 HD13 ILE 117 36.193 8.885 -11.058 883 H VAL 118 H VAL 118 37.701 6.521 -9.296 884 HA VAL 118 HA VAL 118 35.218 7.868 -8.467 885 HB VAL 118 HB VAL 118 36.576 5.644 -6.876 886 1HG1 VAL 118 HG11 VAL 118 35.938 7.462 -5.349 887 2HG1 VAL 118 HG12 VAL 118 34.306 7.503 -6.048 888 3HG1 VAL 118 HG13 VAL 118 34.858 6.084 -5.134 889 1HG2 VAL 118 HG21 VAL 118 35.002 4.714 -8.510 890 2HG2 VAL 118 HG22 VAL 118 34.320 4.575 -6.891 891 3HG2 VAL 118 HG23 VAL 118 33.737 5.848 -7.986 892 H GLY 119 H GLY 119 35.751 9.736 -7.412 893 1HA GLY 119 HA2 GLY 119 37.750 10.402 -5.718 894 2HA GLY 119 HA3 GLY 119 38.547 10.575 -7.292 895 H PHE 120 H PHE 120 37.942 12.763 -5.470 896 HA PHE 120 HA PHE 120 35.458 14.000 -6.123 897 1HB PHE 120 HB2 PHE 120 36.817 14.307 -4.017 898 2HB PHE 120 HB3 PHE 120 37.965 15.264 -4.953 899 HD1 PHE 120 HD1 PHE 120 37.610 17.610 -5.154 900 HD2 PHE 120 HD2 PHE 120 34.309 15.047 -4.064 901 HE1 PHE 120 HE1 PHE 120 36.180 19.603 -4.776 902 HE2 PHE 120 HE2 PHE 120 32.888 17.047 -3.687 903 HZ PHE 120 HZ PHE 120 33.819 19.325 -4.041 904 H TYR 121 H TYR 121 35.062 15.810 -7.236 905 HA TYR 121 HA TYR 121 34.893 17.076 -9.025 906 1HB TYR 121 HB2 TYR 121 36.841 18.169 -7.695 907 2HB TYR 121 HB3 TYR 121 37.870 17.607 -8.998 908 HD1 TYR 121 HD1 TYR 121 37.969 18.897 -11.052 909 HD2 TYR 121 HD2 TYR 121 34.834 19.631 -8.182 910 HE1 TYR 121 HE1 TYR 121 37.294 20.920 -12.317 911 HE2 TYR 121 HE2 TYR 121 34.141 21.650 -9.439 912 HH TYR 121 HH TYR 121 34.550 23.011 -11.289 913 H TYR 122 H TYR 122 34.992 14.342 -9.568 914 HA TYR 122 HA TYR 122 36.106 14.376 -12.336 915 1HB TYR 122 HB2 TYR 122 35.755 11.963 -10.532 916 2HB TYR 122 HB3 TYR 122 36.226 11.939 -12.220 917 HD1 TYR 122 HD1 TYR 122 37.609 10.607 -9.903 918 HD2 TYR 122 HD2 TYR 122 38.319 14.343 -11.938 919 HE1 TYR 122 HE1 TYR 122 40.010 10.391 -9.427 920 HE2 TYR 122 HE2 TYR 122 40.720 14.178 -11.407 921 HH TYR 122 HH TYR 122 42.122 11.393 -9.608 922 HA PRO 123 HA PRO 123 31.810 13.577 -13.298 923 1HB PRO 123 HB2 PRO 123 31.940 12.964 -15.925 924 2HB PRO 123 HB3 PRO 123 32.424 14.583 -15.333 925 1HG PRO 123 HG2 PRO 123 34.214 12.213 -15.956 926 2HG PRO 123 HG3 PRO 123 34.402 13.912 -16.500 927 1HD PRO 123 HD2 PRO 123 35.689 12.850 -14.297 928 2HD PRO 123 HD3 PRO 123 35.229 14.579 -14.417 929 H MET 124 H MET 124 30.376 11.816 -14.054 930 HA MET 124 HA MET 124 31.239 9.110 -13.364 931 1HB MET 124 HB2 MET 124 28.978 10.012 -12.886 932 2HB MET 124 HB3 MET 124 28.691 10.235 -14.619 933 1HG MET 124 HG2 MET 124 28.988 7.756 -14.926 934 2HG MET 124 HG3 MET 124 29.117 7.588 -13.180 935 1HE MET 124 HE1 MET 124 27.247 8.155 -11.496 936 2HE MET 124 HE2 MET 124 26.887 9.774 -12.149 937 3HE MET 124 HE3 MET 124 25.578 8.609 -11.931 938 H THR 125 H THR 125 31.730 7.524 -14.869 939 HA THR 125 HA THR 125 32.527 8.387 -17.543 940 HB THR 125 HB THR 125 33.380 6.071 -17.703 941 HG1 THR 125 HG1 THR 125 32.392 5.801 -15.043 942 1HG2 THR 125 HG21 THR 125 35.093 6.147 -16.013 943 2HG2 THR 125 HG22 THR 125 34.830 7.776 -16.664 944 3HG2 THR 125 HG23 THR 125 34.177 7.342 -15.066 945 H GLN 126 H GLN 126 31.852 7.196 -19.505 946 HA GLN 126 HA GLN 126 29.133 7.221 -19.906 947 1HB GLN 126 HB2 GLN 126 30.808 7.450 -21.656 948 2HB GLN 126 HB3 GLN 126 31.315 5.775 -21.445 949 1HG GLN 126 HG2 GLN 126 29.947 5.979 -23.415 950 2HG GLN 126 HG3 GLN 126 29.109 4.988 -22.232 951 1HE2 GLN 126 HE22 GLN 126 27.212 5.936 -21.104 952 2HE2 GLN 126 HE21 GLN 126 26.357 7.276 -21.844 953 HA PRO 127 HA PRO 127 28.727 2.529 -19.641 954 1HB PRO 127 HB2 PRO 127 30.291 1.034 -17.909 955 2HB PRO 127 HB3 PRO 127 30.589 1.246 -19.659 956 1HG PRO 127 HG2 PRO 127 31.865 2.705 -17.352 957 2HG PRO 127 HG3 PRO 127 32.634 2.081 -18.839 958 1HD PRO 127 HD2 PRO 127 31.976 4.685 -18.499 959 2HD PRO 127 HD3 PRO 127 31.880 3.907 -20.101 960 H ILE 128 H ILE 128 29.705 4.305 -16.672 961 HA ILE 128 HA ILE 128 27.659 2.914 -15.104 962 HB ILE 128 HB ILE 128 29.560 5.182 -14.465 963 1HG1 ILE 128 HG12 ILE 128 30.448 3.564 -12.817 964 2HG1 ILE 128 HG13 ILE 128 29.287 2.352 -13.316 965 1HG2 ILE 128 HG21 ILE 128 27.594 3.865 -12.523 966 2HG2 ILE 128 HG22 ILE 128 28.790 5.128 -12.153 967 3HG2 ILE 128 HG23 ILE 128 27.412 5.494 -13.177 968 1HD1 ILE 128 HD11 ILE 128 31.687 2.080 -14.128 969 2HD1 ILE 128 HD12 ILE 128 30.433 1.973 -15.374 970 3HD1 ILE 128 HD13 ILE 128 31.392 3.456 -15.182 971 H LYS 129 H LYS 129 27.992 6.026 -16.832 972 HA LYS 129 HA LYS 129 25.423 7.084 -16.166 973 1HB LYS 129 HB2 LYS 129 27.049 7.282 -18.738 974 2HB LYS 129 HB3 LYS 129 25.494 8.084 -18.521 975 1HG LYS 129 HG2 LYS 129 26.354 9.362 -16.623 976 2HG LYS 129 HG3 LYS 129 27.934 8.568 -16.774 977 1HD LYS 129 HD2 LYS 129 28.246 9.504 -19.014 978 2HD LYS 129 HD3 LYS 129 26.622 10.231 -18.967 979 1HE LYS 129 HE2 LYS 129 27.275 11.601 -17.020 980 2HE LYS 129 HE3 LYS 129 28.885 10.868 -17.028 981 1HZ LYS 129 HZ1 LYS 129 29.265 11.858 -19.206 982 2HZ LYS 129 HZ2 LYS 129 27.770 12.525 -19.220 983 3HZ LYS 129 HZ3 LYS 129 28.876 13.020 -18.133 984 H ASP 130 H ASP 130 26.364 4.772 -18.744 985 HA ASP 130 HA ASP 130 23.740 4.391 -19.773 986 1HB ASP 130 HB2 ASP 130 25.743 3.728 -21.000 987 2HB ASP 130 HB3 ASP 130 26.146 2.538 -19.762 988 H ALA 131 H ALA 131 25.496 2.725 -17.151 989 HA ALA 131 HA ALA 131 23.495 0.769 -16.642 990 1HB ALA 131 HB1 ALA 131 25.774 0.595 -15.750 991 2HB ALA 131 HB2 ALA 131 25.508 2.040 -14.748 992 3HB ALA 131 HB3 ALA 131 24.587 0.566 -14.427 993 H VAL 132 H VAL 132 23.991 4.050 -15.167 994 HA VAL 132 HA VAL 132 21.716 3.900 -13.459 995 HB VAL 132 HB VAL 132 23.262 6.236 -14.653 996 1HG1 VAL 132 HG11 VAL 132 21.133 7.207 -14.170 997 2HG1 VAL 132 HG12 VAL 132 20.949 6.252 -12.690 998 3HG1 VAL 132 HG13 VAL 132 22.137 7.564 -12.753 999 1HG2 VAL 132 HG21 VAL 132 23.169 5.112 -11.812 1000 2HG2 VAL 132 HG22 VAL 132 24.468 4.799 -12.982 1001 3HG2 VAL 132 HG23 VAL 132 24.185 6.444 -12.402 1002 H GLU 133 H GLU 133 22.054 5.032 -16.866 1003 HA GLU 133 HA GLU 133 19.353 5.834 -17.217 1004 1HB GLU 133 HB2 GLU 133 21.199 6.448 -18.710 1005 2HB GLU 133 HB3 GLU 133 21.447 4.769 -19.153 1006 1HG GLU 133 HG2 GLU 133 20.326 5.955 -20.932 1007 2HG GLU 133 HG3 GLU 133 19.308 4.675 -20.296 1008 H THR 134 H THR 134 20.886 2.606 -17.365 1009 HA THR 134 HA THR 134 18.565 1.258 -18.426 1010 HB THR 134 HB THR 134 20.900 0.142 -16.811 1011 HG1 THR 134 HG1 THR 134 21.601 1.214 -18.678 1012 1HG2 THR 134 HG21 THR 134 20.396 -1.967 -17.992 1013 2HG2 THR 134 HG22 THR 134 19.031 -1.460 -16.987 1014 3HG2 THR 134 HG23 THR 134 18.969 -1.212 -18.745 1015 H VAL 135 H VAL 135 19.808 1.770 -15.041 1016 HA VAL 135 HA VAL 135 17.667 0.354 -13.790 1017 HB VAL 135 HB VAL 135 19.456 2.608 -12.779 1018 1HG1 VAL 135 HG11 VAL 135 17.615 0.750 -11.201 1019 2HG1 VAL 135 HG12 VAL 135 18.854 1.806 -10.489 1020 3HG1 VAL 135 HG13 VAL 135 17.472 2.514 -11.330 1021 1HG2 VAL 135 HG21 VAL 135 20.687 0.789 -11.675 1022 2HG2 VAL 135 HG22 VAL 135 19.575 -0.415 -12.372 1023 3HG2 VAL 135 HG23 VAL 135 20.657 0.521 -13.413 1024 H TYR 136 H TYR 136 18.027 3.825 -14.662 1025 HA TYR 136 HA TYR 136 15.609 4.819 -13.675 1026 1HB TYR 136 HB2 TYR 136 17.185 6.355 -14.467 1027 2HB TYR 136 HB3 TYR 136 17.438 5.487 -15.966 1028 HD1 TYR 136 HD1 TYR 136 16.401 6.111 -17.944 1029 HD2 TYR 136 HD2 TYR 136 14.834 7.534 -14.178 1030 HE1 TYR 136 HE1 TYR 136 14.890 7.634 -19.161 1031 HE2 TYR 136 HE2 TYR 136 13.338 9.099 -15.394 1032 HH TYR 136 HH TYR 136 13.253 9.272 -18.992 1033 H GLN 137 H GLN 137 16.191 3.160 -16.847 1034 HA GLN 137 HA GLN 137 13.417 3.344 -17.635 1035 1HB GLN 137 HB2 GLN 137 15.729 1.575 -18.514 1036 2HB GLN 137 HB3 GLN 137 14.118 1.460 -19.229 1037 1HG GLN 137 HG2 GLN 137 14.195 3.685 -20.088 1038 2HG GLN 137 HG3 GLN 137 15.615 4.103 -19.128 1039 1HE2 GLN 137 HE22 GLN 137 17.666 3.218 -19.666 1040 2HE2 GLN 137 HE21 GLN 137 18.006 2.573 -21.270 1041 H ARG 138 H ARG 138 15.338 0.808 -15.994 1042 HA ARG 138 HA ARG 138 13.371 -1.201 -16.093 1043 1HB ARG 138 HB2 ARG 138 15.854 -1.436 -15.395 1044 2HB ARG 138 HB3 ARG 138 15.364 -0.839 -13.810 1045 1HG ARG 138 HG2 ARG 138 15.317 -3.183 -13.549 1046 2HG ARG 138 HG3 ARG 138 13.635 -2.789 -13.791 1047 1HD ARG 138 HD2 ARG 138 13.898 -4.598 -15.207 1048 2HD ARG 138 HD3 ARG 138 14.122 -3.274 -16.345 1049 HE ARG 138 HE ARG 138 16.210 -4.967 -15.041 1050 1HH1 ARG 138 HH21 ARG 138 15.366 -2.829 -17.764 1051 2HH1 ARG 138 HH22 ARG 138 16.828 -3.120 -18.628 1052 1HH2 ARG 138 HH11 ARG 138 18.173 -5.287 -16.153 1053 2HH2 ARG 138 HH12 ARG 138 18.453 -4.580 -17.701 1054 H LEU 139 H LEU 139 13.772 1.407 -13.734 1055 HA LEU 139 HA LEU 139 12.109 0.468 -11.708 1056 1HB LEU 139 HB2 LEU 139 12.694 3.268 -12.699 1057 2HB LEU 139 HB3 LEU 139 11.700 2.993 -11.275 1058 HG LEU 139 HG LEU 139 14.537 1.933 -11.495 1059 1HD1 LEU 139 HD11 LEU 139 14.534 4.383 -11.664 1060 2HD1 LEU 139 HD12 LEU 139 13.498 4.503 -10.230 1061 3HD1 LEU 139 HD13 LEU 139 15.158 3.873 -10.086 1062 1HD2 LEU 139 HD21 LEU 139 14.424 1.782 -9.076 1063 2HD2 LEU 139 HD22 LEU 139 12.747 2.357 -9.072 1064 3HD2 LEU 139 HD23 LEU 139 13.157 0.782 -9.791 1065 H GLU 140 H GLU 140 10.981 1.462 -14.881 1066 HA GLU 140 HA GLU 140 8.294 2.113 -13.992 1067 1HB GLU 140 HB2 GLU 140 9.327 3.015 -16.001 1068 2HB GLU 140 HB3 GLU 140 9.401 1.425 -16.744 1069 1HG GLU 140 HG2 GLU 140 6.819 2.799 -15.862 1070 2HG GLU 140 HG3 GLU 140 7.541 3.061 -17.442 1071 H GLY 141 H GLY 141 9.997 -0.893 -14.701 1072 1HA GLY 141 HA2 GLY 141 7.427 -2.425 -14.487 1073 2HA GLY 141 HA3 GLY 141 8.671 -2.780 -15.688 1074 H TRP 142 H TRP 142 10.352 -1.864 -12.997 1075 HA TRP 142 HA TRP 142 11.399 -4.324 -12.227 1076 1HB TRP 142 HB2 TRP 142 12.428 -2.176 -11.827 1077 2HB TRP 142 HB3 TRP 142 11.123 -1.660 -10.782 1078 HD1 TRP 142 HD1 TRP 142 11.044 -3.846 -8.585 1079 HE1 TRP 142 HE1 TRP 142 13.027 -4.302 -7.037 1080 HE3 TRP 142 HE3 TRP 142 14.726 -1.635 -11.359 1081 HZ2 TRP 142 HZ2 TRP 142 15.879 -3.868 -7.059 1082 HZ3 TRP 142 HZ3 TRP 142 17.057 -1.623 -10.542 1083 HH2 TRP 142 HH2 TRP 142 17.637 -2.747 -8.392 1084 H GLU 143 H GLU 143 10.246 -6.036 -11.459 1085 HA GLU 143 HA GLU 143 7.762 -5.672 -10.041 1086 1HB GLU 143 HB2 GLU 143 8.205 -7.499 -11.662 1087 2HB GLU 143 HB3 GLU 143 9.397 -8.192 -10.553 1088 1HG GLU 143 HG2 GLU 143 7.626 -8.556 -8.861 1089 2HG GLU 143 HG3 GLU 143 6.442 -7.776 -9.912 1090 H GLY 144 H GLY 144 11.024 -6.738 -9.130 1091 1HA GLY 144 HA2 GLY 144 10.718 -5.884 -6.371 1092 2HA GLY 144 HA3 GLY 144 10.650 -7.644 -6.548 1093 H ASN 145 H ASN 145 12.569 -8.035 -8.630 1094 HA ASN 145 HA ASN 145 15.089 -7.118 -7.312 1095 1HB ASN 145 HB2 ASN 145 14.204 -9.700 -7.824 1096 2HB ASN 145 HB3 ASN 145 15.218 -9.384 -9.227 1097 1HD2 ASN 145 HD22 ASN 145 17.450 -9.858 -8.924 1098 2HD2 ASN 145 HD21 ASN 145 18.136 -10.065 -7.338 1099 H GLY 146 H GLY 146 13.303 -6.055 -9.819 1100 1HA GLY 146 HA2 GLY 146 13.683 -5.004 -11.799 1101 2HA GLY 146 HA3 GLY 146 15.344 -4.775 -11.240 1102 H GLY 147 H GLY 147 14.326 -8.101 -11.581 1103 1HA GLY 147 HA2 GLY 147 15.041 -9.771 -12.955 1104 2HA GLY 147 HA3 GLY 147 15.146 -8.593 -14.271 1105 H PHE 148 H PHE 148 17.102 -7.457 -11.697 1106 HA PHE 148 HA PHE 148 19.547 -8.129 -13.106 1107 1HB PHE 148 HB2 PHE 148 18.905 -6.604 -10.552 1108 2HB PHE 148 HB3 PHE 148 20.535 -6.807 -11.189 1109 HD1 PHE 148 HD1 PHE 148 17.640 -4.687 -11.229 1110 HD2 PHE 148 HD2 PHE 148 20.873 -6.115 -13.714 1111 HE1 PHE 148 HE1 PHE 148 17.411 -2.698 -12.687 1112 HE2 PHE 148 HE2 PHE 148 20.573 -4.160 -15.215 1113 HZ PHE 148 HZ PHE 148 18.862 -2.430 -14.685 1114 H ALA 149 H ALA 149 21.216 -9.328 -12.223 1115 HA ALA 149 HA ALA 149 20.431 -11.676 -10.679 1116 1HB ALA 149 HB1 ALA 149 23.142 -10.760 -11.765 1117 2HB ALA 149 HB2 ALA 149 22.805 -12.341 -11.030 1118 3HB ALA 149 HB3 ALA 149 22.022 -11.891 -12.557 1119 H GLN 150 H GLN 150 21.244 -12.237 -8.681 1120 HA GLN 150 HA GLN 150 21.877 -9.974 -6.910 1121 1HB GLN 150 HB2 GLN 150 19.990 -11.731 -6.590 1122 2HB GLN 150 HB3 GLN 150 21.260 -12.826 -6.053 1123 1HG GLN 150 HG2 GLN 150 20.687 -10.071 -4.861 1124 2HG GLN 150 HG3 GLN 150 19.984 -11.567 -4.259 1125 1HE2 GLN 150 HE22 GLN 150 22.853 -9.565 -4.306 1126 2HE2 GLN 150 HE21 GLN 150 23.905 -10.688 -3.468 1127 H LEU 151 H LEU 151 23.924 -9.587 -6.388 1128 HA LEU 151 HA LEU 151 26.179 -10.972 -7.307 1129 1HB LEU 151 HB2 LEU 151 26.100 -8.578 -6.662 1130 2HB LEU 151 HB3 LEU 151 25.813 -9.028 -4.986 1131 HG LEU 151 HG LEU 151 28.083 -10.075 -4.895 1132 1HD1 LEU 151 HD11 LEU 151 28.421 -8.900 -7.697 1133 2HD1 LEU 151 HD12 LEU 151 29.709 -9.595 -6.697 1134 3HD1 LEU 151 HD13 LEU 151 28.416 -10.632 -7.301 1135 1HD2 LEU 151 HD21 LEU 151 27.714 -7.774 -4.181 1136 2HD2 LEU 151 HD22 LEU 151 29.290 -7.885 -4.987 1137 3HD2 LEU 151 HD23 LEU 151 27.893 -7.184 -5.834 1138 H ALA 152 H ALA 152 27.108 -12.799 -6.575 1139 HA ALA 152 HA ALA 152 26.898 -13.628 -3.738 1140 1HB ALA 152 HB1 ALA 152 26.061 -15.846 -4.391 1141 2HB ALA 152 HB2 ALA 152 24.933 -14.579 -4.893 1142 3HB ALA 152 HB3 ALA 152 25.998 -15.343 -6.097 1143 H VAL 153 H VAL 153 29.154 -12.573 -4.809 1144 HA VAL 153 HA VAL 153 31.308 -12.846 -5.382 1145 HB VAL 153 HB VAL 153 31.111 -15.387 -3.745 1146 1HG1 VAL 153 HG11 VAL 153 33.370 -14.898 -4.721 1147 2HG1 VAL 153 HG12 VAL 153 33.325 -13.284 -3.988 1148 3HG1 VAL 153 HG13 VAL 153 33.375 -14.736 -2.965 1149 1HG2 VAL 153 HG21 VAL 153 31.496 -13.962 -1.738 1150 2HG2 VAL 153 HG22 VAL 153 31.230 -12.518 -2.735 1151 3HG2 VAL 153 HG23 VAL 153 29.919 -13.687 -2.461 1152 H GLU 154 H GLU 154 29.925 -13.357 -7.517 1153 HA GLU 154 HA GLU 154 30.301 -15.932 -8.741 1154 1HB GLU 154 HB2 GLU 154 29.524 -14.836 -10.761 1155 2HB GLU 154 HB3 GLU 154 28.521 -14.370 -9.391 1156 1HG GLU 154 HG2 GLU 154 29.872 -12.215 -9.235 1157 2HG GLU 154 HG3 GLU 154 30.694 -12.691 -10.724 1158 H GLU 155 H GLU 155 31.598 -16.197 -10.782 1159 HA GLU 155 HA GLU 155 34.089 -14.660 -10.994 1160 1HB GLU 155 HB2 GLU 155 33.984 -17.681 -10.525 1161 2HB GLU 155 HB3 GLU 155 35.401 -16.793 -11.091 1162 1HG GLU 155 HG2 GLU 155 35.386 -15.459 -8.976 1163 2HG GLU 155 HG3 GLU 155 34.055 -16.458 -8.381 1164 H GLU 156 H GLU 156 35.201 -15.329 -13.074 1165 HA GLU 156 HA GLU 156 33.643 -16.794 -15.053 1166 1HB GLU 156 HB2 GLU 156 32.709 -14.492 -15.203 1167 2HB GLU 156 HB3 GLU 156 34.338 -13.839 -15.422 1168 1HG GLU 156 HG2 GLU 156 34.574 -15.113 -17.531 1169 2HG GLU 156 HG3 GLU 156 32.989 -15.847 -17.281 Start of MODEL 15 1 1H MET 1 H1 MET 1 -0.602 1.004 1.240 2 2H MET 1 H2 MET 1 0.082 2.485 1.385 3 3H MET 1 H3 MET 1 -0.411 1.967 -0.081 4 HA MET 1 HA MET 1 1.771 0.806 1.505 5 1HB MET 1 HB2 MET 1 0.955 0.123 -1.353 6 2HB MET 1 HB3 MET 1 2.329 -0.529 -0.466 7 1HG MET 1 HG2 MET 1 -0.613 -1.017 0.088 8 2HG MET 1 HG3 MET 1 0.589 -2.162 -0.480 9 1HE MET 1 HE1 MET 1 -0.336 -3.653 2.996 10 2HE MET 1 HE2 MET 1 -1.417 -2.860 1.828 11 3HE MET 1 HE3 MET 1 -0.146 -3.966 1.256 12 H THR 2 H THR 2 3.917 1.331 0.766 13 HA THR 2 HA THR 2 4.205 3.547 -1.171 14 HB THR 2 HB THR 2 5.236 3.720 1.693 15 HG1 THR 2 HG1 THR 2 2.933 4.864 0.525 16 1HG2 THR 2 HG21 THR 2 5.632 6.108 1.148 17 2HG2 THR 2 HG22 THR 2 6.581 5.029 0.119 18 3HG2 THR 2 HG23 THR 2 5.116 5.802 -0.527 19 H ASP 3 H ASP 3 6.220 3.457 -2.182 20 HA ASP 3 HA ASP 3 8.135 1.358 -1.315 21 1HB ASP 3 HB2 ASP 3 6.418 0.538 -2.995 22 2HB ASP 3 HB3 ASP 3 7.098 1.672 -4.157 23 H VAL 4 H VAL 4 9.808 2.735 -0.779 24 HA VAL 4 HA VAL 4 10.141 5.244 -2.255 25 HB VAL 4 HB VAL 4 11.924 5.571 -0.443 26 1HG1 VAL 4 HG11 VAL 4 8.985 5.393 0.315 27 2HG1 VAL 4 HG12 VAL 4 10.237 6.206 1.278 28 3HG1 VAL 4 HG13 VAL 4 9.862 6.800 -0.341 29 1HG2 VAL 4 HG21 VAL 4 12.000 3.172 0.284 30 2HG2 VAL 4 HG22 VAL 4 11.800 4.340 1.592 31 3HG2 VAL 4 HG23 VAL 4 10.415 3.389 1.023 32 H LEU 5 H LEU 5 12.093 5.887 -3.134 33 HA LEU 5 HA LEU 5 14.075 3.746 -3.811 34 1HB LEU 5 HB2 LEU 5 12.878 4.471 -5.841 35 2HB LEU 5 HB3 LEU 5 13.146 6.161 -5.420 36 HG LEU 5 HG LEU 5 15.636 5.788 -5.649 37 1HD1 LEU 5 HD11 LEU 5 16.373 3.768 -6.913 38 2HD1 LEU 5 HD12 LEU 5 15.781 3.367 -5.298 39 3HD1 LEU 5 HD13 LEU 5 14.750 3.071 -6.715 40 1HD2 LEU 5 HD21 LEU 5 14.293 6.758 -7.465 41 2HD2 LEU 5 HD22 LEU 5 15.599 5.755 -8.107 42 3HD2 LEU 5 HD23 LEU 5 13.931 5.132 -8.080 43 H LEU 6 H LEU 6 15.999 4.200 -2.799 44 HA LEU 6 HA LEU 6 16.492 6.990 -1.855 45 1HB LEU 6 HB2 LEU 6 16.192 5.433 -0.017 46 2HB LEU 6 HB3 LEU 6 17.397 4.338 -0.720 47 HG LEU 6 HG LEU 6 19.160 6.067 -0.383 48 1HD1 LEU 6 HD11 LEU 6 16.927 7.649 0.943 49 2HD1 LEU 6 HD12 LEU 6 18.659 8.013 1.101 50 3HD1 LEU 6 HD13 LEU 6 17.881 8.126 -0.479 51 1HD2 LEU 6 HD21 LEU 6 19.192 5.892 2.120 52 2HD2 LEU 6 HD22 LEU 6 17.548 5.219 2.048 53 3HD2 LEU 6 HD23 LEU 6 18.893 4.363 1.292 54 H CYS 7 H CYS 7 17.570 7.814 -3.546 55 HA CYS 7 HA CYS 7 19.832 6.454 -4.823 56 1HB CYS 7 HB2 CYS 7 18.712 9.295 -4.805 57 2HB CYS 7 HB3 CYS 7 20.120 8.811 -5.743 58 HG CYS 7 HG CYS 7 18.061 8.886 -7.350 59 H VAL 8 H VAL 8 21.997 6.677 -4.210 60 HA VAL 8 HA VAL 8 22.745 8.596 -2.073 61 HB VAL 8 HB VAL 8 23.481 5.635 -2.212 62 1HG1 VAL 8 HG11 VAL 8 24.141 7.729 -0.115 63 2HG1 VAL 8 HG12 VAL 8 24.511 5.991 -0.006 64 3HG1 VAL 8 HG13 VAL 8 25.290 6.972 -1.238 65 1HG2 VAL 8 HG21 VAL 8 21.224 5.682 -1.471 66 2HG2 VAL 8 HG22 VAL 8 22.222 5.425 -0.045 67 3HG2 VAL 8 HG23 VAL 8 21.535 7.037 -0.368 68 H GLY 9 H GLY 9 24.838 9.465 -2.424 69 1HA GLY 9 HA2 GLY 9 27.074 8.544 -3.511 70 2HA GLY 9 HA3 GLY 9 26.154 8.828 -4.990 71 H ASN 10 H ASN 10 28.416 10.199 -4.852 72 HA ASN 10 HA ASN 10 27.591 13.027 -4.286 73 1HB ASN 10 HB2 ASN 10 29.349 12.316 -2.778 74 2HB ASN 10 HB3 ASN 10 30.303 11.673 -4.089 75 1HD2 ASN 10 HD22 ASN 10 31.025 13.699 -2.063 76 2HD2 ASN 10 HD21 ASN 10 31.516 15.102 -2.972 77 H SER 11 H SER 11 27.193 14.057 -6.116 78 HA SER 11 HA SER 11 27.291 13.028 -8.622 79 1HB SER 11 HB2 SER 11 27.467 15.990 -8.047 80 2HB SER 11 HB3 SER 11 26.520 15.168 -9.296 81 HG SER 11 HG SER 11 25.234 15.860 -7.504 82 H MET 12 H MET 12 30.055 14.526 -7.049 83 HA MET 12 HA MET 12 31.389 14.720 -9.698 84 1HB MET 12 HB2 MET 12 32.541 16.722 -9.016 85 2HB MET 12 HB3 MET 12 30.797 16.955 -8.925 86 1HG MET 12 HG2 MET 12 30.897 16.599 -6.454 87 2HG MET 12 HG3 MET 12 32.643 16.370 -6.581 88 1HE MET 12 HE1 MET 12 29.653 18.847 -6.570 89 2HE MET 12 HE2 MET 12 30.386 20.390 -7.055 90 3HE MET 12 HE3 MET 12 30.181 19.096 -8.251 91 H MET 13 H MET 13 31.252 12.594 -7.523 92 HA MET 13 HA MET 13 34.109 12.452 -6.852 93 1HB MET 13 HB2 MET 13 32.519 12.506 -5.006 94 2HB MET 13 HB3 MET 13 31.794 11.008 -5.578 95 1HG MET 13 HG2 MET 13 33.837 9.796 -5.095 96 2HG MET 13 HG3 MET 13 34.712 11.308 -4.799 97 1HE MET 13 HE1 MET 13 35.638 10.291 -2.617 98 2HE MET 13 HE2 MET 13 34.640 9.584 -1.323 99 3HE MET 13 HE3 MET 13 34.724 8.793 -2.917 100 H GLY 14 H GLY 14 33.067 11.995 -9.537 101 1HA GLY 14 HA2 GLY 14 33.725 10.578 -11.200 102 2HA GLY 14 HA3 GLY 14 34.293 9.406 -10.000 103 H ASP 15 H ASP 15 33.264 7.615 -10.713 104 HA ASP 15 HA ASP 15 30.566 7.434 -11.651 105 1HB ASP 15 HB2 ASP 15 32.488 5.381 -10.504 106 2HB ASP 15 HB3 ASP 15 30.935 4.970 -11.206 107 H ASP 16 H ASP 16 31.807 7.795 -8.469 108 HA ASP 16 HA ASP 16 29.940 6.451 -6.855 109 1HB ASP 16 HB2 ASP 16 32.052 7.590 -6.151 110 2HB ASP 16 HB3 ASP 16 31.255 9.143 -6.431 111 H GLY 17 H GLY 17 29.457 9.280 -8.893 112 1HA GLY 17 HA2 GLY 17 27.219 10.407 -7.488 113 2HA GLY 17 HA3 GLY 17 27.700 10.723 -9.160 114 H ALA 18 H ALA 18 26.908 7.389 -8.112 115 HA ALA 18 HA ALA 18 25.291 7.044 -10.433 116 1HB ALA 18 HB1 ALA 18 26.517 5.201 -9.434 117 2HB ALA 18 HB2 ALA 18 25.598 5.367 -7.920 118 3HB ALA 18 HB3 ALA 18 24.778 4.841 -9.403 119 H GLY 19 H GLY 19 24.388 7.232 -6.940 120 1HA GLY 19 HA2 GLY 19 21.588 7.131 -7.316 121 2HA GLY 19 HA3 GLY 19 22.433 7.843 -5.937 122 HA PRO 20 HA PRO 20 21.652 11.978 -7.154 123 1HB PRO 20 HB2 PRO 20 24.428 12.369 -8.323 124 2HB PRO 20 HB3 PRO 20 23.463 13.505 -7.325 125 1HG PRO 20 HG2 PRO 20 25.387 11.961 -6.185 126 2HG PRO 20 HG3 PRO 20 23.820 12.203 -5.356 127 1HD PRO 20 HD2 PRO 20 24.801 9.798 -6.843 128 2HD PRO 20 HD3 PRO 20 23.719 9.910 -5.432 129 H LEU 21 H LEU 21 23.399 10.318 -9.918 130 HA LEU 21 HA LEU 21 22.104 12.053 -11.844 131 1HB LEU 21 HB2 LEU 21 24.229 10.937 -12.345 132 2HB LEU 21 HB3 LEU 21 23.478 9.357 -12.147 133 HG LEU 21 HG LEU 21 21.985 9.829 -14.105 134 1HD1 LEU 21 HD11 LEU 21 22.565 11.782 -15.589 135 2HD1 LEU 21 HD12 LEU 21 21.828 12.262 -14.061 136 3HD1 LEU 21 HD13 LEU 21 23.585 12.420 -14.286 137 1HD2 LEU 21 HD21 LEU 21 24.118 8.664 -14.436 138 2HD2 LEU 21 HD22 LEU 21 23.701 9.650 -15.842 139 3HD2 LEU 21 HD23 LEU 21 24.938 10.217 -14.698 140 H LEU 22 H LEU 22 21.391 8.831 -10.421 141 HA LEU 22 HA LEU 22 19.144 8.256 -12.073 142 1HB LEU 22 HB2 LEU 22 20.286 6.577 -10.625 143 2HB LEU 22 HB3 LEU 22 19.732 7.426 -9.193 144 HG LEU 22 HG LEU 22 17.400 6.970 -9.739 145 1HD1 LEU 22 HD11 LEU 22 18.550 5.567 -12.211 146 2HD1 LEU 22 HD12 LEU 22 16.901 5.307 -11.620 147 3HD1 LEU 22 HD13 LEU 22 17.376 6.906 -12.169 148 1HD2 LEU 22 HD21 LEU 22 17.439 4.532 -9.373 149 2HD2 LEU 22 HD22 LEU 22 19.130 4.469 -9.913 150 3HD2 LEU 22 HD23 LEU 22 18.698 5.326 -8.416 151 H ALA 23 H ALA 23 19.386 9.835 -8.861 152 HA ALA 23 HA ALA 23 16.653 10.418 -8.471 153 1HB ALA 23 HB1 ALA 23 18.356 10.709 -6.683 154 2HB ALA 23 HB2 ALA 23 19.098 12.038 -7.597 155 3HB ALA 23 HB3 ALA 23 17.457 12.206 -6.949 156 H GLU 24 H GLU 24 19.141 12.324 -10.268 157 HA GLU 24 HA GLU 24 17.471 14.577 -10.759 158 1HB GLU 24 HB2 GLU 24 19.837 14.745 -11.085 159 2HB GLU 24 HB3 GLU 24 19.863 13.406 -12.236 160 1HG GLU 24 HG2 GLU 24 18.658 14.675 -13.894 161 2HG GLU 24 HG3 GLU 24 18.356 15.994 -12.753 162 H LYS 25 H LYS 25 18.070 11.625 -12.666 163 HA LYS 25 HA LYS 25 16.337 12.307 -14.837 164 1HB LYS 25 HB2 LYS 25 17.424 9.694 -13.734 165 2HB LYS 25 HB3 LYS 25 16.415 9.764 -15.194 166 1HG LYS 25 HG2 LYS 25 18.019 11.133 -16.352 167 2HG LYS 25 HG3 LYS 25 19.021 11.305 -14.900 168 1HD LYS 25 HD2 LYS 25 19.446 8.882 -14.864 169 2HD LYS 25 HD3 LYS 25 18.446 8.647 -16.304 170 1HE LYS 25 HE2 LYS 25 20.922 10.435 -16.212 171 2HE LYS 25 HE3 LYS 25 20.966 8.731 -16.683 172 1HZ LYS 25 HZ1 LYS 25 19.498 9.202 -18.505 173 2HZ LYS 25 HZ2 LYS 25 19.387 10.797 -18.102 174 3HZ LYS 25 HZ3 LYS 25 20.809 10.174 -18.611 175 H CYS 26 H CYS 26 15.701 10.270 -11.899 176 HA CYS 26 HA CYS 26 12.977 9.774 -12.561 177 1HB CYS 26 HB2 CYS 26 14.344 9.863 -9.835 178 2HB CYS 26 HB3 CYS 26 12.743 9.169 -10.183 179 HG CYS 26 HG CYS 26 14.478 7.234 -9.921 180 H ALA 27 H ALA 27 14.472 12.494 -10.685 181 HA ALA 27 HA ALA 27 12.013 13.668 -9.923 182 1HB ALA 27 HB1 ALA 27 13.339 15.730 -9.604 183 2HB ALA 27 HB2 ALA 27 14.158 14.315 -8.917 184 3HB ALA 27 HB3 ALA 27 14.704 14.996 -10.469 185 H ALA 28 H ALA 28 14.019 14.071 -12.889 186 HA ALA 28 HA ALA 28 12.403 16.100 -14.052 187 1HB ALA 28 HB1 ALA 28 14.260 14.078 -15.378 188 2HB ALA 28 HB2 ALA 28 13.646 15.572 -16.110 189 3HB ALA 28 HB3 ALA 28 14.741 15.659 -14.717 190 H ALA 29 H ALA 29 12.191 12.569 -14.063 191 HA ALA 29 HA ALA 29 9.587 12.589 -15.452 192 1HB ALA 29 HB1 ALA 29 11.141 12.527 -17.315 193 2HB ALA 29 HB2 ALA 29 12.106 11.268 -16.521 194 3HB ALA 29 HB3 ALA 29 10.460 10.902 -17.090 195 HA PRO 30 HA PRO 30 9.829 9.735 -11.848 196 1HB PRO 30 HB2 PRO 30 6.855 9.884 -12.388 197 2HB PRO 30 HB3 PRO 30 7.712 9.830 -10.813 198 1HG PRO 30 HG2 PRO 30 6.803 12.192 -11.776 199 2HG PRO 30 HG3 PRO 30 8.443 12.097 -11.052 200 1HD PRO 30 HD2 PRO 30 7.678 12.103 -13.979 201 2HD PRO 30 HD3 PRO 30 9.010 12.967 -13.150 202 H LYS 31 H LYS 31 9.191 7.506 -11.514 203 HA LYS 31 HA LYS 31 8.383 5.959 -13.924 204 1HB LYS 31 HB2 LYS 31 10.706 5.352 -12.008 205 2HB LYS 31 HB3 LYS 31 10.125 4.236 -13.227 206 1HG LYS 31 HG2 LYS 31 11.280 6.993 -13.872 207 2HG LYS 31 HG3 LYS 31 12.192 5.491 -13.881 208 1HD LYS 31 HD2 LYS 31 10.724 4.557 -15.624 209 2HD LYS 31 HD3 LYS 31 9.756 6.050 -15.635 210 1HE LYS 31 HE2 LYS 31 11.804 7.321 -16.279 211 2HE LYS 31 HE3 LYS 31 12.702 5.795 -16.347 212 1HZ LYS 31 HZ1 LYS 31 10.419 6.578 -18.062 213 2HZ LYS 31 HZ2 LYS 31 11.960 6.332 -18.540 214 3HZ LYS 31 HZ3 LYS 31 11.031 5.062 -18.041 215 H GLY 32 H GLY 32 7.666 3.749 -13.280 216 1HA GLY 32 HA2 GLY 32 6.114 2.464 -12.183 217 2HA GLY 32 HA3 GLY 32 7.265 2.633 -10.857 218 H ASN 33 H ASN 33 6.233 3.096 -9.043 219 HA ASN 33 HA ASN 33 4.512 5.482 -8.902 220 1HB ASN 33 HB2 ASN 33 2.962 3.505 -9.012 221 2HB ASN 33 HB3 ASN 33 3.760 2.841 -7.584 222 1HD2 ASN 33 HD22 ASN 33 1.977 2.978 -6.135 223 2HD2 ASN 33 HD21 ASN 33 1.238 4.490 -5.678 224 H TRP 34 H TRP 34 7.263 5.175 -8.413 225 HA TRP 34 HA TRP 34 7.880 4.465 -5.691 226 1HB TRP 34 HB2 TRP 34 9.428 6.068 -7.774 227 2HB TRP 34 HB3 TRP 34 10.092 5.456 -6.270 228 HD1 TRP 34 HD1 TRP 34 9.149 4.344 -9.747 229 HE1 TRP 34 HE1 TRP 34 10.024 1.992 -10.205 230 HE3 TRP 34 HE3 TRP 34 10.709 3.160 -5.027 231 HZ2 TRP 34 HZ2 TRP 34 11.645 0.084 -8.831 232 HZ3 TRP 34 HZ3 TRP 34 11.973 1.074 -4.636 233 HH2 TRP 34 HH2 TRP 34 12.512 -0.442 -6.531 234 H VAL 35 H VAL 35 8.924 5.934 -4.229 235 HA VAL 35 HA VAL 35 8.197 8.818 -4.437 236 HB VAL 35 HB VAL 35 8.310 7.120 -1.911 237 1HG1 VAL 35 HG11 VAL 35 7.751 10.100 -2.311 238 2HG1 VAL 35 HG12 VAL 35 7.551 9.218 -0.784 239 3HG1 VAL 35 HG13 VAL 35 9.162 9.395 -1.488 240 1HG2 VAL 35 HG21 VAL 35 6.231 6.709 -3.104 241 2HG2 VAL 35 HG22 VAL 35 5.901 7.741 -1.708 242 3HG2 VAL 35 HG23 VAL 35 5.970 8.453 -3.334 243 H VAL 36 H VAL 36 10.055 9.615 -5.228 244 HA VAL 36 HA VAL 36 12.601 8.312 -4.844 245 HB VAL 36 HB VAL 36 11.976 11.056 -6.022 246 1HG1 VAL 36 HG11 VAL 36 14.386 10.729 -5.588 247 2HG1 VAL 36 HG12 VAL 36 14.351 9.181 -6.459 248 3HG1 VAL 36 HG13 VAL 36 14.063 10.709 -7.322 249 1HG2 VAL 36 HG21 VAL 36 11.958 9.979 -8.229 250 2HG2 VAL 36 HG22 VAL 36 12.130 8.375 -7.473 251 3HG2 VAL 36 HG23 VAL 36 10.659 9.342 -7.237 252 H ILE 37 H ILE 37 14.181 8.787 -3.403 253 HA ILE 37 HA ILE 37 14.171 11.297 -1.849 254 HB ILE 37 HB ILE 37 14.538 8.453 -0.773 255 1HG1 ILE 37 HG12 ILE 37 12.499 10.597 0.008 256 2HG1 ILE 37 HG13 ILE 37 12.149 9.186 -0.995 257 1HG2 ILE 37 HG21 ILE 37 16.206 10.020 0.228 258 2HG2 ILE 37 HG22 ILE 37 14.878 11.089 0.731 259 3HG2 ILE 37 HG23 ILE 37 15.045 9.459 1.411 260 1HD1 ILE 37 HD11 ILE 37 12.887 9.146 1.940 261 2HD1 ILE 37 HD12 ILE 37 11.339 8.745 1.188 262 3HD1 ILE 37 HD13 ILE 37 12.741 7.699 0.896 263 H ASP 38 H ASP 38 16.319 12.047 -1.634 264 HA ASP 38 HA ASP 38 18.492 10.437 -2.906 265 1HB ASP 38 HB2 ASP 38 17.942 12.063 -4.553 266 2HB ASP 38 HB3 ASP 38 17.841 13.357 -3.352 267 H GLY 39 H GLY 39 19.649 9.866 -1.197 268 1HA GLY 39 HA2 GLY 39 19.780 11.424 1.261 269 2HA GLY 39 HA3 GLY 39 20.590 9.897 0.882 270 H GLY 40 H GLY 40 21.409 11.694 -1.754 271 1HA GLY 40 HA2 GLY 40 23.429 12.543 -2.409 272 2HA GLY 40 HA3 GLY 40 23.469 13.444 -0.878 273 H SER 41 H SER 41 25.628 13.023 -0.297 274 HA SER 41 HA SER 41 26.570 10.256 -0.225 275 1HB SER 41 HB2 SER 41 28.729 11.483 0.369 276 2HB SER 41 HB3 SER 41 28.003 11.761 -1.225 277 HG SER 41 HG SER 41 28.693 13.712 -0.142 278 H ALA 42 H ALA 42 24.565 11.779 1.827 279 HA ALA 42 HA ALA 42 25.662 10.393 4.193 280 1HB ALA 42 HB1 ALA 42 25.114 12.270 5.676 281 2HB ALA 42 HB2 ALA 42 26.391 12.712 4.521 282 3HB ALA 42 HB3 ALA 42 24.724 13.288 4.272 283 HA PRO 43 HA PRO 43 21.147 9.795 3.093 284 1HB PRO 43 HB2 PRO 43 21.049 7.085 2.957 285 2HB PRO 43 HB3 PRO 43 21.664 8.080 1.611 286 1HG PRO 43 HG2 PRO 43 23.316 6.742 3.786 287 2HG PRO 43 HG3 PRO 43 23.517 6.589 2.017 288 1HD PRO 43 HD2 PRO 43 24.969 8.384 3.434 289 2HD PRO 43 HD3 PRO 43 24.310 8.839 1.835 290 H GLU 44 H GLU 44 23.287 8.711 5.608 291 HA GLU 44 HA GLU 44 21.665 7.705 7.618 292 1HB GLU 44 HB2 GLU 44 24.028 7.900 7.864 293 2HB GLU 44 HB3 GLU 44 24.009 9.638 7.555 294 1HG GLU 44 HG2 GLU 44 22.976 10.108 9.667 295 2HG GLU 44 HG3 GLU 44 22.711 8.385 9.997 296 H ASN 45 H ASN 45 21.972 11.126 6.536 297 HA ASN 45 HA ASN 45 20.372 12.193 8.625 298 1HB ASN 45 HB2 ASN 45 20.741 14.197 7.643 299 2HB ASN 45 HB3 ASN 45 21.953 13.310 6.722 300 1HD2 ASN 45 HD22 ASN 45 21.323 12.585 4.477 301 2HD2 ASN 45 HD21 ASN 45 19.877 13.239 3.710 302 H ASP 46 H ASP 46 19.520 10.517 5.715 303 HA ASP 46 HA ASP 46 16.796 11.675 5.590 304 1HB ASP 46 HB2 ASP 46 18.644 10.379 3.632 305 2HB ASP 46 HB3 ASP 46 16.941 10.012 3.435 306 H ILE 47 H ILE 47 18.284 9.011 7.059 307 HA ILE 47 HA ILE 47 16.351 6.963 6.827 308 HB ILE 47 HB ILE 47 18.048 7.874 9.184 309 1HG1 ILE 47 HG12 ILE 47 18.397 5.570 7.206 310 2HG1 ILE 47 HG13 ILE 47 19.254 7.105 7.116 311 1HG2 ILE 47 HG21 ILE 47 16.567 5.226 8.914 312 2HG2 ILE 47 HG22 ILE 47 17.636 5.708 10.246 313 3HG2 ILE 47 HG23 ILE 47 16.110 6.540 10.017 314 1HD1 ILE 47 HD11 ILE 47 19.556 5.006 9.285 315 2HD1 ILE 47 HD12 ILE 47 20.750 5.538 8.095 316 3HD1 ILE 47 HD13 ILE 47 20.245 6.651 9.380 317 H VAL 48 H VAL 48 16.351 9.900 8.908 318 HA VAL 48 HA VAL 48 13.901 9.345 10.227 319 HB VAL 48 HB VAL 48 15.196 12.030 9.552 320 1HG1 VAL 48 HG11 VAL 48 13.173 11.307 11.725 321 2HG1 VAL 48 HG12 VAL 48 13.993 12.876 11.551 322 3HG1 VAL 48 HG13 VAL 48 12.865 12.333 10.307 323 1HG2 VAL 48 HG21 VAL 48 16.779 10.616 10.793 324 2HG2 VAL 48 HG22 VAL 48 16.157 11.880 11.849 325 3HG2 VAL 48 HG23 VAL 48 15.526 10.226 11.993 326 H ALA 49 H ALA 49 14.591 10.930 7.081 327 HA ALA 49 HA ALA 49 11.946 11.923 6.672 328 1HB ALA 49 HB1 ALA 49 14.080 11.261 4.600 329 2HB ALA 49 HB2 ALA 49 12.663 12.292 4.365 330 3HB ALA 49 HB3 ALA 49 13.948 12.807 5.480 331 H ILE 50 H ILE 50 13.670 9.005 5.564 332 HA ILE 50 HA ILE 50 11.585 7.754 4.129 333 HB ILE 50 HB ILE 50 13.863 6.602 5.799 334 1HG1 ILE 50 HG12 ILE 50 13.664 6.770 2.766 335 2HG1 ILE 50 HG13 ILE 50 14.350 8.086 3.705 336 1HG2 ILE 50 HG21 ILE 50 12.096 5.192 3.766 337 2HG2 ILE 50 HG22 ILE 50 13.540 4.494 4.525 338 3HG2 ILE 50 HG23 ILE 50 12.133 4.870 5.513 339 1HD1 ILE 50 HD11 ILE 50 16.152 6.771 2.941 340 2HD1 ILE 50 HD12 ILE 50 16.020 6.470 4.674 341 3HD1 ILE 50 HD13 ILE 50 15.427 5.257 3.512 342 H ARG 51 H ARG 51 12.351 7.643 7.681 343 HA ARG 51 HA ARG 51 10.183 5.825 8.182 344 1HB ARG 51 HB2 ARG 51 11.752 7.583 10.106 345 2HB ARG 51 HB3 ARG 51 10.481 6.456 10.590 346 1HG ARG 51 HG2 ARG 51 11.850 4.656 9.237 347 2HG ARG 51 HG3 ARG 51 13.172 5.815 9.367 348 1HD ARG 51 HD2 ARG 51 13.433 4.344 11.202 349 2HD ARG 51 HD3 ARG 51 12.763 5.837 11.884 350 HE ARG 51 HE ARG 51 10.839 3.736 11.074 351 1HH1 ARG 51 HH21 ARG 51 12.599 5.212 13.794 352 2HH1 ARG 51 HH22 ARG 51 11.637 4.459 15.010 353 1HH2 ARG 51 HH11 ARG 51 9.653 2.616 12.693 354 2HH2 ARG 51 HH12 ARG 51 9.890 2.999 14.367 355 H GLU 52 H GLU 52 10.051 9.331 7.726 356 HA GLU 52 HA GLU 52 7.599 9.755 9.124 357 1HB GLU 52 HB2 GLU 52 8.471 11.009 6.481 358 2HB GLU 52 HB3 GLU 52 7.153 11.556 7.511 359 1HG GLU 52 HG2 GLU 52 8.850 11.881 9.374 360 2HG GLU 52 HG3 GLU 52 10.107 11.594 8.165 361 H LEU 53 H LEU 53 8.306 7.998 6.152 362 HA LEU 53 HA LEU 53 5.521 8.007 5.286 363 1HB LEU 53 HB2 LEU 53 7.981 6.772 4.010 364 2HB LEU 53 HB3 LEU 53 6.413 7.010 3.250 365 HG LEU 53 HG LEU 53 8.344 9.207 4.127 366 1HD1 LEU 53 HD11 LEU 53 9.116 8.005 2.176 367 2HD1 LEU 53 HD12 LEU 53 7.540 8.193 1.375 368 3HD1 LEU 53 HD13 LEU 53 8.567 9.613 1.699 369 1HD2 LEU 53 HD21 LEU 53 5.639 9.447 2.742 370 2HD2 LEU 53 HD22 LEU 53 6.063 10.048 4.364 371 3HD2 LEU 53 HD23 LEU 53 6.817 10.765 2.942 372 H ARG 54 H ARG 54 7.395 6.076 7.318 373 HA ARG 54 HA ARG 54 7.679 3.823 7.712 374 1HB ARG 54 HB2 ARG 54 4.649 3.998 7.866 375 2HB ARG 54 HB3 ARG 54 5.674 2.835 8.699 376 1HG ARG 54 HG2 ARG 54 5.622 5.846 9.187 377 2HG ARG 54 HG3 ARG 54 4.806 4.642 10.156 378 1HD ARG 54 HD2 ARG 54 7.831 4.812 9.790 379 2HD ARG 54 HD3 ARG 54 6.951 5.492 11.154 380 HE ARG 54 HE ARG 54 7.860 2.823 10.817 381 1HH1 ARG 54 HH21 ARG 54 5.087 4.573 12.243 382 2HH1 ARG 54 HH22 ARG 54 4.757 3.343 13.406 383 1HH2 ARG 54 HH11 ARG 54 7.468 1.297 12.326 384 2HH2 ARG 54 HH12 ARG 54 6.122 1.377 13.444 385 HA PRO 55 HA PRO 55 6.453 2.936 3.277 386 1HB PRO 55 HB2 PRO 55 9.226 1.796 3.087 387 2HB PRO 55 HB3 PRO 55 8.334 2.819 1.920 388 1HG PRO 55 HG2 PRO 55 10.285 3.845 3.526 389 2HG PRO 55 HG3 PRO 55 8.800 4.778 3.159 390 1HD PRO 55 HD2 PRO 55 9.475 3.194 5.644 391 2HD PRO 55 HD3 PRO 55 8.706 4.786 5.491 392 H THR 56 H THR 56 5.930 1.044 2.146 393 HA THR 56 HA THR 56 5.806 -1.455 3.603 394 HB THR 56 HB THR 56 5.315 -0.976 0.641 395 HG1 THR 56 HG1 THR 56 3.607 -0.352 2.817 396 1HG2 THR 56 HG21 THR 56 3.563 -2.663 0.908 397 2HG2 THR 56 HG22 THR 56 5.126 -3.311 1.427 398 3HG2 THR 56 HG23 THR 56 3.931 -2.809 2.643 399 H ARG 57 H ARG 57 7.785 0.026 1.010 400 HA ARG 57 HA ARG 57 9.828 -2.060 1.398 401 1HB ARG 57 HB2 ARG 57 8.373 -3.011 -0.286 402 2HB ARG 57 HB3 ARG 57 8.433 -1.539 -1.256 403 1HG ARG 57 HG2 ARG 57 10.730 -1.927 -1.884 404 2HG ARG 57 HG3 ARG 57 10.949 -3.120 -0.603 405 1HD ARG 57 HD2 ARG 57 10.791 -4.282 -2.657 406 2HD ARG 57 HD3 ARG 57 9.342 -4.614 -1.682 407 HE ARG 57 HE ARG 57 8.864 -2.405 -3.449 408 1HH1 ARG 57 HH21 ARG 57 9.350 -5.933 -3.488 409 2HH1 ARG 57 HH22 ARG 57 8.575 -6.131 -5.042 410 1HH2 ARG 57 HH11 ARG 57 7.667 -2.650 -5.205 411 2HH2 ARG 57 HH12 ARG 57 7.356 -4.201 -5.969 412 H LEU 58 H LEU 58 11.866 -1.542 0.370 413 HA LEU 58 HA LEU 58 12.261 1.240 -0.538 414 1HB LEU 58 HB2 LEU 58 12.668 1.390 1.840 415 2HB LEU 58 HB3 LEU 58 13.537 -0.143 1.840 416 HG LEU 58 HG LEU 58 15.426 0.824 0.693 417 1HD1 LEU 58 HD11 LEU 58 14.155 3.580 0.953 418 2HD1 LEU 58 HD12 LEU 58 15.709 3.141 0.237 419 3HD1 LEU 58 HD13 LEU 58 14.224 2.687 -0.582 420 1HD2 LEU 58 HD21 LEU 58 15.291 0.906 3.182 421 2HD2 LEU 58 HD22 LEU 58 16.224 2.261 2.528 422 3HD2 LEU 58 HD23 LEU 58 14.553 2.510 3.079 423 H LEU 59 H LEU 59 13.816 1.394 -2.087 424 HA LEU 59 HA LEU 59 15.685 -0.877 -2.545 425 1HB LEU 59 HB2 LEU 59 14.082 -0.905 -4.414 426 2HB LEU 59 HB3 LEU 59 14.265 0.844 -4.617 427 HG LEU 59 HG LEU 59 16.624 0.563 -5.293 428 1HD1 LEU 59 HD11 LEU 59 17.510 -1.679 -5.844 429 2HD1 LEU 59 HD12 LEU 59 17.214 -1.529 -4.118 430 3HD1 LEU 59 HD13 LEU 59 16.066 -2.431 -5.136 431 1HD2 LEU 59 HD21 LEU 59 16.230 -0.394 -7.490 432 2HD2 LEU 59 HD22 LEU 59 14.741 -1.177 -6.922 433 3HD2 LEU 59 HD23 LEU 59 14.850 0.595 -7.001 434 H ILE 60 H ILE 60 17.778 -0.138 -2.523 435 HA ILE 60 HA ILE 60 18.228 2.805 -2.483 436 HB ILE 60 HB ILE 60 19.872 0.621 -1.196 437 1HG1 ILE 60 HG12 ILE 60 17.976 2.399 0.380 438 2HG1 ILE 60 HG13 ILE 60 17.501 0.802 -0.182 439 1HG2 ILE 60 HG21 ILE 60 21.100 2.726 -1.593 440 2HG2 ILE 60 HG22 ILE 60 19.812 3.656 -0.813 441 3HG2 ILE 60 HG23 ILE 60 20.819 2.555 0.136 442 1HD1 ILE 60 HD11 ILE 60 19.831 1.302 1.676 443 2HD1 ILE 60 HD12 ILE 60 18.235 0.652 2.090 444 3HD1 ILE 60 HD13 ILE 60 19.303 -0.266 1.013 445 H VAL 61 H VAL 61 20.032 3.596 -3.740 446 HA VAL 61 HA VAL 61 21.394 1.617 -5.488 447 HB VAL 61 HB VAL 61 19.964 4.105 -6.500 448 1HG1 VAL 61 HG11 VAL 61 21.576 1.938 -7.911 449 2HG1 VAL 61 HG12 VAL 61 20.535 3.093 -8.763 450 3HG1 VAL 61 HG13 VAL 61 21.922 3.678 -7.851 451 1HG2 VAL 61 HG21 VAL 61 18.485 2.534 -7.747 452 2HG2 VAL 61 HG22 VAL 61 19.196 1.184 -6.839 453 3HG2 VAL 61 HG23 VAL 61 18.266 2.441 -6.001 454 H ASP 62 H ASP 62 23.472 2.064 -5.843 455 HA ASP 62 HA ASP 62 24.644 4.678 -5.950 456 1HB ASP 62 HB2 ASP 62 24.552 4.316 -3.480 457 2HB ASP 62 HB3 ASP 62 25.494 2.840 -3.685 458 H ALA 63 H ALA 63 27.157 4.207 -6.263 459 HA ALA 63 HA ALA 63 27.556 1.932 -8.064 460 1HB ALA 63 HB1 ALA 63 29.509 3.969 -6.894 461 2HB ALA 63 HB2 ALA 63 29.884 2.769 -8.150 462 3HB ALA 63 HB3 ALA 63 28.727 4.067 -8.493 463 H THR 64 H THR 64 29.106 0.201 -7.527 464 HA THR 64 HA THR 64 30.037 -0.083 -4.764 465 HB THR 64 HB THR 64 28.230 -2.227 -5.968 466 HG1 THR 64 HG1 THR 64 27.568 0.013 -4.499 467 1HG2 THR 64 HG21 THR 64 29.332 -1.773 -3.168 468 2HG2 THR 64 HG22 THR 64 28.147 -3.023 -3.598 469 3HG2 THR 64 HG23 THR 64 29.773 -3.077 -4.293 470 H ASP 65 H ASP 65 31.992 -1.308 -4.830 471 HA ASP 65 HA ASP 65 32.882 -2.114 -7.518 472 1HB ASP 65 HB2 ASP 65 34.473 -0.921 -6.148 473 2HB ASP 65 HB3 ASP 65 34.352 -2.144 -4.869 474 H MET 66 H MET 66 31.443 -3.795 -7.966 475 HA MET 66 HA MET 66 31.270 -6.170 -6.301 476 1HB MET 66 HB2 MET 66 30.440 -5.543 -9.179 477 2HB MET 66 HB3 MET 66 30.184 -7.096 -8.380 478 1HG MET 66 HG2 MET 66 28.208 -6.291 -7.774 479 2HG MET 66 HG3 MET 66 29.114 -5.501 -6.493 480 1HE MET 66 HE1 MET 66 27.175 -5.210 -9.801 481 2HE MET 66 HE2 MET 66 27.223 -3.481 -10.182 482 3HE MET 66 HE3 MET 66 28.681 -4.469 -10.405 483 H GLY 67 H GLY 67 33.781 -4.931 -8.287 484 1HA GLY 67 HA2 GLY 67 35.726 -5.874 -9.039 485 2HA GLY 67 HA3 GLY 67 35.270 -7.433 -8.323 486 H LEU 68 H LEU 68 33.092 -5.699 -10.489 487 HA LEU 68 HA LEU 68 33.323 -7.878 -12.521 488 1HB LEU 68 HB2 LEU 68 31.119 -5.872 -11.881 489 2HB LEU 68 HB3 LEU 68 31.049 -7.006 -13.224 490 HG LEU 68 HG LEU 68 31.258 -7.856 -10.332 491 1HD1 LEU 68 HD11 LEU 68 28.852 -7.830 -12.205 492 2HD1 LEU 68 HD12 LEU 68 28.881 -8.466 -10.546 493 3HD1 LEU 68 HD13 LEU 68 29.094 -6.732 -10.836 494 1HD2 LEU 68 HD21 LEU 68 30.589 -10.077 -11.184 495 2HD2 LEU 68 HD22 LEU 68 30.646 -9.470 -12.854 496 3HD2 LEU 68 HD23 LEU 68 32.126 -9.572 -11.880 497 H ASN 69 H ASN 69 32.287 -6.741 -14.682 498 HA ASN 69 HA ASN 69 34.332 -4.947 -15.760 499 1HB ASN 69 HB2 ASN 69 33.126 -6.708 -17.112 500 2HB ASN 69 HB3 ASN 69 31.629 -5.792 -16.918 501 1HD2 ASN 69 HD22 ASN 69 31.577 -3.490 -17.934 502 2HD2 ASN 69 HD21 ASN 69 32.595 -3.262 -19.324 503 HA PRO 70 HA PRO 70 32.356 -1.071 -14.419 504 1HB PRO 70 HB2 PRO 70 33.019 -0.340 -17.283 505 2HB PRO 70 HB3 PRO 70 33.109 0.683 -15.816 506 1HG PRO 70 HG2 PRO 70 35.352 -0.495 -16.736 507 2HG PRO 70 HG3 PRO 70 34.987 -0.585 -14.981 508 1HD PRO 70 HD2 PRO 70 34.566 -2.708 -17.087 509 2HD PRO 70 HD3 PRO 70 35.175 -2.878 -15.412 510 H GLY 71 H GLY 71 30.280 -0.316 -14.419 511 1HA GLY 71 HA2 GLY 71 28.179 0.193 -15.172 512 2HA GLY 71 HA3 GLY 71 28.613 -0.358 -16.795 513 H GLU 72 H GLU 72 29.368 -2.977 -14.758 514 HA GLU 72 HA GLU 72 26.950 -4.442 -15.331 515 1HB GLU 72 HB2 GLU 72 29.425 -4.872 -13.628 516 2HB GLU 72 HB3 GLU 72 28.039 -5.912 -13.387 517 1HG GLU 72 HG2 GLU 72 29.076 -5.498 -16.204 518 2HG GLU 72 HG3 GLU 72 29.892 -6.612 -15.112 519 H ILE 73 H ILE 73 25.445 -5.159 -13.776 520 HA ILE 73 HA ILE 73 24.906 -3.311 -11.506 521 HB ILE 73 HB ILE 73 23.057 -4.322 -13.704 522 1HG1 ILE 73 HG12 ILE 73 24.005 -1.484 -13.170 523 2HG1 ILE 73 HG13 ILE 73 24.520 -2.520 -14.496 524 1HG2 ILE 73 HG21 ILE 73 21.302 -2.921 -12.617 525 2HG2 ILE 73 HG22 ILE 73 21.853 -4.205 -11.567 526 3HG2 ILE 73 HG23 ILE 73 22.460 -2.557 -11.309 527 1HD1 ILE 73 HD11 ILE 73 21.736 -1.381 -14.140 528 2HD1 ILE 73 HD12 ILE 73 22.933 -0.986 -15.377 529 3HD1 ILE 73 HD13 ILE 73 22.193 -2.591 -15.366 530 H ARG 74 H ARG 74 24.205 -4.457 -9.637 531 HA ARG 74 HA ARG 74 23.172 -7.221 -9.980 532 1HB ARG 74 HB2 ARG 74 25.555 -6.534 -8.217 533 2HB ARG 74 HB3 ARG 74 24.631 -8.035 -8.137 534 1HG ARG 74 HG2 ARG 74 26.181 -7.128 -10.588 535 2HG ARG 74 HG3 ARG 74 26.788 -8.231 -9.357 536 1HD ARG 74 HD2 ARG 74 24.993 -9.837 -9.856 537 2HD ARG 74 HD3 ARG 74 24.338 -8.758 -11.087 538 HE ARG 74 HE ARG 74 26.698 -10.492 -11.280 539 1HH1 ARG 74 HH21 ARG 74 25.053 -7.684 -12.792 540 2HH1 ARG 74 HH22 ARG 74 25.981 -7.817 -14.265 541 1HH2 ARG 74 HH11 ARG 74 27.777 -10.661 -13.166 542 2HH2 ARG 74 HH12 ARG 74 27.624 -9.466 -14.469 543 H ILE 75 H ILE 75 21.856 -7.883 -8.249 544 HA ILE 75 HA ILE 75 20.892 -5.757 -6.417 545 HB ILE 75 HB ILE 75 20.100 -8.695 -6.706 546 1HG1 ILE 75 HG12 ILE 75 19.427 -7.577 -8.720 547 2HG1 ILE 75 HG13 ILE 75 18.003 -7.882 -7.737 548 1HG2 ILE 75 HG21 ILE 75 18.065 -8.027 -5.390 549 2HG2 ILE 75 HG22 ILE 75 19.561 -7.962 -4.461 550 3HG2 ILE 75 HG23 ILE 75 18.844 -6.462 -5.070 551 1HD1 ILE 75 HD11 ILE 75 19.428 -5.204 -8.005 552 2HD1 ILE 75 HD12 ILE 75 17.901 -5.669 -8.768 553 3HD1 ILE 75 HD13 ILE 75 17.981 -5.503 -7.001 554 H ILE 76 H ILE 76 21.286 -5.831 -4.144 555 HA ILE 76 HA ILE 76 23.157 -7.883 -3.145 556 HB ILE 76 HB ILE 76 23.715 -5.101 -2.243 557 1HG1 ILE 76 HG12 ILE 76 24.767 -6.068 -4.934 558 2HG1 ILE 76 HG13 ILE 76 23.675 -4.699 -4.669 559 1HG2 ILE 76 HG21 ILE 76 25.985 -6.028 -1.965 560 2HG2 ILE 76 HG22 ILE 76 24.858 -7.219 -1.355 561 3HG2 ILE 76 HG23 ILE 76 25.557 -7.437 -2.955 562 1HD1 ILE 76 HD11 ILE 76 25.902 -3.878 -5.038 563 2HD1 ILE 76 HD12 ILE 76 25.427 -3.533 -3.364 564 3HD1 ILE 76 HD13 ILE 76 26.564 -4.856 -3.740 565 H ASP 77 H ASP 77 23.286 -7.674 -0.671 566 HA ASP 77 HA ASP 77 20.638 -7.123 0.550 567 1HB ASP 77 HB2 ASP 77 20.638 -9.434 -0.294 568 2HB ASP 77 HB3 ASP 77 22.226 -9.732 0.408 569 HA PRO 78 HA PRO 78 23.256 -5.405 3.628 570 1HB PRO 78 HB2 PRO 78 22.052 -6.175 6.054 571 2HB PRO 78 HB3 PRO 78 21.602 -4.786 5.024 572 1HG PRO 78 HG2 PRO 78 20.426 -7.581 5.033 573 2HG PRO 78 HG3 PRO 78 19.550 -6.019 5.013 574 1HD PRO 78 HD2 PRO 78 19.875 -7.348 2.730 575 2HD PRO 78 HD3 PRO 78 20.222 -5.601 2.735 576 H ASP 79 H ASP 79 22.736 -8.901 3.898 577 HA ASP 79 HA ASP 79 24.791 -9.380 5.877 578 1HB ASP 79 HB2 ASP 79 22.974 -10.978 5.370 579 2HB ASP 79 HB3 ASP 79 23.621 -11.200 3.740 580 H ASP 80 H ASP 80 24.887 -8.606 2.497 581 HA ASP 80 HA ASP 80 27.685 -9.621 2.201 582 1HB ASP 80 HB2 ASP 80 25.971 -10.790 0.866 583 2HB ASP 80 HB3 ASP 80 25.483 -9.254 0.145 584 H ILE 81 H ILE 81 25.501 -6.893 1.649 585 HA ILE 81 HA ILE 81 27.178 -5.019 0.379 586 HB ILE 81 HB ILE 81 25.042 -4.816 2.521 587 1HG1 ILE 81 HG12 ILE 81 25.028 -3.980 -0.419 588 2HG1 ILE 81 HG13 ILE 81 24.496 -5.549 0.166 589 1HG2 ILE 81 HG21 ILE 81 26.141 -2.372 1.093 590 2HG2 ILE 81 HG22 ILE 81 24.832 -2.424 2.275 591 3HG2 ILE 81 HG23 ILE 81 26.479 -2.771 2.785 592 1HD1 ILE 81 HD11 ILE 81 23.199 -2.881 0.663 593 2HD1 ILE 81 HD12 ILE 81 22.519 -4.361 -0.058 594 3HD1 ILE 81 HD13 ILE 81 22.841 -4.306 1.672 595 H ALA 82 H ALA 82 27.087 -6.071 3.755 596 HA ALA 82 HA ALA 82 28.708 -4.154 4.934 597 1HB ALA 82 HB1 ALA 82 29.104 -5.883 6.671 598 2HB ALA 82 HB2 ALA 82 27.406 -5.895 6.146 599 3HB ALA 82 HB3 ALA 82 28.536 -7.137 5.546 600 H GLU 83 H GLU 83 29.717 -6.823 2.860 601 HA GLU 83 HA GLU 83 32.593 -6.228 3.445 602 1HB GLU 83 HB2 GLU 83 31.299 -8.563 1.971 603 2HB GLU 83 HB3 GLU 83 33.029 -8.331 2.200 604 1HG GLU 83 HG2 GLU 83 30.958 -8.822 4.384 605 2HG GLU 83 HG3 GLU 83 32.132 -9.977 3.776 606 H MET 84 H MET 84 30.144 -6.535 0.872 607 HA MET 84 HA MET 84 32.008 -6.068 -1.229 608 1HB MET 84 HB2 MET 84 28.963 -6.004 -1.155 609 2HB MET 84 HB3 MET 84 29.887 -5.723 -2.634 610 1HG MET 84 HG2 MET 84 30.174 -8.208 -0.903 611 2HG MET 84 HG3 MET 84 29.172 -8.085 -2.341 612 1HE MET 84 HE1 MET 84 31.950 -10.440 -3.642 613 2HE MET 84 HE2 MET 84 31.216 -10.411 -2.023 614 3HE MET 84 HE3 MET 84 30.204 -10.157 -3.461 615 H PHE 85 H PHE 85 30.146 -3.732 0.682 616 HA PHE 85 HA PHE 85 30.657 -1.559 -1.174 617 1HB PHE 85 HB2 PHE 85 29.524 -1.801 1.575 618 2HB PHE 85 HB3 PHE 85 30.431 -0.333 1.256 619 HD1 PHE 85 HD1 PHE 85 27.902 -2.521 -0.502 620 HD2 PHE 85 HD2 PHE 85 29.325 1.468 0.320 621 HE1 PHE 85 HE1 PHE 85 26.240 -1.583 -2.105 622 HE2 PHE 85 HE2 PHE 85 27.694 2.386 -1.313 623 HZ PHE 85 HZ PHE 85 26.213 0.856 -2.565 624 H MET 86 H MET 86 32.361 -2.721 1.762 625 HA MET 86 HA MET 86 34.464 -0.751 1.287 626 1HB MET 86 HB2 MET 86 35.500 -1.519 3.275 627 2HB MET 86 HB3 MET 86 33.793 -1.211 3.558 628 1HG MET 86 HG2 MET 86 33.305 -3.634 3.422 629 2HG MET 86 HG3 MET 86 35.007 -3.979 3.125 630 1HE MET 86 HE1 MET 86 36.631 -2.166 5.186 631 2HE MET 86 HE2 MET 86 36.719 -3.302 6.545 632 3HE MET 86 HE3 MET 86 36.900 -3.898 4.881 633 H MET 87 H MET 87 33.822 -3.386 -0.494 634 HA MET 87 HA MET 87 36.387 -4.616 -0.795 635 1HB MET 87 HB2 MET 87 34.203 -5.406 -1.790 636 2HB MET 87 HB3 MET 87 34.277 -4.043 -2.920 637 1HG MET 87 HG2 MET 87 35.039 -6.055 -4.001 638 2HG MET 87 HG3 MET 87 36.385 -4.931 -3.849 639 1HE MET 87 HE1 MET 87 38.111 -8.444 -3.679 640 2HE MET 87 HE2 MET 87 36.690 -7.988 -4.645 641 3HE MET 87 HE3 MET 87 38.059 -6.864 -4.489 642 H THR 88 H THR 88 35.034 -1.510 -1.733 643 HA THR 88 HA THR 88 37.006 -0.484 -3.494 644 HB THR 88 HB THR 88 36.143 1.703 -2.556 645 HG1 THR 88 HG1 THR 88 34.229 0.294 -1.060 646 1HG2 THR 88 HG21 THR 88 34.898 0.666 -4.400 647 2HG2 THR 88 HG22 THR 88 33.930 -0.283 -3.246 648 3HG2 THR 88 HG23 THR 88 33.812 1.490 -3.270 649 H THR 89 H THR 89 37.303 -1.399 -0.167 650 HA THR 89 HA THR 89 38.591 -0.928 1.549 651 HB THR 89 HB THR 89 40.747 0.067 -0.341 652 HG1 THR 89 HG1 THR 89 39.768 -1.885 -1.114 653 1HG2 THR 89 HG21 THR 89 41.347 0.095 2.068 654 2HG2 THR 89 HG22 THR 89 40.845 -1.600 2.224 655 3HG2 THR 89 HG23 THR 89 42.244 -1.163 1.217 656 H HIS 90 H HIS 90 36.651 1.056 0.675 657 HA HIS 90 HA HIS 90 37.759 3.481 1.966 658 1HB HIS 90 HB2 HIS 90 38.371 3.620 -0.428 659 2HB HIS 90 HB3 HIS 90 36.690 3.356 -0.880 660 HD1 HIS 90 HD1 HIS 90 38.816 6.044 0.977 661 HD2 HIS 90 HD2 HIS 90 35.164 5.497 -1.054 662 HE1 HIS 90 HE1 HIS 90 37.763 8.350 0.761 663 H ASN 91 H ASN 91 34.883 2.202 0.133 664 HA ASN 91 HA ASN 91 33.192 4.231 1.216 665 1HB ASN 91 HB2 ASN 91 32.968 2.820 -0.984 666 2HB ASN 91 HB3 ASN 91 32.123 1.653 0.039 667 1HD2 ASN 91 HD22 ASN 91 30.773 2.825 -2.094 668 2HD2 ASN 91 HD21 ASN 91 29.604 3.974 -1.504 669 H MET 92 H MET 92 31.321 3.942 2.596 670 HA MET 92 HA MET 92 31.994 2.501 5.016 671 1HB MET 92 HB2 MET 92 29.498 4.048 4.179 672 2HB MET 92 HB3 MET 92 29.755 3.371 5.790 673 1HG MET 92 HG2 MET 92 31.519 5.469 4.471 674 2HG MET 92 HG3 MET 92 30.283 5.773 5.688 675 1HE MET 92 HE1 MET 92 33.632 6.524 7.588 676 2HE MET 92 HE2 MET 92 33.297 6.807 5.866 677 3HE MET 92 HE3 MET 92 32.051 7.159 7.084 678 HA PRO 93 HA PRO 93 29.716 -1.237 3.954 679 1HB PRO 93 HB2 PRO 93 29.475 -2.426 6.387 680 2HB PRO 93 HB3 PRO 93 31.063 -2.194 5.599 681 1HG PRO 93 HG2 PRO 93 29.786 -0.449 7.727 682 2HG PRO 93 HG3 PRO 93 31.448 -1.121 7.692 683 1HD PRO 93 HD2 PRO 93 30.838 1.421 6.834 684 2HD PRO 93 HD3 PRO 93 32.150 0.450 6.096 685 H LEU 94 H LEU 94 28.014 0.289 3.287 686 HA LEU 94 HA LEU 94 26.226 1.577 4.800 687 1HB LEU 94 HB2 LEU 94 26.552 0.963 2.016 688 2HB LEU 94 HB3 LEU 94 24.833 0.871 2.381 689 HG LEU 94 HG LEU 94 26.626 3.204 3.192 690 1HD1 LEU 94 HD11 LEU 94 25.654 4.441 1.308 691 2HD1 LEU 94 HD12 LEU 94 26.538 3.022 0.747 692 3HD1 LEU 94 HD13 LEU 94 24.762 2.989 0.787 693 1HD2 LEU 94 HD21 LEU 94 23.579 2.971 3.071 694 2HD2 LEU 94 HD22 LEU 94 24.557 3.061 4.547 695 3HD2 LEU 94 HD23 LEU 94 24.492 4.446 3.461 696 H ASN 95 H ASN 95 26.103 -1.754 4.850 697 HA ASN 95 HA ASN 95 23.353 -2.266 5.278 698 1HB ASN 95 HB2 ASN 95 23.947 -4.258 6.168 699 2HB ASN 95 HB3 ASN 95 25.431 -3.924 5.289 700 1HD2 ASN 95 HD22 ASN 95 27.031 -2.375 6.985 701 2HD2 ASN 95 HD21 ASN 95 27.184 -3.185 8.514 702 H TYR 96 H TYR 96 25.620 -0.379 7.240 703 HA TYR 96 HA TYR 96 24.276 -0.498 9.714 704 1HB TYR 96 HB2 TYR 96 25.481 1.410 10.332 705 2HB TYR 96 HB3 TYR 96 26.535 0.563 9.219 706 HD1 TYR 96 HD1 TYR 96 24.335 3.521 9.698 707 HD2 TYR 96 HD2 TYR 96 27.210 1.631 7.103 708 HE1 TYR 96 HE1 TYR 96 24.427 5.572 8.322 709 HE2 TYR 96 HE2 TYR 96 27.314 3.684 5.721 710 HH TYR 96 HH TYR 96 26.516 5.861 5.414 711 H LEU 97 H LEU 97 23.468 1.344 6.764 712 HA LEU 97 HA LEU 97 21.399 2.949 8.067 713 1HB LEU 97 HB2 LEU 97 22.573 3.791 6.139 714 2HB LEU 97 HB3 LEU 97 22.125 2.405 5.153 715 HG LEU 97 HG LEU 97 19.845 3.949 6.352 716 1HD1 LEU 97 HD11 LEU 97 21.502 5.036 4.048 717 2HD1 LEU 97 HD12 LEU 97 19.953 5.696 4.638 718 3HD1 LEU 97 HD13 LEU 97 21.387 5.757 5.669 719 1HD2 LEU 97 HD21 LEU 97 19.393 2.055 4.798 720 2HD2 LEU 97 HD22 LEU 97 18.861 3.584 4.100 721 3HD2 LEU 97 HD23 LEU 97 20.375 2.845 3.550 722 H ILE 98 H ILE 98 21.564 0.020 6.022 723 HA ILE 98 HA ILE 98 18.774 -0.363 5.740 724 HB ILE 98 HB ILE 98 21.046 -2.390 5.720 725 1HG1 ILE 98 HG12 ILE 98 19.650 -0.925 3.433 726 2HG1 ILE 98 HG13 ILE 98 21.245 -0.507 4.058 727 1HG2 ILE 98 HG21 ILE 98 19.417 -3.770 4.316 728 2HG2 ILE 98 HG22 ILE 98 18.987 -3.614 6.012 729 3HG2 ILE 98 HG23 ILE 98 18.152 -2.634 4.800 730 1HD1 ILE 98 HD11 ILE 98 21.648 -1.737 2.112 731 2HD1 ILE 98 HD12 ILE 98 22.023 -2.839 3.444 732 3HD1 ILE 98 HD13 ILE 98 20.500 -3.012 2.533 733 H ASP 99 H ASP 99 21.059 -1.565 8.271 734 HA ASP 99 HA ASP 99 19.214 -3.187 9.616 735 1HB ASP 99 HB2 ASP 99 21.627 -3.219 10.037 736 2HB ASP 99 HB3 ASP 99 21.570 -1.574 10.679 737 H GLN 100 H GLN 100 19.400 0.305 9.580 738 HA GLN 100 HA GLN 100 17.790 0.623 12.038 739 1HB GLN 100 HB2 GLN 100 18.958 2.611 10.043 740 2HB GLN 100 HB3 GLN 100 17.983 3.075 11.439 741 1HG GLN 100 HG2 GLN 100 19.596 2.131 12.991 742 2HG GLN 100 HG3 GLN 100 20.562 1.468 11.674 743 1HE2 GLN 100 HE22 GLN 100 22.026 2.778 10.596 744 2HE2 GLN 100 HE21 GLN 100 22.298 4.474 10.999 745 H LEU 101 H LEU 101 17.072 -0.205 8.861 746 HA LEU 101 HA LEU 101 14.359 1.057 8.988 747 1HB LEU 101 HB2 LEU 101 16.279 0.764 6.649 748 2HB LEU 101 HB3 LEU 101 14.570 1.120 6.444 749 HG LEU 101 HG LEU 101 16.474 2.892 8.038 750 1HD1 LEU 101 HD11 LEU 101 17.117 2.814 5.675 751 2HD1 LEU 101 HD12 LEU 101 15.457 3.212 5.190 752 3HD1 LEU 101 HD13 LEU 101 16.433 4.392 6.094 753 1HD2 LEU 101 HD21 LEU 101 13.609 3.305 7.060 754 2HD2 LEU 101 HD22 LEU 101 14.168 3.247 8.743 755 3HD2 LEU 101 HD23 LEU 101 14.635 4.597 7.703 756 H LYS 102 H LYS 102 16.258 -1.822 8.178 757 HA LYS 102 HA LYS 102 14.179 -3.282 6.955 758 1HB LYS 102 HB2 LYS 102 15.571 -5.159 7.153 759 2HB LYS 102 HB3 LYS 102 16.667 -3.783 7.005 760 1HG LYS 102 HG2 LYS 102 17.008 -3.839 9.494 761 2HG LYS 102 HG3 LYS 102 16.012 -5.308 9.557 762 1HD LYS 102 HD2 LYS 102 17.588 -6.422 7.951 763 2HD LYS 102 HD3 LYS 102 18.566 -4.957 7.922 764 1HE LYS 102 HE2 LYS 102 19.676 -6.452 9.378 765 2HE LYS 102 HE3 LYS 102 18.963 -5.199 10.392 766 1HZ LYS 102 HZ1 LYS 102 18.620 -7.402 11.313 767 2HZ LYS 102 HZ2 LYS 102 17.171 -6.761 10.941 768 3HZ LYS 102 HZ3 LYS 102 17.834 -7.914 9.984 769 H GLU 103 H GLU 103 14.633 -2.505 10.330 770 HA GLU 103 HA GLU 103 12.787 -4.502 11.314 771 1HB GLU 103 HB2 GLU 103 13.917 -1.989 12.616 772 2HB GLU 103 HB3 GLU 103 13.009 -3.265 13.440 773 1HG GLU 103 HG2 GLU 103 14.800 -4.903 12.689 774 2HG GLU 103 HG3 GLU 103 15.758 -3.517 12.160 775 H ASP 104 H ASP 104 12.317 -1.677 9.495 776 HA ASP 104 HA ASP 104 9.664 -1.071 10.728 777 1HB ASP 104 HB2 ASP 104 11.589 0.503 11.276 778 2HB ASP 104 HB3 ASP 104 11.646 0.917 9.559 779 H ILE 105 H ILE 105 11.158 -2.178 7.956 780 HA ILE 105 HA ILE 105 9.012 -1.236 6.140 781 HB ILE 105 HB ILE 105 12.022 -1.308 5.625 782 1HG1 ILE 105 HG12 ILE 105 10.020 0.986 5.712 783 2HG1 ILE 105 HG13 ILE 105 11.366 0.710 6.815 784 1HG2 ILE 105 HG21 ILE 105 9.781 -0.709 3.652 785 2HG2 ILE 105 HG22 ILE 105 11.525 -0.593 3.319 786 3HG2 ILE 105 HG23 ILE 105 10.833 -2.151 3.658 787 1HD1 ILE 105 HD11 ILE 105 12.055 2.450 5.390 788 2HD1 ILE 105 HD12 ILE 105 12.936 1.012 4.830 789 3HD1 ILE 105 HD13 ILE 105 11.522 1.612 3.931 790 H GLY 106 H GLY 106 8.394 -2.863 4.627 791 1HA GLY 106 HA2 GLY 106 8.510 -5.492 5.740 792 2HA GLY 106 HA3 GLY 106 7.727 -4.989 4.233 793 H GLU 107 H GLU 107 10.089 -3.983 2.821 794 HA GLU 107 HA GLU 107 11.929 -6.276 2.637 795 1HB GLU 107 HB2 GLU 107 10.026 -6.780 1.189 796 2HB GLU 107 HB3 GLU 107 10.052 -5.154 0.500 797 1HG GLU 107 HG2 GLU 107 12.027 -5.551 -0.693 798 2HG GLU 107 HG3 GLU 107 12.442 -6.991 0.242 799 H VAL 108 H VAL 108 14.000 -5.422 2.345 800 HA VAL 108 HA VAL 108 14.243 -2.661 1.289 801 HB VAL 108 HB VAL 108 15.736 -3.758 3.700 802 1HG1 VAL 108 HG11 VAL 108 16.534 -1.327 3.812 803 2HG1 VAL 108 HG12 VAL 108 17.172 -2.260 2.450 804 3HG1 VAL 108 HG13 VAL 108 15.851 -1.113 2.188 805 1HG2 VAL 108 HG21 VAL 108 13.579 -1.635 3.555 806 2HG2 VAL 108 HG22 VAL 108 13.465 -3.213 4.361 807 3HG2 VAL 108 HG23 VAL 108 14.578 -1.984 4.979 808 H ILE 109 H ILE 109 15.542 -2.654 -0.405 809 HA ILE 109 HA ILE 109 17.384 -4.958 -0.912 810 HB ILE 109 HB ILE 109 15.446 -3.522 -2.778 811 1HG1 ILE 109 HG12 ILE 109 15.277 -6.486 -2.160 812 2HG1 ILE 109 HG13 ILE 109 14.553 -5.353 -1.033 813 1HG2 ILE 109 HG21 ILE 109 17.332 -5.860 -3.332 814 2HG2 ILE 109 HG22 ILE 109 16.053 -5.336 -4.439 815 3HG2 ILE 109 HG23 ILE 109 17.386 -4.251 -4.089 816 1HD1 ILE 109 HD11 ILE 109 12.930 -6.156 -2.676 817 2HD1 ILE 109 HD12 ILE 109 13.124 -4.397 -2.672 818 3HD1 ILE 109 HD13 ILE 109 13.856 -5.398 -3.975 819 H PHE 110 H PHE 110 19.151 -4.411 -2.409 820 HA PHE 110 HA PHE 110 19.696 -1.519 -2.742 821 1HB PHE 110 HB2 PHE 110 20.949 -2.756 -0.779 822 2HB PHE 110 HB3 PHE 110 21.890 -3.485 -2.077 823 HD1 PHE 110 HD1 PHE 110 21.568 -0.705 0.132 824 HD2 PHE 110 HD2 PHE 110 23.074 -1.803 -3.754 825 HE1 PHE 110 HE1 PHE 110 22.906 1.373 0.060 826 HE2 PHE 110 HE2 PHE 110 24.281 0.347 -3.892 827 HZ PHE 110 HZ PHE 110 24.186 1.954 -1.981 828 H LEU 111 H LEU 111 20.726 -1.098 -4.746 829 HA LEU 111 HA LEU 111 21.463 -3.416 -6.457 830 1HB LEU 111 HB2 LEU 111 19.373 -2.576 -7.261 831 2HB LEU 111 HB3 LEU 111 19.909 -0.900 -7.173 832 HG LEU 111 HG LEU 111 21.458 -2.814 -8.916 833 1HD1 LEU 111 HD11 LEU 111 19.121 -3.266 -9.502 834 2HD1 LEU 111 HD12 LEU 111 18.799 -1.516 -9.651 835 3HD1 LEU 111 HD13 LEU 111 19.883 -2.338 -10.797 836 1HD2 LEU 111 HD21 LEU 111 22.295 -0.480 -8.759 837 2HD2 LEU 111 HD22 LEU 111 21.662 -0.769 -10.365 838 3HD2 LEU 111 HD23 LEU 111 20.689 0.136 -9.200 839 H GLY 112 H GLY 112 23.536 -3.268 -7.079 840 1HA GLY 112 HA2 GLY 112 25.020 -0.722 -6.560 841 2HA GLY 112 HA3 GLY 112 25.721 -2.332 -6.484 842 H ILE 113 H ILE 113 26.586 -0.150 -8.124 843 HA ILE 113 HA ILE 113 26.350 -1.370 -10.825 844 HB ILE 113 HB ILE 113 26.399 1.587 -10.092 845 1HG1 ILE 113 HG12 ILE 113 24.217 0.068 -11.592 846 2HG1 ILE 113 HG13 ILE 113 24.160 0.389 -9.860 847 1HG2 ILE 113 HG21 ILE 113 27.758 1.185 -12.101 848 2HG2 ILE 113 HG22 ILE 113 26.441 0.254 -12.838 849 3HG2 ILE 113 HG23 ILE 113 26.277 2.004 -12.547 850 1HD1 ILE 113 HD11 ILE 113 24.342 2.810 -10.281 851 2HD1 ILE 113 HD12 ILE 113 24.165 2.497 -12.029 852 3HD1 ILE 113 HD13 ILE 113 22.859 2.070 -10.910 853 H GLN 114 H GLN 114 28.376 -1.918 -11.565 854 HA GLN 114 HA GLN 114 30.665 -1.632 -9.926 855 1HB GLN 114 HB2 GLN 114 30.351 -3.476 -11.484 856 2HB GLN 114 HB3 GLN 114 30.367 -2.370 -12.856 857 1HG GLN 114 HG2 GLN 114 32.500 -3.502 -12.631 858 2HG GLN 114 HG3 GLN 114 32.725 -1.787 -12.387 859 1HE2 GLN 114 HE22 GLN 114 34.185 -1.392 -10.728 860 2HE2 GLN 114 HE21 GLN 114 34.419 -2.474 -9.338 861 HA PRO 115 HA PRO 115 31.856 2.488 -11.638 862 1HB PRO 115 HB2 PRO 115 33.708 3.209 -9.802 863 2HB PRO 115 HB3 PRO 115 31.964 3.214 -9.404 864 1HG PRO 115 HG2 PRO 115 33.994 1.031 -8.814 865 2HG PRO 115 HG3 PRO 115 32.834 1.796 -7.679 866 1HD PRO 115 HD2 PRO 115 32.300 -0.557 -8.964 867 2HD PRO 115 HD3 PRO 115 31.028 0.638 -8.593 868 H ASP 116 H ASP 116 33.962 3.355 -12.387 869 HA ASP 116 HA ASP 116 36.148 1.358 -12.747 870 1HB ASP 116 HB2 ASP 116 34.896 1.719 -14.869 871 2HB ASP 116 HB3 ASP 116 35.197 3.447 -14.745 872 H ILE 117 H ILE 117 35.124 4.777 -12.259 873 HA ILE 117 HA ILE 117 37.817 5.335 -11.146 874 HB ILE 117 HB ILE 117 38.126 7.312 -12.292 875 1HG1 ILE 117 HG12 ILE 117 36.265 8.079 -14.063 876 2HG1 ILE 117 HG13 ILE 117 35.179 7.296 -12.917 877 1HG2 ILE 117 HG21 ILE 117 36.891 5.603 -14.481 878 2HG2 ILE 117 HG22 ILE 117 38.110 6.872 -14.658 879 3HG2 ILE 117 HG23 ILE 117 38.525 5.380 -13.796 880 1HD1 ILE 117 HD11 ILE 117 35.404 9.654 -12.425 881 2HD1 ILE 117 HD12 ILE 117 36.242 8.801 -11.118 882 3HD1 ILE 117 HD13 ILE 117 37.178 9.543 -12.422 883 H VAL 118 H VAL 118 37.773 6.579 -9.276 884 HA VAL 118 HA VAL 118 35.285 7.927 -8.476 885 HB VAL 118 HB VAL 118 36.675 5.782 -6.812 886 1HG1 VAL 118 HG11 VAL 118 36.031 7.645 -5.338 887 2HG1 VAL 118 HG12 VAL 118 34.387 7.631 -6.016 888 3HG1 VAL 118 HG13 VAL 118 34.981 6.257 -5.064 889 1HG2 VAL 118 HG21 VAL 118 34.424 4.699 -6.751 890 2HG2 VAL 118 HG22 VAL 118 33.828 5.913 -7.903 891 3HG2 VAL 118 HG23 VAL 118 35.097 4.761 -8.377 892 H GLY 119 H GLY 119 35.777 9.807 -7.398 893 1HA GLY 119 HA2 GLY 119 37.764 10.436 -5.654 894 2HA GLY 119 HA3 GLY 119 38.537 10.757 -7.217 895 H PHE 120 H PHE 120 37.497 12.586 -5.012 896 HA PHE 120 HA PHE 120 35.049 13.808 -5.862 897 1HB PHE 120 HB2 PHE 120 35.745 13.468 -3.526 898 2HB PHE 120 HB3 PHE 120 37.064 14.608 -3.756 899 HD1 PHE 120 HD1 PHE 120 33.422 14.885 -4.831 900 HD2 PHE 120 HD2 PHE 120 36.574 16.358 -2.269 901 HE1 PHE 120 HE1 PHE 120 31.976 16.763 -4.114 902 HE2 PHE 120 HE2 PHE 120 35.099 18.204 -1.527 903 HZ PHE 120 HZ PHE 120 32.798 18.414 -2.453 904 H TYR 121 H TYR 121 36.598 14.007 -8.060 905 HA TYR 121 HA TYR 121 36.417 16.765 -8.671 906 1HB TYR 121 HB2 TYR 121 38.787 17.187 -9.316 907 2HB TYR 121 HB3 TYR 121 38.545 17.057 -7.603 908 HD1 TYR 121 HD1 TYR 121 39.310 15.012 -6.334 909 HD2 TYR 121 HD2 TYR 121 40.302 15.685 -10.480 910 HE1 TYR 121 HE1 TYR 121 41.162 13.391 -6.141 911 HE2 TYR 121 HE2 TYR 121 42.195 14.102 -10.283 912 HH TYR 121 HH TYR 121 42.947 12.357 -7.225 913 H TYR 122 H TYR 122 35.439 14.076 -9.568 914 HA TYR 122 HA TYR 122 36.332 14.203 -12.407 915 1HB TYR 122 HB2 TYR 122 35.995 11.723 -10.685 916 2HB TYR 122 HB3 TYR 122 36.179 11.730 -12.429 917 HD1 TYR 122 HD1 TYR 122 37.918 11.149 -9.509 918 HD2 TYR 122 HD2 TYR 122 38.334 13.079 -13.339 919 HE1 TYR 122 HE1 TYR 122 40.360 10.781 -9.415 920 HE2 TYR 122 HE2 TYR 122 40.772 12.707 -13.272 921 HH TYR 122 HH TYR 122 42.556 11.768 -12.099 922 HA PRO 123 HA PRO 123 31.925 13.567 -13.115 923 1HB PRO 123 HB2 PRO 123 31.874 13.109 -15.766 924 2HB PRO 123 HB3 PRO 123 32.464 14.676 -15.132 925 1HG PRO 123 HG2 PRO 123 34.101 12.277 -16.005 926 2HG PRO 123 HG3 PRO 123 34.335 13.998 -16.451 927 1HD PRO 123 HD2 PRO 123 35.676 12.695 -14.391 928 2HD PRO 123 HD3 PRO 123 35.382 14.465 -14.424 929 H MET 124 H MET 124 30.440 11.831 -13.926 930 HA MET 124 HA MET 124 31.292 9.112 -13.343 931 1HB MET 124 HB2 MET 124 29.033 10.023 -12.876 932 2HB MET 124 HB3 MET 124 28.768 10.272 -14.608 933 1HG MET 124 HG2 MET 124 29.036 7.804 -14.956 934 2HG MET 124 HG3 MET 124 29.181 7.598 -13.215 935 1HE MET 124 HE1 MET 124 25.671 8.552 -11.890 936 2HE MET 124 HE2 MET 124 27.331 8.021 -11.502 937 3HE MET 124 HE3 MET 124 27.011 9.692 -12.037 938 H THR 125 H THR 125 31.747 7.534 -14.858 939 HA THR 125 HA THR 125 32.607 8.415 -17.512 940 HB THR 125 HB THR 125 33.453 6.096 -17.675 941 HG1 THR 125 HG1 THR 125 32.416 5.802 -15.039 942 1HG2 THR 125 HG21 THR 125 34.908 7.755 -16.600 943 2HG2 THR 125 HG22 THR 125 34.186 7.362 -15.021 944 3HG2 THR 125 HG23 THR 125 35.115 6.132 -15.910 945 H GLN 126 H GLN 126 31.987 7.225 -19.474 946 HA GLN 126 HA GLN 126 29.296 7.240 -20.000 947 1HB GLN 126 HB2 GLN 126 31.307 7.299 -21.556 948 2HB GLN 126 HB3 GLN 126 31.321 5.542 -21.509 949 1HG GLN 126 HG2 GLN 126 28.994 7.298 -22.414 950 2HG GLN 126 HG3 GLN 126 30.160 6.547 -23.492 951 1HE2 GLN 126 HE22 GLN 126 27.063 6.211 -22.621 952 2HE2 GLN 126 HE21 GLN 126 26.887 4.475 -22.676 953 HA PRO 127 HA PRO 127 28.835 2.554 -19.666 954 1HB PRO 127 HB2 PRO 127 30.371 1.044 -17.919 955 2HB PRO 127 HB3 PRO 127 30.689 1.256 -19.666 956 1HG PRO 127 HG2 PRO 127 31.941 2.723 -17.346 957 2HG PRO 127 HG3 PRO 127 32.733 2.073 -18.810 958 1HD PRO 127 HD2 PRO 127 32.098 4.687 -18.530 959 2HD PRO 127 HD3 PRO 127 31.995 3.878 -20.117 960 H ILE 128 H ILE 128 29.767 4.364 -16.711 961 HA ILE 128 HA ILE 128 27.713 2.962 -15.152 962 HB ILE 128 HB ILE 128 29.636 5.204 -14.498 963 1HG1 ILE 128 HG12 ILE 128 30.461 3.562 -12.829 964 2HG1 ILE 128 HG13 ILE 128 29.290 2.376 -13.367 965 1HG2 ILE 128 HG21 ILE 128 27.624 3.925 -12.580 966 2HG2 ILE 128 HG22 ILE 128 28.835 5.164 -12.192 967 3HG2 ILE 128 HG23 ILE 128 27.478 5.553 -13.235 968 1HD1 ILE 128 HD11 ILE 128 31.697 2.056 -14.122 969 2HD1 ILE 128 HD12 ILE 128 30.479 2.002 -15.406 970 3HD1 ILE 128 HD13 ILE 128 31.471 3.455 -15.160 971 H LYS 129 H LYS 129 28.071 6.061 -16.889 972 HA LYS 129 HA LYS 129 25.505 7.139 -16.213 973 1HB LYS 129 HB2 LYS 129 27.139 7.344 -18.780 974 2HB LYS 129 HB3 LYS 129 25.588 8.152 -18.559 975 1HG LYS 129 HG2 LYS 129 26.447 9.421 -16.659 976 2HG LYS 129 HG3 LYS 129 28.019 8.609 -16.795 977 1HD LYS 129 HD2 LYS 129 28.364 9.543 -19.033 978 2HD LYS 129 HD3 LYS 129 26.748 10.292 -18.997 979 1HE LYS 129 HE2 LYS 129 27.406 11.647 -17.040 980 2HE LYS 129 HE3 LYS 129 29.005 10.893 -17.039 981 1HZ LYS 129 HZ1 LYS 129 29.413 11.885 -19.213 982 2HZ LYS 129 HZ2 LYS 129 27.927 12.572 -19.233 983 3HZ LYS 129 HZ3 LYS 129 29.033 13.047 -18.138 984 H ASP 130 H ASP 130 26.456 4.848 -18.807 985 HA ASP 130 HA ASP 130 23.841 4.420 -19.818 986 1HB ASP 130 HB2 ASP 130 25.846 3.742 -21.031 987 2HB ASP 130 HB3 ASP 130 26.258 2.578 -19.772 988 H ALA 131 H ALA 131 25.594 2.783 -17.174 989 HA ALA 131 HA ALA 131 23.587 0.833 -16.654 990 1HB ALA 131 HB1 ALA 131 24.659 0.603 -14.456 991 2HB ALA 131 HB2 ALA 131 25.871 0.687 -15.754 992 3HB ALA 131 HB3 ALA 131 25.565 2.103 -14.725 993 H VAL 132 H VAL 132 24.071 4.131 -15.209 994 HA VAL 132 HA VAL 132 21.795 3.976 -13.501 995 HB VAL 132 HB VAL 132 23.339 6.322 -14.678 996 1HG1 VAL 132 HG11 VAL 132 21.198 7.273 -14.160 997 2HG1 VAL 132 HG12 VAL 132 21.057 6.315 -12.676 998 3HG1 VAL 132 HG13 VAL 132 22.231 7.636 -12.766 999 1HG2 VAL 132 HG21 VAL 132 23.266 5.164 -11.849 1000 2HG2 VAL 132 HG22 VAL 132 24.561 4.872 -13.029 1001 3HG2 VAL 132 HG23 VAL 132 24.274 6.508 -12.425 1002 H GLU 133 H GLU 133 22.130 5.094 -16.916 1003 HA GLU 133 HA GLU 133 19.425 5.899 -17.263 1004 1HB GLU 133 HB2 GLU 133 21.260 6.453 -18.811 1005 2HB GLU 133 HB3 GLU 133 21.459 4.758 -19.223 1006 1HG GLU 133 HG2 GLU 133 20.274 5.912 -20.987 1007 2HG GLU 133 HG3 GLU 133 19.249 4.683 -20.260 1008 H THR 134 H THR 134 21.005 2.681 -17.555 1009 HA THR 134 HA THR 134 18.691 1.300 -18.492 1010 HB THR 134 HB THR 134 21.053 0.226 -16.885 1011 HG1 THR 134 HG1 THR 134 21.738 1.263 -18.758 1012 1HG2 THR 134 HG21 THR 134 20.562 -1.906 -18.042 1013 2HG2 THR 134 HG22 THR 134 19.221 -1.409 -17.002 1014 3HG2 THR 134 HG23 THR 134 19.103 -1.181 -18.760 1015 H VAL 135 H VAL 135 19.947 1.825 -15.112 1016 HA VAL 135 HA VAL 135 17.840 0.407 -13.832 1017 HB VAL 135 HB VAL 135 19.534 2.753 -12.866 1018 1HG1 VAL 135 HG11 VAL 135 17.523 2.647 -11.457 1019 2HG1 VAL 135 HG12 VAL 135 17.719 0.892 -11.261 1020 3HG1 VAL 135 HG13 VAL 135 18.907 2.014 -10.563 1021 1HG2 VAL 135 HG21 VAL 135 20.802 1.029 -11.670 1022 2HG2 VAL 135 HG22 VAL 135 19.741 -0.247 -12.314 1023 3HG2 VAL 135 HG23 VAL 135 20.808 0.666 -13.391 1024 H TYR 136 H TYR 136 18.084 3.898 -14.739 1025 HA TYR 136 HA TYR 136 15.581 4.739 -13.803 1026 1HB TYR 136 HB2 TYR 136 17.113 6.369 -14.482 1027 2HB TYR 136 HB3 TYR 136 17.447 5.586 -16.004 1028 HD1 TYR 136 HD1 TYR 136 16.359 6.166 -17.981 1029 HD2 TYR 136 HD2 TYR 136 14.818 7.568 -14.200 1030 HE1 TYR 136 HE1 TYR 136 14.860 7.705 -19.184 1031 HE2 TYR 136 HE2 TYR 136 13.336 9.156 -15.403 1032 HH TYR 136 HH TYR 136 13.234 9.349 -18.999 1033 H GLN 137 H GLN 137 16.339 3.274 -17.042 1034 HA GLN 137 HA GLN 137 13.571 3.334 -17.848 1035 1HB GLN 137 HB2 GLN 137 16.010 1.820 -18.903 1036 2HB GLN 137 HB3 GLN 137 14.417 1.752 -19.663 1037 1HG GLN 137 HG2 GLN 137 14.458 4.214 -20.004 1038 2HG GLN 137 HG3 GLN 137 16.072 4.272 -19.302 1039 1HE2 GLN 137 HE22 GLN 137 16.995 5.122 -21.259 1040 2HE2 GLN 137 HE21 GLN 137 17.200 4.108 -22.683 1041 H ARG 138 H ARG 138 15.000 1.312 -15.522 1042 HA ARG 138 HA ARG 138 13.087 -0.924 -16.042 1043 1HB ARG 138 HB2 ARG 138 15.655 -1.095 -16.292 1044 2HB ARG 138 HB3 ARG 138 15.719 -1.086 -14.547 1045 1HG ARG 138 HG2 ARG 138 14.062 -3.018 -16.254 1046 2HG ARG 138 HG3 ARG 138 15.743 -3.327 -15.831 1047 1HD ARG 138 HD2 ARG 138 13.550 -2.938 -13.818 1048 2HD ARG 138 HD3 ARG 138 14.035 -4.495 -14.435 1049 HE ARG 138 HE ARG 138 16.065 -4.421 -13.349 1050 1HH1 ARG 138 HH11 ARG 138 14.140 -1.568 -12.457 1051 2HH1 ARG 138 HH12 ARG 138 15.254 -1.006 -11.259 1052 1HH2 ARG 138 HH21 ARG 138 17.540 -3.670 -11.700 1053 2HH2 ARG 138 HH22 ARG 138 17.134 -2.297 -10.750 1054 H LEU 139 H LEU 139 13.772 1.742 -13.882 1055 HA LEU 139 HA LEU 139 12.547 0.702 -11.540 1056 1HB LEU 139 HB2 LEU 139 12.623 3.467 -12.779 1057 2HB LEU 139 HB3 LEU 139 11.816 3.173 -11.248 1058 HG LEU 139 HG LEU 139 14.768 2.617 -11.731 1059 1HD1 LEU 139 HD11 LEU 139 13.338 4.958 -10.420 1060 2HD1 LEU 139 HD12 LEU 139 15.092 4.682 -10.390 1061 3HD1 LEU 139 HD13 LEU 139 14.267 4.989 -11.930 1062 1HD2 LEU 139 HD21 LEU 139 13.197 2.745 -9.128 1063 2HD2 LEU 139 HD22 LEU 139 13.842 1.260 -9.863 1064 3HD2 LEU 139 HD23 LEU 139 14.946 2.510 -9.293 1065 H GLU 140 H GLU 140 11.133 1.577 -14.633 1066 HA GLU 140 HA GLU 140 8.395 1.613 -13.642 1067 1HB GLU 140 HB2 GLU 140 7.838 1.888 -16.048 1068 2HB GLU 140 HB3 GLU 140 9.014 3.056 -15.469 1069 1HG GLU 140 HG2 GLU 140 10.854 1.724 -16.467 1070 2HG GLU 140 HG3 GLU 140 9.688 0.537 -17.057 1071 H GLY 141 H GLY 141 10.456 -0.981 -14.015 1072 1HA GLY 141 HA2 GLY 141 8.226 -2.843 -14.780 1073 2HA GLY 141 HA3 GLY 141 9.821 -2.925 -15.530 1074 H TRP 142 H TRP 142 11.030 -2.253 -12.733 1075 HA TRP 142 HA TRP 142 11.500 -4.873 -11.763 1076 1HB TRP 142 HB2 TRP 142 13.002 -3.071 -11.450 1077 2HB TRP 142 HB3 TRP 142 11.812 -2.078 -10.623 1078 HD1 TRP 142 HD1 TRP 142 14.632 -4.394 -10.011 1079 HE1 TRP 142 HE1 TRP 142 15.011 -4.665 -7.474 1080 HE3 TRP 142 HE3 TRP 142 10.235 -2.395 -8.259 1081 HZ2 TRP 142 HZ2 TRP 142 13.880 -3.614 -5.106 1082 HZ3 TRP 142 HZ3 TRP 142 9.943 -2.026 -5.835 1083 HH2 TRP 142 HH2 TRP 142 11.753 -2.603 -4.238 1084 H GLU 143 H GLU 143 10.764 -5.924 -10.001 1085 HA GLU 143 HA GLU 143 8.241 -5.068 -8.700 1086 1HB GLU 143 HB2 GLU 143 7.285 -7.189 -9.110 1087 2HB GLU 143 HB3 GLU 143 7.928 -6.655 -10.652 1088 1HG GLU 143 HG2 GLU 143 9.174 -8.731 -8.783 1089 2HG GLU 143 HG3 GLU 143 8.299 -9.053 -10.266 1090 H GLY 144 H GLY 144 11.418 -5.803 -8.178 1091 1HA GLY 144 HA2 GLY 144 11.687 -6.010 -5.530 1092 2HA GLY 144 HA3 GLY 144 11.158 -7.658 -5.929 1093 H ASN 145 H ASN 145 12.520 -7.510 -8.649 1094 HA ASN 145 HA ASN 145 15.407 -7.524 -7.865 1095 1HB ASN 145 HB2 ASN 145 14.751 -9.760 -7.459 1096 2HB ASN 145 HB3 ASN 145 13.729 -9.827 -8.906 1097 1HD2 ASN 145 HD22 ASN 145 17.066 -10.043 -7.707 1098 2HD2 ASN 145 HD21 ASN 145 17.768 -10.443 -9.268 1099 H GLY 146 H GLY 146 12.953 -7.393 -10.416 1100 1HA GLY 146 HA2 GLY 146 12.979 -6.530 -12.500 1101 2HA GLY 146 HA3 GLY 146 14.300 -5.495 -11.945 1102 H GLY 147 H GLY 147 14.637 -9.012 -12.031 1103 1HA GLY 147 HA2 GLY 147 15.499 -10.469 -13.550 1104 2HA GLY 147 HA3 GLY 147 15.567 -9.180 -14.759 1105 H PHE 148 H PHE 148 17.264 -8.208 -11.884 1106 HA PHE 148 HA PHE 148 19.810 -8.686 -13.303 1107 1HB PHE 148 HB2 PHE 148 19.003 -6.847 -11.048 1108 2HB PHE 148 HB3 PHE 148 20.694 -7.217 -11.387 1109 HD1 PHE 148 HD1 PHE 148 17.694 -5.519 -12.648 1110 HD2 PHE 148 HD2 PHE 148 21.730 -6.679 -13.586 1111 HE1 PHE 148 HE1 PHE 148 17.723 -3.924 -14.600 1112 HE2 PHE 148 HE2 PHE 148 21.717 -5.167 -15.552 1113 HZ PHE 148 HZ PHE 148 19.723 -3.768 -16.036 1114 H ALA 149 H ALA 149 21.585 -9.592 -12.223 1115 HA ALA 149 HA ALA 149 20.858 -11.968 -10.687 1116 1HB ALA 149 HB1 ALA 149 23.545 -10.924 -11.692 1117 2HB ALA 149 HB2 ALA 149 23.302 -12.472 -10.856 1118 3HB ALA 149 HB3 ALA 149 22.546 -12.186 -12.434 1119 H GLN 150 H GLN 150 21.450 -12.398 -8.621 1120 HA GLN 150 HA GLN 150 21.870 -10.081 -6.870 1121 1HB GLN 150 HB2 GLN 150 20.088 -11.983 -6.642 1122 2HB GLN 150 HB3 GLN 150 21.401 -12.953 -5.982 1123 1HG GLN 150 HG2 GLN 150 20.529 -10.222 -4.922 1124 2HG GLN 150 HG3 GLN 150 19.894 -11.751 -4.327 1125 1HE2 GLN 150 HE22 GLN 150 22.636 -9.553 -4.255 1126 2HE2 GLN 150 HE21 GLN 150 23.680 -10.569 -3.282 1127 H LEU 151 H LEU 151 23.885 -9.569 -6.218 1128 HA LEU 151 HA LEU 151 26.216 -10.848 -7.077 1129 1HB LEU 151 HB2 LEU 151 25.979 -8.441 -6.416 1130 2HB LEU 151 HB3 LEU 151 25.760 -8.940 -4.746 1131 HG LEU 151 HG LEU 151 28.097 -9.878 -4.747 1132 1HD1 LEU 151 HD11 LEU 151 28.250 -8.626 -7.525 1133 2HD1 LEU 151 HD12 LEU 151 29.634 -9.216 -6.583 1134 3HD1 LEU 151 HD13 LEU 151 28.411 -10.350 -7.149 1135 1HD2 LEU 151 HD21 LEU 151 27.683 -6.960 -5.537 1136 2HD2 LEU 151 HD22 LEU 151 27.681 -7.640 -3.910 1137 3HD2 LEU 151 HD23 LEU 151 29.191 -7.601 -4.835 1138 H ALA 152 H ALA 152 27.516 -12.338 -6.137 1139 HA ALA 152 HA ALA 152 27.154 -13.069 -3.272 1140 1HB ALA 152 HB1 ALA 152 27.256 -15.104 -5.543 1141 2HB ALA 152 HB2 ALA 152 27.327 -15.475 -3.806 1142 3HB ALA 152 HB3 ALA 152 25.865 -14.745 -4.497 1143 H VAL 153 H VAL 153 29.162 -14.104 -6.049 1144 HA VAL 153 HA VAL 153 31.596 -13.165 -4.766 1145 HB VAL 153 HB VAL 153 30.939 -15.328 -3.669 1146 1HG1 VAL 153 HG11 VAL 153 31.197 -17.457 -4.801 1147 2HG1 VAL 153 HG12 VAL 153 29.942 -16.496 -5.590 1148 3HG1 VAL 153 HG13 VAL 153 31.548 -16.644 -6.337 1149 1HG2 VAL 153 HG21 VAL 153 33.587 -15.593 -5.106 1150 2HG2 VAL 153 HG22 VAL 153 33.287 -14.578 -3.678 1151 3HG2 VAL 153 HG23 VAL 153 33.087 -16.334 -3.578 1152 H GLU 154 H GLU 154 29.918 -13.072 -7.431 1153 HA GLU 154 HA GLU 154 31.604 -14.229 -9.464 1154 1HB GLU 154 HB2 GLU 154 29.124 -13.799 -9.611 1155 2HB GLU 154 HB3 GLU 154 29.462 -12.063 -9.647 1156 1HG GLU 154 HG2 GLU 154 30.733 -12.367 -11.759 1157 2HG GLU 154 HG3 GLU 154 30.490 -14.114 -11.659 1158 H GLU 155 H GLU 155 33.052 -13.072 -10.865 1159 HA GLU 155 HA GLU 155 33.757 -10.282 -10.295 1160 1HB GLU 155 HB2 GLU 155 35.720 -12.613 -10.098 1161 2HB GLU 155 HB3 GLU 155 36.198 -10.928 -10.304 1162 1HG GLU 155 HG2 GLU 155 35.069 -10.339 -8.169 1163 2HG GLU 155 HG3 GLU 155 34.684 -12.046 -7.915 1164 H GLU 156 H GLU 156 35.222 -9.511 -12.039 1165 HA GLU 156 HA GLU 156 34.418 -10.126 -14.673 1166 1HB GLU 156 HB2 GLU 156 35.460 -8.000 -13.913 1167 2HB GLU 156 HB3 GLU 156 36.992 -8.838 -13.662 1168 1HG GLU 156 HG2 GLU 156 37.035 -9.401 -16.114 1169 2HG GLU 156 HG3 GLU 156 35.534 -8.496 -16.319 Start of MODEL 16 1 1H MET 1 H1 MET 1 -0.314 2.056 -1.271 2 2H MET 1 H2 MET 1 -0.545 0.761 -0.288 3 3H MET 1 H3 MET 1 -0.046 2.193 0.333 4 HA MET 1 HA MET 1 1.790 0.686 0.248 5 1HB MET 1 HB2 MET 1 0.910 -0.660 -1.672 6 2HB MET 1 HB3 MET 1 1.322 0.663 -2.773 7 1HG MET 1 HG2 MET 1 3.714 0.430 -2.143 8 2HG MET 1 HG3 MET 1 3.275 -0.838 -0.995 9 1HE MET 1 HE1 MET 1 5.620 -1.223 -3.032 10 2HE MET 1 HE2 MET 1 5.068 -2.456 -1.875 11 3HE MET 1 HE3 MET 1 5.283 -2.877 -3.587 12 H THR 2 H THR 2 3.788 1.662 0.271 13 HA THR 2 HA THR 2 4.262 4.045 -1.442 14 HB THR 2 HB THR 2 5.036 3.783 1.494 15 HG1 THR 2 HG1 THR 2 2.864 4.238 1.313 16 1HG2 THR 2 HG21 THR 2 5.718 6.167 1.264 17 2HG2 THR 2 HG22 THR 2 6.682 5.109 0.225 18 3HG2 THR 2 HG23 THR 2 5.376 6.085 -0.478 19 H ASP 3 H ASP 3 6.270 3.919 -2.423 20 HA ASP 3 HA ASP 3 7.982 1.553 -1.836 21 1HB ASP 3 HB2 ASP 3 6.233 1.035 -3.526 22 2HB ASP 3 HB3 ASP 3 6.799 2.375 -4.519 23 H VAL 4 H VAL 4 9.778 2.703 -1.164 24 HA VAL 4 HA VAL 4 10.306 5.317 -2.415 25 HB VAL 4 HB VAL 4 11.336 3.945 0.079 26 1HG1 VAL 4 HG11 VAL 4 12.267 6.619 -1.065 27 2HG1 VAL 4 HG12 VAL 4 12.613 6.028 0.579 28 3HG1 VAL 4 HG13 VAL 4 13.280 5.187 -0.817 29 1HG2 VAL 4 HG21 VAL 4 9.107 5.051 0.183 30 2HG2 VAL 4 HG22 VAL 4 10.309 5.927 1.157 31 3HG2 VAL 4 HG23 VAL 4 9.831 6.557 -0.420 32 H LEU 5 H LEU 5 12.114 5.857 -3.463 33 HA LEU 5 HA LEU 5 14.081 3.719 -4.150 34 1HB LEU 5 HB2 LEU 5 12.838 4.479 -6.163 35 2HB LEU 5 HB3 LEU 5 13.179 6.157 -5.752 36 HG LEU 5 HG LEU 5 15.658 5.659 -6.015 37 1HD1 LEU 5 HD11 LEU 5 14.601 2.998 -7.059 38 2HD1 LEU 5 HD12 LEU 5 16.259 3.595 -7.285 39 3HD1 LEU 5 HD13 LEU 5 15.674 3.234 -5.660 40 1HD2 LEU 5 HD21 LEU 5 13.821 5.130 -8.382 41 2HD2 LEU 5 HD22 LEU 5 14.338 6.717 -7.785 42 3HD2 LEU 5 HD23 LEU 5 15.528 5.621 -8.492 43 H LEU 6 H LEU 6 15.771 4.115 -2.776 44 HA LEU 6 HA LEU 6 16.343 6.907 -1.936 45 1HB LEU 6 HB2 LEU 6 16.029 5.368 -0.108 46 2HB LEU 6 HB3 LEU 6 17.173 4.214 -0.820 47 HG LEU 6 HG LEU 6 19.019 5.850 -0.496 48 1HD1 LEU 6 HD11 LEU 6 17.824 7.976 -0.599 49 2HD1 LEU 6 HD12 LEU 6 16.898 7.543 0.861 50 3HD1 LEU 6 HD13 LEU 6 18.649 7.833 0.954 51 1HD2 LEU 6 HD21 LEU 6 18.571 4.169 1.211 52 2HD2 LEU 6 HD22 LEU 6 19.124 5.678 1.944 53 3HD2 LEU 6 HD23 LEU 6 17.399 5.237 1.996 54 H CYS 7 H CYS 7 17.560 7.814 -3.456 55 HA CYS 7 HA CYS 7 19.790 6.405 -4.766 56 1HB CYS 7 HB2 CYS 7 18.787 9.290 -4.701 57 2HB CYS 7 HB3 CYS 7 20.153 8.736 -5.665 58 HG CYS 7 HG CYS 7 17.019 7.658 -5.676 59 H VAL 8 H VAL 8 21.939 6.563 -4.112 60 HA VAL 8 HA VAL 8 22.690 8.394 -1.903 61 HB VAL 8 HB VAL 8 23.343 5.412 -2.101 62 1HG1 VAL 8 HG11 VAL 8 24.333 5.714 0.153 63 2HG1 VAL 8 HG12 VAL 8 25.181 6.645 -1.077 64 3HG1 VAL 8 HG13 VAL 8 24.046 7.460 0.026 65 1HG2 VAL 8 HG21 VAL 8 21.069 5.557 -1.396 66 2HG2 VAL 8 HG22 VAL 8 22.046 5.161 0.011 67 3HG2 VAL 8 HG23 VAL 8 21.448 6.826 -0.204 68 H GLY 9 H GLY 9 24.822 9.222 -2.219 69 1HA GLY 9 HA2 GLY 9 27.006 8.173 -3.353 70 2HA GLY 9 HA3 GLY 9 26.103 8.615 -4.799 71 H ASN 10 H ASN 10 28.460 9.756 -4.596 72 HA ASN 10 HA ASN 10 27.975 12.594 -3.763 73 1HB ASN 10 HB2 ASN 10 29.776 11.511 -2.478 74 2HB ASN 10 HB3 ASN 10 30.573 11.018 -3.958 75 1HD2 ASN 10 HD22 ASN 10 30.878 13.250 -1.552 76 2HD2 ASN 10 HD21 ASN 10 31.572 14.563 -2.467 77 H SER 11 H SER 11 27.520 13.804 -5.485 78 HA SER 11 HA SER 11 27.643 12.940 -8.097 79 1HB SER 11 HB2 SER 11 27.496 15.853 -7.323 80 2HB SER 11 HB3 SER 11 26.595 14.981 -8.579 81 HG SER 11 HG SER 11 25.331 15.465 -6.704 82 H MET 12 H MET 12 30.413 14.164 -6.424 83 HA MET 12 HA MET 12 31.612 15.007 -9.029 84 1HB MET 12 HB2 MET 12 32.999 16.585 -7.925 85 2HB MET 12 HB3 MET 12 31.321 16.937 -7.515 86 1HG MET 12 HG2 MET 12 31.612 15.968 -5.296 87 2HG MET 12 HG3 MET 12 33.223 15.372 -5.716 88 1HE MET 12 HE1 MET 12 31.563 18.987 -6.366 89 2HE MET 12 HE2 MET 12 31.010 18.440 -4.764 90 3HE MET 12 HE3 MET 12 32.138 19.807 -4.902 91 H MET 13 H MET 13 31.481 12.497 -6.933 92 HA MET 13 HA MET 13 34.373 11.951 -6.965 93 1HB MET 13 HB2 MET 13 33.103 11.873 -4.853 94 2HB MET 13 HB3 MET 13 32.148 10.557 -5.495 95 1HG MET 13 HG2 MET 13 34.295 9.220 -5.715 96 2HG MET 13 HG3 MET 13 35.133 10.583 -4.959 97 1HE MET 13 HE1 MET 13 35.476 7.750 -3.891 98 2HE MET 13 HE2 MET 13 36.160 9.205 -3.128 99 3HE MET 13 HE3 MET 13 35.302 8.001 -2.136 100 H GLY 14 H GLY 14 33.191 12.075 -9.439 101 1HA GLY 14 HA2 GLY 14 32.942 10.955 -11.402 102 2HA GLY 14 HA3 GLY 14 34.012 9.745 -10.685 103 H ASP 15 H ASP 15 33.170 7.795 -10.776 104 HA ASP 15 HA ASP 15 30.586 7.195 -11.604 105 1HB ASP 15 HB2 ASP 15 32.610 5.469 -10.186 106 2HB ASP 15 HB3 ASP 15 31.190 4.857 -11.042 107 H ASP 16 H ASP 16 31.677 7.918 -8.365 108 HA ASP 16 HA ASP 16 29.742 6.418 -6.869 109 1HB ASP 16 HB2 ASP 16 31.911 7.692 -6.075 110 2HB ASP 16 HB3 ASP 16 30.835 9.082 -6.036 111 H GLY 17 H GLY 17 29.366 9.180 -8.939 112 1HA GLY 17 HA2 GLY 17 27.151 10.433 -7.581 113 2HA GLY 17 HA3 GLY 17 27.640 10.652 -9.268 114 H ALA 18 H ALA 18 26.935 7.342 -8.163 115 HA ALA 18 HA ALA 18 25.267 6.961 -10.428 116 1HB ALA 18 HB1 ALA 18 24.840 4.736 -9.363 117 2HB ALA 18 HB2 ALA 18 26.566 5.143 -9.484 118 3HB ALA 18 HB3 ALA 18 25.719 5.290 -7.926 119 H GLY 19 H GLY 19 24.441 7.096 -6.909 120 1HA GLY 19 HA2 GLY 19 21.622 6.991 -7.246 121 2HA GLY 19 HA3 GLY 19 22.485 7.676 -5.865 122 HA PRO 20 HA PRO 20 21.748 11.840 -7.025 123 1HB PRO 20 HB2 PRO 20 24.519 12.188 -8.232 124 2HB PRO 20 HB3 PRO 20 23.588 13.339 -7.219 125 1HG PRO 20 HG2 PRO 20 25.497 11.756 -6.104 126 2HG PRO 20 HG3 PRO 20 23.937 12.018 -5.262 127 1HD PRO 20 HD2 PRO 20 24.865 9.607 -6.777 128 2HD PRO 20 HD3 PRO 20 23.803 9.720 -5.352 129 H LEU 21 H LEU 21 23.464 10.219 -9.841 130 HA LEU 21 HA LEU 21 22.118 11.941 -11.726 131 1HB LEU 21 HB2 LEU 21 24.258 10.884 -12.237 132 2HB LEU 21 HB3 LEU 21 23.555 9.282 -12.034 133 HG LEU 21 HG LEU 21 22.047 9.697 -13.993 134 1HD1 LEU 21 HD11 LEU 21 21.822 12.129 -13.949 135 2HD1 LEU 21 HD12 LEU 21 23.571 12.334 -14.185 136 3HD1 LEU 21 HD13 LEU 21 22.561 11.665 -15.482 137 1HD2 LEU 21 HD21 LEU 21 24.990 10.167 -14.577 138 2HD2 LEU 21 HD22 LEU 21 24.211 8.593 -14.310 139 3HD2 LEU 21 HD23 LEU 21 23.776 9.561 -15.726 140 H LEU 22 H LEU 22 21.412 8.736 -10.265 141 HA LEU 22 HA LEU 22 19.165 8.145 -11.923 142 1HB LEU 22 HB2 LEU 22 20.283 6.475 -10.448 143 2HB LEU 22 HB3 LEU 22 19.730 7.348 -9.031 144 HG LEU 22 HG LEU 22 17.397 6.904 -9.577 145 1HD1 LEU 22 HD11 LEU 22 16.876 5.230 -11.421 146 2HD1 LEU 22 HD12 LEU 22 17.373 6.816 -12.007 147 3HD1 LEU 22 HD13 LEU 22 18.527 5.458 -12.026 148 1HD2 LEU 22 HD21 LEU 22 17.436 4.443 -9.233 149 2HD2 LEU 22 HD22 LEU 22 19.142 4.410 -9.714 150 3HD2 LEU 22 HD23 LEU 22 18.648 5.261 -8.231 151 H ALA 23 H ALA 23 19.390 9.735 -8.692 152 HA ALA 23 HA ALA 23 16.675 10.424 -8.409 153 1HB ALA 23 HB1 ALA 23 17.492 12.200 -6.865 154 2HB ALA 23 HB2 ALA 23 18.305 10.667 -6.552 155 3HB ALA 23 HB3 ALA 23 19.150 11.947 -7.446 156 H GLU 24 H GLU 24 19.263 12.185 -10.193 157 HA GLU 24 HA GLU 24 17.712 14.507 -10.752 158 1HB GLU 24 HB2 GLU 24 20.111 14.533 -11.036 159 2HB GLU 24 HB3 GLU 24 20.062 13.173 -12.143 160 1HG GLU 24 HG2 GLU 24 20.487 15.213 -13.360 161 2HG GLU 24 HG3 GLU 24 18.971 14.481 -13.862 162 H LYS 25 H LYS 25 18.224 11.499 -12.616 163 HA LYS 25 HA LYS 25 16.517 12.220 -14.801 164 1HB LYS 25 HB2 LYS 25 17.526 9.583 -13.683 165 2HB LYS 25 HB3 LYS 25 16.474 9.655 -15.116 166 1HG LYS 25 HG2 LYS 25 18.111 11.070 -16.283 167 2HG LYS 25 HG3 LYS 25 19.171 11.052 -14.866 168 1HD LYS 25 HD2 LYS 25 19.322 8.556 -15.053 169 2HD LYS 25 HD3 LYS 25 18.384 8.623 -16.551 170 1HE LYS 25 HE2 LYS 25 21.022 10.086 -16.074 171 2HE LYS 25 HE3 LYS 25 20.915 8.496 -16.831 172 1HZ LYS 25 HZ1 LYS 25 19.762 9.423 -18.682 173 2HZ LYS 25 HZ2 LYS 25 19.585 10.896 -17.955 174 3HZ LYS 25 HZ3 LYS 25 21.056 10.366 -18.418 175 H CYS 26 H CYS 26 15.817 10.390 -11.773 176 HA CYS 26 HA CYS 26 13.073 9.894 -12.405 177 1HB CYS 26 HB2 CYS 26 14.374 10.224 -9.661 178 2HB CYS 26 HB3 CYS 26 12.787 9.502 -10.009 179 HG CYS 26 HG CYS 26 15.785 8.524 -10.982 180 H ALA 27 H ALA 27 14.643 12.640 -10.653 181 HA ALA 27 HA ALA 27 12.241 13.962 -9.997 182 1HB ALA 27 HB1 ALA 27 15.002 15.140 -10.535 183 2HB ALA 27 HB2 ALA 27 13.664 15.963 -9.708 184 3HB ALA 27 HB3 ALA 27 14.403 14.527 -8.975 185 H ALA 28 H ALA 28 14.281 14.137 -12.958 186 HA ALA 28 HA ALA 28 12.823 16.253 -14.180 187 1HB ALA 28 HB1 ALA 28 15.127 15.632 -14.819 188 2HB ALA 28 HB2 ALA 28 14.543 14.066 -15.432 189 3HB ALA 28 HB3 ALA 28 14.037 15.575 -16.218 190 H ALA 29 H ALA 29 12.454 12.724 -14.199 191 HA ALA 29 HA ALA 29 9.818 12.865 -15.515 192 1HB ALA 29 HB1 ALA 29 10.608 11.247 -17.271 193 2HB ALA 29 HB2 ALA 29 11.279 12.882 -17.434 194 3HB ALA 29 HB3 ALA 29 12.282 11.587 -16.756 195 HA PRO 30 HA PRO 30 10.136 9.783 -12.102 196 1HB PRO 30 HB2 PRO 30 7.142 10.086 -12.424 197 2HB PRO 30 HB3 PRO 30 8.101 9.923 -10.918 198 1HG PRO 30 HG2 PRO 30 7.217 12.359 -11.712 199 2HG PRO 30 HG3 PRO 30 8.891 12.173 -11.092 200 1HD PRO 30 HD2 PRO 30 7.960 12.350 -13.967 201 2HD PRO 30 HD3 PRO 30 9.364 13.132 -13.175 202 H LYS 31 H LYS 31 9.241 7.584 -11.821 203 HA LYS 31 HA LYS 31 8.184 6.221 -14.230 204 1HB LYS 31 HB2 LYS 31 10.668 5.449 -12.602 205 2HB LYS 31 HB3 LYS 31 9.840 4.313 -13.640 206 1HG LYS 31 HG2 LYS 31 11.203 6.879 -14.571 207 2HG LYS 31 HG3 LYS 31 11.781 5.225 -14.770 208 1HD LYS 31 HD2 LYS 31 9.582 4.778 -16.061 209 2HD LYS 31 HD3 LYS 31 9.393 6.537 -16.112 210 1HE LYS 31 HE2 LYS 31 11.615 6.729 -17.212 211 2HE LYS 31 HE3 LYS 31 11.777 4.967 -17.172 212 1HZ LYS 31 HZ1 LYS 31 9.728 6.499 -18.666 213 2HZ LYS 31 HZ2 LYS 31 10.952 5.634 -19.311 214 3HZ LYS 31 HZ3 LYS 31 9.720 4.865 -18.538 215 H GLY 32 H GLY 32 7.637 3.865 -13.511 216 1HA GLY 32 HA2 GLY 32 6.042 2.657 -12.369 217 2HA GLY 32 HA3 GLY 32 7.203 2.862 -11.062 218 H ASN 33 H ASN 33 6.169 3.381 -9.254 219 HA ASN 33 HA ASN 33 4.470 5.782 -9.158 220 1HB ASN 33 HB2 ASN 33 2.881 3.844 -9.316 221 2HB ASN 33 HB3 ASN 33 3.630 3.150 -7.875 222 1HD2 ASN 33 HD22 ASN 33 1.781 3.306 -6.502 223 2HD2 ASN 33 HD21 ASN 33 1.079 4.832 -6.034 224 H TRP 34 H TRP 34 7.173 5.514 -8.588 225 HA TRP 34 HA TRP 34 7.717 4.669 -5.887 226 1HB TRP 34 HB2 TRP 34 9.363 6.248 -7.904 227 2HB TRP 34 HB3 TRP 34 9.977 5.582 -6.403 228 HD1 TRP 34 HD1 TRP 34 8.844 4.491 -9.864 229 HE1 TRP 34 HE1 TRP 34 9.773 2.178 -10.387 230 HE3 TRP 34 HE3 TRP 34 10.698 3.334 -5.249 231 HZ2 TRP 34 HZ2 TRP 34 11.586 0.350 -9.136 232 HZ3 TRP 34 HZ3 TRP 34 12.071 1.301 -4.944 233 HH2 TRP 34 HH2 TRP 34 12.588 -0.165 -6.879 234 H VAL 35 H VAL 35 8.836 6.058 -4.366 235 HA VAL 35 HA VAL 35 8.241 8.980 -4.524 236 HB VAL 35 HB VAL 35 8.371 7.240 -2.025 237 1HG1 VAL 35 HG11 VAL 35 7.927 10.245 -2.370 238 2HG1 VAL 35 HG12 VAL 35 7.727 9.354 -0.850 239 3HG1 VAL 35 HG13 VAL 35 9.326 9.468 -1.594 240 1HG2 VAL 35 HG21 VAL 35 6.231 6.936 -3.152 241 2HG2 VAL 35 HG22 VAL 35 5.992 7.971 -1.739 242 3HG2 VAL 35 HG23 VAL 35 6.045 8.692 -3.359 243 H VAL 36 H VAL 36 10.105 9.804 -5.270 244 HA VAL 36 HA VAL 36 12.636 8.437 -5.023 245 HB VAL 36 HB VAL 36 12.099 11.314 -5.891 246 1HG1 VAL 36 HG11 VAL 36 14.496 10.782 -5.558 247 2HG1 VAL 36 HG12 VAL 36 14.342 9.371 -6.628 248 3HG1 VAL 36 HG13 VAL 36 14.135 11.017 -7.268 249 1HG2 VAL 36 HG21 VAL 36 10.656 9.833 -7.262 250 2HG2 VAL 36 HG22 VAL 36 11.966 10.516 -8.204 251 3HG2 VAL 36 HG23 VAL 36 12.065 8.823 -7.653 252 H ILE 37 H ILE 37 14.253 8.794 -3.537 253 HA ILE 37 HA ILE 37 14.215 11.199 -1.824 254 HB ILE 37 HB ILE 37 14.660 8.327 -0.890 255 1HG1 ILE 37 HG12 ILE 37 12.244 8.992 -1.001 256 2HG1 ILE 37 HG13 ILE 37 12.830 8.513 0.578 257 1HG2 ILE 37 HG21 ILE 37 16.296 9.749 0.225 258 2HG2 ILE 37 HG22 ILE 37 15.049 10.926 0.644 259 3HG2 ILE 37 HG23 ILE 37 15.041 9.310 1.378 260 1HD1 ILE 37 HD11 ILE 37 12.426 11.415 -0.238 261 2HD1 ILE 37 HD12 ILE 37 11.254 10.422 0.651 262 3HD1 ILE 37 HD13 ILE 37 12.805 10.794 1.392 263 H ASP 38 H ASP 38 16.365 11.845 -1.377 264 HA ASP 38 HA ASP 38 18.593 10.400 -2.738 265 1HB ASP 38 HB2 ASP 38 18.155 12.135 -4.285 266 2HB ASP 38 HB3 ASP 38 17.925 13.333 -3.004 267 H GLY 39 H GLY 39 19.782 9.772 -1.019 268 1HA GLY 39 HA2 GLY 39 19.705 11.239 1.535 269 2HA GLY 39 HA3 GLY 39 20.472 9.682 1.193 270 H GLY 40 H GLY 40 21.536 11.621 -1.309 271 1HA GLY 40 HA2 GLY 40 23.595 12.528 -1.749 272 2HA GLY 40 HA3 GLY 40 23.660 13.111 -0.074 273 H SER 41 H SER 41 25.822 12.470 0.297 274 HA SER 41 HA SER 41 26.639 9.722 -0.293 275 1HB SER 41 HB2 SER 41 28.891 10.750 0.349 276 2HB SER 41 HB3 SER 41 28.056 11.403 -1.074 277 HG SER 41 HG SER 41 28.893 13.041 0.360 278 H ALA 42 H ALA 42 25.121 11.091 2.338 279 HA ALA 42 HA ALA 42 26.204 9.063 4.205 280 1HB ALA 42 HB1 ALA 42 27.464 11.100 4.757 281 2HB ALA 42 HB2 ALA 42 25.948 12.028 4.876 282 3HB ALA 42 HB3 ALA 42 26.284 10.724 6.033 283 HA PRO 43 HA PRO 43 21.643 9.642 3.545 284 1HB PRO 43 HB2 PRO 43 20.822 7.079 3.242 285 2HB PRO 43 HB3 PRO 43 21.647 7.980 1.944 286 1HG PRO 43 HG2 PRO 43 22.942 6.083 3.929 287 2HG PRO 43 HG3 PRO 43 23.057 6.057 2.140 288 1HD PRO 43 HD2 PRO 43 24.960 7.276 3.635 289 2HD PRO 43 HD3 PRO 43 24.401 8.035 2.118 290 H GLU 44 H GLU 44 23.430 7.997 6.013 291 HA GLU 44 HA GLU 44 21.627 7.278 7.986 292 1HB GLU 44 HB2 GLU 44 24.074 7.163 8.201 293 2HB GLU 44 HB3 GLU 44 24.201 8.904 8.091 294 1HG GLU 44 HG2 GLU 44 24.540 8.130 10.367 295 2HG GLU 44 HG3 GLU 44 23.165 9.211 10.246 296 H ASN 45 H ASN 45 22.562 10.572 6.945 297 HA ASN 45 HA ASN 45 21.284 11.990 9.017 298 1HB ASN 45 HB2 ASN 45 21.871 13.880 7.889 299 2HB ASN 45 HB3 ASN 45 22.983 12.745 7.133 300 1HD2 ASN 45 HD22 ASN 45 22.459 12.000 4.899 301 2HD2 ASN 45 HD21 ASN 45 21.415 12.971 3.893 302 H ASP 46 H ASP 46 19.927 10.467 6.217 303 HA ASP 46 HA ASP 46 17.448 12.097 6.380 304 1HB ASP 46 HB2 ASP 46 19.003 11.976 4.287 305 2HB ASP 46 HB3 ASP 46 18.260 10.395 4.028 306 H ILE 47 H ILE 47 18.473 9.022 7.303 307 HA ILE 47 HA ILE 47 16.338 7.305 6.709 308 HB ILE 47 HB ILE 47 18.019 7.642 9.222 309 1HG1 ILE 47 HG12 ILE 47 18.117 5.658 6.903 310 2HG1 ILE 47 HG13 ILE 47 19.184 7.043 7.106 311 1HG2 ILE 47 HG21 ILE 47 16.201 5.288 8.556 312 2HG2 ILE 47 HG22 ILE 47 17.314 5.392 9.937 313 3HG2 ILE 47 HG23 ILE 47 15.928 6.459 9.864 314 1HD1 ILE 47 HD11 ILE 47 19.110 4.553 8.818 315 2HD1 ILE 47 HD12 ILE 47 20.427 5.173 7.809 316 3HD1 ILE 47 HD13 ILE 47 19.970 6.044 9.285 317 H VAL 48 H VAL 48 16.425 9.990 9.067 318 HA VAL 48 HA VAL 48 14.005 9.494 10.404 319 HB VAL 48 HB VAL 48 15.279 12.164 9.663 320 1HG1 VAL 48 HG11 VAL 48 13.344 11.463 11.918 321 2HG1 VAL 48 HG12 VAL 48 14.165 13.026 11.709 322 3HG1 VAL 48 HG13 VAL 48 12.989 12.486 10.509 323 1HG2 VAL 48 HG21 VAL 48 16.914 10.762 10.850 324 2HG2 VAL 48 HG22 VAL 48 16.334 12.031 11.924 325 3HG2 VAL 48 HG23 VAL 48 15.712 10.377 12.102 326 H ALA 49 H ALA 49 14.580 11.009 7.192 327 HA ALA 49 HA ALA 49 11.903 11.994 6.899 328 1HB ALA 49 HB1 ALA 49 12.536 12.351 4.554 329 2HB ALA 49 HB2 ALA 49 13.839 12.910 5.626 330 3HB ALA 49 HB3 ALA 49 13.988 11.362 4.763 331 H ILE 50 H ILE 50 13.635 9.047 5.887 332 HA ILE 50 HA ILE 50 11.480 7.880 4.421 333 HB ILE 50 HB ILE 50 13.749 6.448 5.879 334 1HG1 ILE 50 HG12 ILE 50 13.719 7.549 3.022 335 2HG1 ILE 50 HG13 ILE 50 14.612 8.266 4.358 336 1HG2 ILE 50 HG21 ILE 50 13.387 4.691 4.172 337 2HG2 ILE 50 HG22 ILE 50 11.903 4.982 5.065 338 3HG2 ILE 50 HG23 ILE 50 12.097 5.659 3.432 339 1HD1 ILE 50 HD11 ILE 50 16.160 7.031 3.079 340 2HD1 ILE 50 HD12 ILE 50 15.934 6.171 4.607 341 3HD1 ILE 50 HD13 ILE 50 15.168 5.565 3.114 342 H ARG 51 H ARG 51 12.398 7.781 7.888 343 HA ARG 51 HA ARG 51 10.350 5.934 8.666 344 1HB ARG 51 HB2 ARG 51 11.954 8.001 10.223 345 2HB ARG 51 HB3 ARG 51 10.761 6.943 10.979 346 1HG ARG 51 HG2 ARG 51 11.965 4.945 10.229 347 2HG ARG 51 HG3 ARG 51 13.178 5.948 9.411 348 1HD ARG 51 HD2 ARG 51 13.874 6.933 11.531 349 2HD ARG 51 HD3 ARG 51 12.584 6.064 12.392 350 HE ARG 51 HE ARG 51 14.140 4.138 11.040 351 1HH1 ARG 51 HH21 ARG 51 14.558 6.448 13.710 352 2HH1 ARG 51 HH22 ARG 51 15.679 5.461 14.568 353 1HH2 ARG 51 HH11 ARG 51 15.585 2.823 12.175 354 2HH2 ARG 51 HH12 ARG 51 16.277 3.342 13.682 355 H GLU 52 H GLU 52 10.069 9.356 7.786 356 HA GLU 52 HA GLU 52 7.533 9.689 9.168 357 1HB GLU 52 HB2 GLU 52 8.470 11.092 6.625 358 2HB GLU 52 HB3 GLU 52 7.112 11.536 7.649 359 1HG GLU 52 HG2 GLU 52 8.778 11.853 9.552 360 2HG GLU 52 HG3 GLU 52 10.054 11.671 8.341 361 H LEU 53 H LEU 53 8.604 8.574 5.929 362 HA LEU 53 HA LEU 53 5.970 8.296 4.871 363 1HB LEU 53 HB2 LEU 53 8.552 6.983 3.939 364 2HB LEU 53 HB3 LEU 53 7.075 7.175 3.006 365 HG LEU 53 HG LEU 53 8.963 9.377 3.935 366 1HD1 LEU 53 HD11 LEU 53 9.802 8.133 2.048 367 2HD1 LEU 53 HD12 LEU 53 8.247 8.267 1.197 368 3HD1 LEU 53 HD13 LEU 53 9.242 9.712 1.483 369 1HD2 LEU 53 HD21 LEU 53 6.730 10.316 4.067 370 2HD2 LEU 53 HD22 LEU 53 7.535 10.944 2.635 371 3HD2 LEU 53 HD23 LEU 53 6.313 9.661 2.461 372 H ARG 54 H ARG 54 7.993 6.148 6.741 373 HA ARG 54 HA ARG 54 8.002 3.919 7.178 374 1HB ARG 54 HB2 ARG 54 5.021 4.389 7.556 375 2HB ARG 54 HB3 ARG 54 5.935 2.988 8.124 376 1HG ARG 54 HG2 ARG 54 7.381 4.570 9.490 377 2HG ARG 54 HG3 ARG 54 6.285 5.877 9.007 378 1HD ARG 54 HD2 ARG 54 5.623 5.122 11.185 379 2HD ARG 54 HD3 ARG 54 4.380 4.625 10.021 380 HE ARG 54 HE ARG 54 6.357 2.546 10.399 381 1HH1 ARG 54 HH21 ARG 54 3.509 3.963 12.011 382 2HH1 ARG 54 HH22 ARG 54 3.147 2.524 12.890 383 1HH2 ARG 54 HH11 ARG 54 5.934 0.760 11.512 384 2HH2 ARG 54 HH12 ARG 54 4.571 0.596 12.606 385 HA PRO 55 HA PRO 55 6.617 3.238 2.764 386 1HB PRO 55 HB2 PRO 55 9.314 1.903 2.588 387 2HB PRO 55 HB3 PRO 55 8.492 2.948 1.390 388 1HG PRO 55 HG2 PRO 55 10.477 3.950 2.941 389 2HG PRO 55 HG3 PRO 55 8.984 4.908 2.654 390 1HD PRO 55 HD2 PRO 55 9.687 3.292 5.095 391 2HD PRO 55 HD3 PRO 55 9.006 4.918 4.956 392 H THR 56 H THR 56 5.866 1.328 1.691 393 HA THR 56 HA THR 56 5.660 -1.103 3.263 394 HB THR 56 HB THR 56 5.106 -0.830 0.301 395 HG1 THR 56 HG1 THR 56 3.480 0.181 2.394 396 1HG2 THR 56 HG21 THR 56 4.720 -3.035 1.319 397 2HG2 THR 56 HG22 THR 56 3.655 -2.306 2.541 398 3HG2 THR 56 HG23 THR 56 3.185 -2.301 0.827 399 H ARG 57 H ARG 57 7.631 0.182 0.578 400 HA ARG 57 HA ARG 57 9.532 -2.058 0.865 401 1HB ARG 57 HB2 ARG 57 7.894 -2.806 -0.796 402 2HB ARG 57 HB3 ARG 57 8.085 -1.311 -1.708 403 1HG ARG 57 HG2 ARG 57 10.398 -1.930 -2.297 404 2HG ARG 57 HG3 ARG 57 10.318 -3.343 -1.234 405 1HD ARG 57 HD2 ARG 57 10.018 -4.043 -3.534 406 2HD ARG 57 HD3 ARG 57 8.494 -4.277 -2.651 407 HE ARG 57 HE ARG 57 8.719 -1.691 -3.995 408 1HH1 ARG 57 HH21 ARG 57 7.784 -5.107 -4.504 409 2HH1 ARG 57 HH22 ARG 57 6.770 -4.752 -5.873 410 1HH2 ARG 57 HH11 ARG 57 7.561 -1.293 -5.921 411 2HH2 ARG 57 HH12 ARG 57 6.776 -2.607 -6.789 412 H LEU 58 H LEU 58 11.604 -1.572 -0.064 413 HA LEU 58 HA LEU 58 12.128 1.243 -0.869 414 1HB LEU 58 HB2 LEU 58 12.352 1.246 1.534 415 2HB LEU 58 HB3 LEU 58 13.247 -0.276 1.510 416 HG LEU 58 HG LEU 58 15.177 0.812 0.493 417 1HD1 LEU 58 HD11 LEU 58 14.074 2.652 -0.770 418 2HD1 LEU 58 HD12 LEU 58 13.600 3.403 0.770 419 3HD1 LEU 58 HD13 LEU 58 15.311 3.257 0.326 420 1HD2 LEU 58 HD21 LEU 58 14.889 0.775 3.004 421 2HD2 LEU 58 HD22 LEU 58 15.885 2.116 2.423 422 3HD2 LEU 58 HD23 LEU 58 14.201 2.402 2.906 423 H LEU 59 H LEU 59 13.705 1.363 -2.377 424 HA LEU 59 HA LEU 59 15.560 -0.930 -2.794 425 1HB LEU 59 HB2 LEU 59 14.020 -0.838 -4.724 426 2HB LEU 59 HB3 LEU 59 14.309 0.896 -4.885 427 HG LEU 59 HG LEU 59 16.668 0.498 -5.468 428 1HD1 LEU 59 HD11 LEU 59 15.963 -2.468 -5.339 429 2HD1 LEU 59 HD12 LEU 59 17.458 -1.789 -6.012 430 3HD1 LEU 59 HD13 LEU 59 17.126 -1.619 -4.294 431 1HD2 LEU 59 HD21 LEU 59 14.970 0.627 -7.251 432 2HD2 LEU 59 HD22 LEU 59 16.316 -0.430 -7.693 433 3HD2 LEU 59 HD23 LEU 59 14.767 -1.135 -7.187 434 H ILE 60 H ILE 60 17.666 -0.243 -2.719 435 HA ILE 60 HA ILE 60 18.174 2.687 -2.560 436 HB ILE 60 HB ILE 60 19.721 0.456 -1.237 437 1HG1 ILE 60 HG12 ILE 60 17.783 2.212 0.310 438 2HG1 ILE 60 HG13 ILE 60 17.284 0.659 -0.340 439 1HG2 ILE 60 HG21 ILE 60 20.605 2.366 0.179 440 2HG2 ILE 60 HG22 ILE 60 20.973 2.564 -1.532 441 3HG2 ILE 60 HG23 ILE 60 19.649 3.485 -0.808 442 1HD1 ILE 60 HD11 ILE 60 18.955 -0.544 0.872 443 2HD1 ILE 60 HD12 ILE 60 19.608 0.952 1.570 444 3HD1 ILE 60 HD13 ILE 60 17.960 0.432 1.972 445 H VAL 61 H VAL 61 20.010 3.467 -3.750 446 HA VAL 61 HA VAL 61 21.427 1.485 -5.455 447 HB VAL 61 HB VAL 61 20.048 3.989 -6.488 448 1HG1 VAL 61 HG11 VAL 61 21.614 1.786 -7.892 449 2HG1 VAL 61 HG12 VAL 61 20.637 3.001 -8.741 450 3HG1 VAL 61 HG13 VAL 61 22.029 3.511 -7.797 451 1HG2 VAL 61 HG21 VAL 61 18.291 2.397 -6.031 452 2HG2 VAL 61 HG22 VAL 61 18.561 2.444 -7.770 453 3HG2 VAL 61 HG23 VAL 61 19.204 1.090 -6.817 454 H ASP 62 H ASP 62 23.518 1.925 -5.753 455 HA ASP 62 HA ASP 62 24.635 4.543 -5.975 456 1HB ASP 62 HB2 ASP 62 24.588 4.342 -3.499 457 2HB ASP 62 HB3 ASP 62 25.576 2.887 -3.617 458 H ALA 63 H ALA 63 27.184 4.097 -6.279 459 HA ALA 63 HA ALA 63 27.597 1.790 -8.024 460 1HB ALA 63 HB1 ALA 63 28.685 3.953 -8.512 461 2HB ALA 63 HB2 ALA 63 29.524 3.896 -6.942 462 3HB ALA 63 HB3 ALA 63 29.894 2.696 -8.199 463 H THR 64 H THR 64 29.247 0.154 -7.562 464 HA THR 64 HA THR 64 30.146 -0.231 -4.784 465 HB THR 64 HB THR 64 28.515 -2.386 -6.203 466 HG1 THR 64 HG1 THR 64 27.619 -0.365 -4.482 467 1HG2 THR 64 HG21 THR 64 29.385 -1.987 -3.309 468 2HG2 THR 64 HG22 THR 64 28.326 -3.291 -3.881 469 3HG2 THR 64 HG23 THR 64 29.998 -3.202 -4.451 470 H ASP 65 H ASP 65 32.215 -1.213 -4.909 471 HA ASP 65 HA ASP 65 33.166 -1.957 -7.593 472 1HB ASP 65 HB2 ASP 65 34.671 -0.639 -6.220 473 2HB ASP 65 HB3 ASP 65 34.671 -1.896 -4.969 474 H MET 66 H MET 66 31.896 -3.711 -8.032 475 HA MET 66 HA MET 66 31.667 -6.002 -6.247 476 1HB MET 66 HB2 MET 66 30.716 -5.445 -9.108 477 2HB MET 66 HB3 MET 66 30.314 -6.891 -8.162 478 1HG MET 66 HG2 MET 66 29.345 -5.425 -6.390 479 2HG MET 66 HG3 MET 66 29.613 -4.026 -7.414 480 1HE MET 66 HE1 MET 66 28.097 -3.204 -9.208 481 2HE MET 66 HE2 MET 66 28.722 -4.503 -10.250 482 3HE MET 66 HE3 MET 66 26.971 -4.210 -10.148 483 H GLY 67 H GLY 67 34.082 -4.956 -8.412 484 1HA GLY 67 HA2 GLY 67 35.969 -5.996 -9.202 485 2HA GLY 67 HA3 GLY 67 35.471 -7.518 -8.437 486 H LEU 68 H LEU 68 33.343 -5.684 -10.596 487 HA LEU 68 HA LEU 68 33.407 -7.926 -12.581 488 1HB LEU 68 HB2 LEU 68 31.223 -5.902 -11.939 489 2HB LEU 68 HB3 LEU 68 31.116 -7.165 -13.163 490 HG LEU 68 HG LEU 68 31.380 -7.656 -10.197 491 1HD1 LEU 68 HD11 LEU 68 29.183 -6.727 -10.833 492 2HD1 LEU 68 HD12 LEU 68 29.002 -7.985 -12.070 493 3HD1 LEU 68 HD13 LEU 68 29.037 -8.421 -10.347 494 1HD2 LEU 68 HD21 LEU 68 30.949 -9.632 -12.475 495 2HD2 LEU 68 HD22 LEU 68 32.384 -9.521 -11.429 496 3HD2 LEU 68 HD23 LEU 68 30.840 -10.011 -10.742 497 H ASN 69 H ASN 69 32.198 -6.719 -14.662 498 HA ASN 69 HA ASN 69 34.284 -5.008 -15.846 499 1HB ASN 69 HB2 ASN 69 33.024 -6.774 -17.149 500 2HB ASN 69 HB3 ASN 69 31.552 -5.824 -16.951 501 1HD2 ASN 69 HD22 ASN 69 31.502 -3.571 -18.030 502 2HD2 ASN 69 HD21 ASN 69 32.527 -3.367 -19.418 503 HA PRO 70 HA PRO 70 32.361 -1.091 -14.537 504 1HB PRO 70 HB2 PRO 70 32.966 -0.422 -17.430 505 2HB PRO 70 HB3 PRO 70 33.088 0.632 -15.984 506 1HG PRO 70 HG2 PRO 70 35.308 -0.571 -16.928 507 2HG PRO 70 HG3 PRO 70 34.979 -0.626 -15.165 508 1HD PRO 70 HD2 PRO 70 34.510 -2.785 -17.222 509 2HD PRO 70 HD3 PRO 70 35.154 -2.926 -15.558 510 H GLY 71 H GLY 71 30.278 -0.373 -14.491 511 1HA GLY 71 HA2 GLY 71 28.143 0.085 -15.176 512 2HA GLY 71 HA3 GLY 71 28.547 -0.432 -16.817 513 H GLU 72 H GLU 72 29.395 -3.025 -14.758 514 HA GLU 72 HA GLU 72 27.023 -4.570 -15.346 515 1HB GLU 72 HB2 GLU 72 29.482 -4.934 -13.604 516 2HB GLU 72 HB3 GLU 72 28.116 -6.007 -13.391 517 1HG GLU 72 HG2 GLU 72 29.195 -5.565 -16.187 518 2HG GLU 72 HG3 GLU 72 30.022 -6.657 -15.079 519 H ILE 73 H ILE 73 25.408 -5.158 -13.910 520 HA ILE 73 HA ILE 73 24.955 -3.378 -11.569 521 HB ILE 73 HB ILE 73 22.960 -4.307 -13.690 522 1HG1 ILE 73 HG12 ILE 73 23.867 -1.442 -13.208 523 2HG1 ILE 73 HG13 ILE 73 24.573 -2.468 -14.449 524 1HG2 ILE 73 HG21 ILE 73 21.446 -2.653 -12.434 525 2HG2 ILE 73 HG22 ILE 73 21.852 -4.116 -11.555 526 3HG2 ILE 73 HG23 ILE 73 22.713 -2.609 -11.188 527 1HD1 ILE 73 HD11 ILE 73 22.402 -2.749 -15.548 528 2HD1 ILE 73 HD12 ILE 73 21.652 -1.650 -14.366 529 3HD1 ILE 73 HD13 ILE 73 22.907 -1.060 -15.457 530 H ARG 74 H ARG 74 24.170 -4.502 -9.725 531 HA ARG 74 HA ARG 74 23.066 -7.219 -10.120 532 1HB ARG 74 HB2 ARG 74 25.369 -6.645 -8.233 533 2HB ARG 74 HB3 ARG 74 24.442 -8.133 -8.280 534 1HG ARG 74 HG2 ARG 74 26.124 -7.141 -10.603 535 2HG ARG 74 HG3 ARG 74 26.677 -8.276 -9.371 536 1HD ARG 74 HD2 ARG 74 24.883 -9.855 -9.974 537 2HD ARG 74 HD3 ARG 74 24.316 -8.760 -11.237 538 HE ARG 74 HE ARG 74 26.707 -10.474 -11.221 539 1HH1 ARG 74 HH11 ARG 74 25.108 -7.739 -12.895 540 2HH1 ARG 74 HH12 ARG 74 26.090 -7.897 -14.330 541 1HH2 ARG 74 HH21 ARG 74 27.919 -10.689 -13.118 542 2HH2 ARG 74 HH22 ARG 74 27.760 -9.520 -14.425 543 H ILE 75 H ILE 75 21.754 -7.898 -8.395 544 HA ILE 75 HA ILE 75 20.829 -5.852 -6.464 545 HB ILE 75 HB ILE 75 20.160 -8.813 -6.822 546 1HG1 ILE 75 HG12 ILE 75 19.366 -7.608 -8.730 547 2HG1 ILE 75 HG13 ILE 75 18.002 -8.072 -7.732 548 1HG2 ILE 75 HG21 ILE 75 18.175 -8.347 -5.381 549 2HG2 ILE 75 HG22 ILE 75 19.709 -8.247 -4.522 550 3HG2 ILE 75 HG23 ILE 75 18.872 -6.755 -4.995 551 1HD1 ILE 75 HD11 ILE 75 19.227 -5.282 -7.889 552 2HD1 ILE 75 HD12 ILE 75 17.693 -5.809 -8.598 553 3HD1 ILE 75 HD13 ILE 75 17.865 -5.741 -6.835 554 H ILE 76 H ILE 76 21.350 -5.933 -4.206 555 HA ILE 76 HA ILE 76 23.290 -7.982 -3.323 556 HB ILE 76 HB ILE 76 23.798 -5.174 -2.409 557 1HG1 ILE 76 HG12 ILE 76 24.886 -6.230 -5.054 558 2HG1 ILE 76 HG13 ILE 76 23.803 -4.847 -4.843 559 1HG2 ILE 76 HG21 ILE 76 24.978 -7.217 -1.417 560 2HG2 ILE 76 HG22 ILE 76 25.674 -7.521 -3.004 561 3HG2 ILE 76 HG23 ILE 76 26.090 -6.057 -2.089 562 1HD1 ILE 76 HD11 ILE 76 25.562 -3.657 -3.552 563 2HD1 ILE 76 HD12 ILE 76 26.688 -4.996 -3.896 564 3HD1 ILE 76 HD13 ILE 76 26.037 -4.051 -5.220 565 H ASP 77 H ASP 77 23.474 -7.849 -0.849 566 HA ASP 77 HA ASP 77 20.823 -7.427 0.426 567 1HB ASP 77 HB2 ASP 77 20.974 -9.732 -0.421 568 2HB ASP 77 HB3 ASP 77 22.580 -9.924 0.276 569 HA PRO 78 HA PRO 78 23.359 -5.531 3.477 570 1HB PRO 78 HB2 PRO 78 22.202 -6.328 5.906 571 2HB PRO 78 HB3 PRO 78 21.646 -4.999 4.849 572 1HG PRO 78 HG2 PRO 78 20.690 -7.877 4.901 573 2HG PRO 78 HG3 PRO 78 19.695 -6.389 4.882 574 1HD PRO 78 HD2 PRO 78 20.098 -7.695 2.599 575 2HD PRO 78 HD3 PRO 78 20.320 -5.932 2.591 576 H ASP 79 H ASP 79 23.054 -9.052 3.748 577 HA ASP 79 HA ASP 79 25.142 -9.416 5.706 578 1HB ASP 79 HB2 ASP 79 23.452 -11.133 5.161 579 2HB ASP 79 HB3 ASP 79 24.115 -11.270 3.526 580 H ASP 80 H ASP 80 25.190 -8.606 2.317 581 HA ASP 80 HA ASP 80 28.067 -9.388 2.053 582 1HB ASP 80 HB2 ASP 80 26.475 -10.718 0.716 583 2HB ASP 80 HB3 ASP 80 25.875 -9.241 -0.040 584 H ILE 81 H ILE 81 25.691 -6.823 1.530 585 HA ILE 81 HA ILE 81 27.226 -4.860 0.210 586 HB ILE 81 HB ILE 81 25.147 -4.733 2.417 587 1HG1 ILE 81 HG12 ILE 81 24.970 -3.949 -0.532 588 2HG1 ILE 81 HG13 ILE 81 24.563 -5.541 0.082 589 1HG2 ILE 81 HG21 ILE 81 24.817 -2.343 2.078 590 2HG2 ILE 81 HG22 ILE 81 26.472 -2.619 2.601 591 3HG2 ILE 81 HG23 ILE 81 26.128 -2.289 0.892 592 1HD1 ILE 81 HD11 ILE 81 23.119 -2.956 0.623 593 2HD1 ILE 81 HD12 ILE 81 22.503 -4.486 -0.053 594 3HD1 ILE 81 HD13 ILE 81 22.899 -4.384 1.658 595 H ALA 82 H ALA 82 27.280 -5.906 3.592 596 HA ALA 82 HA ALA 82 28.834 -3.919 4.737 597 1HB ALA 82 HB1 ALA 82 28.841 -6.915 5.309 598 2HB ALA 82 HB2 ALA 82 29.382 -5.651 6.435 599 3HB ALA 82 HB3 ALA 82 27.669 -5.740 5.967 600 H GLU 83 H GLU 83 29.930 -6.512 2.605 601 HA GLU 83 HA GLU 83 32.781 -5.767 3.122 602 1HB GLU 83 HB2 GLU 83 31.561 -8.178 1.721 603 2HB GLU 83 HB3 GLU 83 33.290 -7.801 1.775 604 1HG GLU 83 HG2 GLU 83 33.217 -7.891 4.271 605 2HG GLU 83 HG3 GLU 83 31.517 -8.356 4.195 606 H MET 84 H MET 84 30.299 -6.155 0.598 607 HA MET 84 HA MET 84 32.084 -5.501 -1.527 608 1HB MET 84 HB2 MET 84 29.037 -5.597 -1.369 609 2HB MET 84 HB3 MET 84 29.901 -5.199 -2.859 610 1HG MET 84 HG2 MET 84 30.377 -7.739 -1.259 611 2HG MET 84 HG3 MET 84 29.316 -7.604 -2.651 612 1HE MET 84 HE1 MET 84 31.528 -9.811 -2.500 613 2HE MET 84 HE2 MET 84 30.438 -9.573 -3.885 614 3HE MET 84 HE3 MET 84 32.189 -9.729 -4.149 615 H PHE 85 H PHE 85 30.206 -3.352 0.561 616 HA PHE 85 HA PHE 85 30.715 -1.076 -1.200 617 1HB PHE 85 HB2 PHE 85 29.375 -1.456 1.455 618 2HB PHE 85 HB3 PHE 85 30.130 0.096 1.126 619 HD1 PHE 85 HD1 PHE 85 28.894 1.722 0.030 620 HD2 PHE 85 HD2 PHE 85 27.981 -2.433 -0.720 621 HE1 PHE 85 HE1 PHE 85 27.330 2.383 -1.773 622 HE2 PHE 85 HE2 PHE 85 26.385 -1.746 -2.488 623 HZ PHE 85 HZ PHE 85 26.151 0.655 -3.080 624 H MET 86 H MET 86 32.310 -2.402 1.750 625 HA MET 86 HA MET 86 34.175 -0.184 1.725 626 1HB MET 86 HB2 MET 86 35.404 -1.277 3.447 627 2HB MET 86 HB3 MET 86 33.684 -1.273 3.823 628 1HG MET 86 HG2 MET 86 33.496 -3.625 3.285 629 2HG MET 86 HG3 MET 86 35.150 -3.676 2.658 630 1HE MET 86 HE1 MET 86 35.418 -5.855 4.138 631 2HE MET 86 HE2 MET 86 35.404 -5.869 5.916 632 3HE MET 86 HE3 MET 86 33.880 -5.700 5.028 633 H MET 87 H MET 87 34.011 -3.155 -0.071 634 HA MET 87 HA MET 87 36.655 -3.525 -0.831 635 1HB MET 87 HB2 MET 87 34.640 -4.926 -1.423 636 2HB MET 87 HB3 MET 87 34.205 -3.707 -2.628 637 1HG MET 87 HG2 MET 87 35.304 -5.575 -3.678 638 2HG MET 87 HG3 MET 87 36.291 -4.129 -3.841 639 1HE MET 87 HE1 MET 87 38.327 -5.592 -4.632 640 2HE MET 87 HE2 MET 87 38.939 -7.010 -3.752 641 3HE MET 87 HE3 MET 87 37.321 -7.052 -4.486 642 H THR 88 H THR 88 34.516 -0.824 -1.744 643 HA THR 88 HA THR 88 35.887 0.133 -4.032 644 HB THR 88 HB THR 88 34.883 2.311 -3.355 645 HG1 THR 88 HG1 THR 88 33.694 1.050 -1.133 646 1HG2 THR 88 HG21 THR 88 33.454 0.773 -4.587 647 2HG2 THR 88 HG22 THR 88 32.959 -0.044 -3.085 648 3HG2 THR 88 HG23 THR 88 32.507 1.650 -3.379 649 H THR 89 H THR 89 36.632 0.275 -0.671 650 HA THR 89 HA THR 89 39.005 0.763 -0.014 651 HB THR 89 HB THR 89 38.180 3.475 -1.137 652 HG1 THR 89 HG1 THR 89 39.214 2.126 -2.541 653 1HG2 THR 89 HG21 THR 89 40.329 4.326 -0.187 654 2HG2 THR 89 HG22 THR 89 39.154 3.910 1.062 655 3HG2 THR 89 HG23 THR 89 40.507 2.808 0.724 656 H HIS 90 H HIS 90 35.782 2.368 0.081 657 HA HIS 90 HA HIS 90 35.381 1.521 2.775 658 1HB HIS 90 HB2 HIS 90 36.855 3.491 3.278 659 2HB HIS 90 HB3 HIS 90 35.734 4.537 2.421 660 HD1 HIS 90 HD1 HIS 90 33.393 5.096 3.756 661 HD2 HIS 90 HD2 HIS 90 36.147 2.561 5.703 662 HE1 HIS 90 HE1 HIS 90 32.642 4.943 6.179 663 H ASN 91 H ASN 91 34.444 3.996 0.345 664 HA ASN 91 HA ASN 91 32.547 5.103 -0.052 665 1HB ASN 91 HB2 ASN 91 32.114 3.034 -1.353 666 2HB ASN 91 HB3 ASN 91 31.149 2.394 -0.023 667 1HD2 ASN 91 HD22 ASN 91 29.992 2.813 -2.598 668 2HD2 ASN 91 HD21 ASN 91 28.841 4.129 -2.464 669 H MET 92 H MET 92 30.387 2.974 1.601 670 HA MET 92 HA MET 92 30.675 4.073 4.248 671 1HB MET 92 HB2 MET 92 28.200 4.558 2.513 672 2HB MET 92 HB3 MET 92 28.089 4.443 4.266 673 1HG MET 92 HG2 MET 92 29.747 6.488 2.758 674 2HG MET 92 HG3 MET 92 28.159 6.760 3.461 675 1HE MET 92 HE1 MET 92 29.010 8.884 4.702 676 2HE MET 92 HE2 MET 92 30.445 8.922 5.751 677 3HE MET 92 HE3 MET 92 30.628 8.636 4.007 678 HA PRO 93 HA PRO 93 29.383 -0.285 4.353 679 1HB PRO 93 HB2 PRO 93 29.188 -0.736 7.044 680 2HB PRO 93 HB3 PRO 93 30.740 -0.459 6.212 681 1HG PRO 93 HG2 PRO 93 29.074 1.567 7.729 682 2HG PRO 93 HG3 PRO 93 30.829 1.248 7.868 683 1HD PRO 93 HD2 PRO 93 29.810 3.270 6.315 684 2HD PRO 93 HD3 PRO 93 31.294 2.374 5.867 685 H LEU 94 H LEU 94 27.487 1.015 3.314 686 HA LEU 94 HA LEU 94 25.289 2.041 4.495 687 1HB LEU 94 HB2 LEU 94 25.700 0.633 1.838 688 2HB LEU 94 HB3 LEU 94 24.134 1.343 2.252 689 HG LEU 94 HG LEU 94 26.778 2.774 1.884 690 1HD1 LEU 94 HD11 LEU 94 24.117 3.176 0.467 691 2HD1 LEU 94 HD12 LEU 94 25.721 3.796 0.003 692 3HD1 LEU 94 HD13 LEU 94 25.372 2.066 -0.106 693 1HD2 LEU 94 HD21 LEU 94 25.483 4.903 2.241 694 2HD2 LEU 94 HD22 LEU 94 24.140 3.926 2.887 695 3HD2 LEU 94 HD23 LEU 94 25.711 3.972 3.713 696 H ASN 95 H ASN 95 25.822 -1.337 4.660 697 HA ASN 95 HA ASN 95 23.165 -2.266 4.933 698 1HB ASN 95 HB2 ASN 95 24.012 -4.151 5.846 699 2HB ASN 95 HB3 ASN 95 25.478 -3.571 5.075 700 1HD2 ASN 95 HD22 ASN 95 26.679 -1.807 6.859 701 2HD2 ASN 95 HD21 ASN 95 26.876 -2.589 8.398 702 H TYR 96 H TYR 96 24.993 -0.083 7.059 703 HA TYR 96 HA TYR 96 23.480 -0.438 9.422 704 1HB TYR 96 HB2 TYR 96 24.230 1.748 10.086 705 2HB TYR 96 HB3 TYR 96 25.548 0.871 9.343 706 HD1 TYR 96 HD1 TYR 96 22.928 3.509 8.557 707 HD2 TYR 96 HD2 TYR 96 26.882 1.998 7.766 708 HE1 TYR 96 HE1 TYR 96 23.325 5.384 7.029 709 HE2 TYR 96 HE2 TYR 96 27.349 3.965 6.351 710 HH TYR 96 HH TYR 96 26.499 5.983 5.482 711 H LEU 97 H LEU 97 22.647 1.276 6.411 712 HA LEU 97 HA LEU 97 20.446 2.743 7.632 713 1HB LEU 97 HB2 LEU 97 21.635 3.600 5.696 714 2HB LEU 97 HB3 LEU 97 21.210 2.196 4.724 715 HG LEU 97 HG LEU 97 18.876 3.612 5.957 716 1HD1 LEU 97 HD11 LEU 97 18.914 5.459 4.345 717 2HD1 LEU 97 HD12 LEU 97 20.347 5.530 5.375 718 3HD1 LEU 97 HD13 LEU 97 20.490 4.891 3.724 719 1HD2 LEU 97 HD21 LEU 97 17.910 3.282 3.713 720 2HD2 LEU 97 HD22 LEU 97 19.474 2.705 3.107 721 3HD2 LEU 97 HD23 LEU 97 18.575 1.760 4.314 722 H ILE 98 H ILE 98 20.856 -0.224 5.723 723 HA ILE 98 HA ILE 98 18.099 -0.838 5.427 724 HB ILE 98 HB ILE 98 20.555 -2.653 5.522 725 1HG1 ILE 98 HG12 ILE 98 19.039 -1.497 3.146 726 2HG1 ILE 98 HG13 ILE 98 20.565 -0.858 3.747 727 1HG2 ILE 98 HG21 ILE 98 18.598 -4.035 5.908 728 2HG2 ILE 98 HG22 ILE 98 17.704 -3.238 4.606 729 3HG2 ILE 98 HG23 ILE 98 19.084 -4.278 4.237 730 1HD1 ILE 98 HD11 ILE 98 21.082 -2.179 1.859 731 2HD1 ILE 98 HD12 ILE 98 21.648 -3.072 3.281 732 3HD1 ILE 98 HD13 ILE 98 20.152 -3.561 2.439 733 H ASP 99 H ASP 99 20.538 -1.856 7.915 734 HA ASP 99 HA ASP 99 18.749 -3.436 9.397 735 1HB ASP 99 HB2 ASP 99 21.193 -3.485 9.678 736 2HB ASP 99 HB3 ASP 99 21.180 -1.835 10.307 737 H GLN 100 H GLN 100 19.129 0.062 9.378 738 HA GLN 100 HA GLN 100 17.566 0.464 11.827 739 1HB GLN 100 HB2 GLN 100 18.855 2.290 9.771 740 2HB GLN 100 HB3 GLN 100 17.776 2.927 11.011 741 1HG GLN 100 HG2 GLN 100 19.172 2.023 12.803 742 2HG GLN 100 HG3 GLN 100 20.270 1.294 11.629 743 1HE2 GLN 100 HE22 GLN 100 21.495 2.723 10.217 744 2HE2 GLN 100 HE21 GLN 100 21.813 4.421 10.654 745 H LEU 101 H LEU 101 16.616 -0.396 8.707 746 HA LEU 101 HA LEU 101 13.972 0.973 9.049 747 1HB LEU 101 HB2 LEU 101 15.726 0.728 6.580 748 2HB LEU 101 HB3 LEU 101 14.007 1.081 6.485 749 HG LEU 101 HG LEU 101 15.965 2.823 8.038 750 1HD1 LEU 101 HD11 LEU 101 14.868 3.203 5.226 751 2HD1 LEU 101 HD12 LEU 101 15.865 4.369 6.136 752 3HD1 LEU 101 HD13 LEU 101 16.540 2.804 5.660 753 1HD2 LEU 101 HD21 LEU 101 13.658 3.139 8.799 754 2HD2 LEU 101 HD22 LEU 101 14.123 4.525 7.802 755 3HD2 LEU 101 HD23 LEU 101 13.080 3.265 7.126 756 H LYS 102 H LYS 102 15.687 -1.943 8.032 757 HA LYS 102 HA LYS 102 13.553 -3.336 6.880 758 1HB LYS 102 HB2 LYS 102 14.856 -5.290 7.189 759 2HB LYS 102 HB3 LYS 102 16.013 -3.974 6.964 760 1HG LYS 102 HG2 LYS 102 16.371 -3.881 9.430 761 2HG LYS 102 HG3 LYS 102 15.260 -5.249 9.629 762 1HD LYS 102 HD2 LYS 102 16.709 -6.642 8.165 763 2HD LYS 102 HD3 LYS 102 17.849 -5.288 8.019 764 1HE LYS 102 HE2 LYS 102 18.155 -5.294 10.496 765 2HE LYS 102 HE3 LYS 102 17.019 -6.639 10.633 766 1HZ LYS 102 HZ1 LYS 102 19.615 -6.753 9.204 767 2HZ LYS 102 HZ2 LYS 102 19.312 -7.382 10.673 768 3HZ LYS 102 HZ3 LYS 102 18.566 -8.002 9.364 769 H GLU 103 H GLU 103 13.967 -2.492 10.229 770 HA GLU 103 HA GLU 103 12.293 -4.517 11.358 771 1HB GLU 103 HB2 GLU 103 13.134 -1.777 12.391 772 2HB GLU 103 HB3 GLU 103 12.332 -3.029 13.352 773 1HG GLU 103 HG2 GLU 103 14.257 -4.576 12.838 774 2HG GLU 103 HG3 GLU 103 15.095 -3.216 12.087 775 H ASP 104 H ASP 104 11.516 -1.816 9.390 776 HA ASP 104 HA ASP 104 8.694 -1.722 10.406 777 1HB ASP 104 HB2 ASP 104 9.862 0.243 11.214 778 2HB ASP 104 HB3 ASP 104 10.530 0.564 9.610 779 H ILE 105 H ILE 105 10.920 -1.136 7.627 780 HA ILE 105 HA ILE 105 8.760 -0.947 5.718 781 HB ILE 105 HB ILE 105 11.770 -1.289 5.381 782 1HG1 ILE 105 HG12 ILE 105 9.949 1.150 5.389 783 2HG1 ILE 105 HG13 ILE 105 11.264 0.798 6.506 784 1HG2 ILE 105 HG21 ILE 105 9.658 -0.534 3.304 785 2HG2 ILE 105 HG22 ILE 105 11.410 -0.586 3.031 786 3HG2 ILE 105 HG23 ILE 105 10.561 -2.065 3.378 787 1HD1 ILE 105 HD11 ILE 105 11.491 1.660 3.617 788 2HD1 ILE 105 HD12 ILE 105 12.096 2.466 5.066 789 3HD1 ILE 105 HD13 ILE 105 12.856 0.958 4.515 790 H GLY 106 H GLY 106 8.047 -2.536 4.345 791 1HA GLY 106 HA2 GLY 106 7.941 -5.192 5.373 792 2HA GLY 106 HA3 GLY 106 7.309 -4.622 3.819 793 H GLU 107 H GLU 107 9.740 -3.770 2.515 794 HA GLU 107 HA GLU 107 11.624 -6.011 2.699 795 1HB GLU 107 HB2 GLU 107 9.849 -6.689 1.067 796 2HB GLU 107 HB3 GLU 107 10.099 -5.177 0.186 797 1HG GLU 107 HG2 GLU 107 11.213 -7.008 -0.951 798 2HG GLU 107 HG3 GLU 107 12.390 -5.845 -0.356 799 H VAL 108 H VAL 108 13.703 -5.319 2.202 800 HA VAL 108 HA VAL 108 14.065 -2.574 1.130 801 HB VAL 108 HB VAL 108 15.486 -3.741 3.561 802 1HG1 VAL 108 HG11 VAL 108 16.995 -2.327 2.303 803 2HG1 VAL 108 HG12 VAL 108 15.749 -1.097 2.065 804 3HG1 VAL 108 HG13 VAL 108 16.429 -1.375 3.685 805 1HG2 VAL 108 HG21 VAL 108 13.226 -3.066 4.188 806 2HG2 VAL 108 HG22 VAL 108 14.424 -1.957 4.864 807 3HG2 VAL 108 HG23 VAL 108 13.481 -1.472 3.442 808 H ILE 109 H ILE 109 15.364 -2.683 -0.594 809 HA ILE 109 HA ILE 109 17.196 -5.020 -0.955 810 HB ILE 109 HB ILE 109 15.291 -3.659 -2.910 811 1HG1 ILE 109 HG12 ILE 109 15.181 -6.613 -2.252 812 2HG1 ILE 109 HG13 ILE 109 14.469 -5.491 -1.115 813 1HG2 ILE 109 HG21 ILE 109 17.254 -5.951 -3.372 814 2HG2 ILE 109 HG22 ILE 109 15.969 -5.502 -4.508 815 3HG2 ILE 109 HG23 ILE 109 17.263 -4.362 -4.173 816 1HD1 ILE 109 HD11 ILE 109 13.706 -5.591 -4.038 817 2HD1 ILE 109 HD12 ILE 109 12.796 -6.318 -2.697 818 3HD1 ILE 109 HD13 ILE 109 12.981 -4.561 -2.758 819 H PHE 110 H PHE 110 19.026 -4.548 -2.381 820 HA PHE 110 HA PHE 110 19.628 -1.666 -2.753 821 1HB PHE 110 HB2 PHE 110 20.808 -2.899 -0.758 822 2HB PHE 110 HB3 PHE 110 21.736 -3.705 -2.025 823 HD1 PHE 110 HD1 PHE 110 21.434 -0.780 0.044 824 HD2 PHE 110 HD2 PHE 110 23.043 -2.178 -3.707 825 HE1 PHE 110 HE1 PHE 110 22.774 1.286 -0.160 826 HE2 PHE 110 HE2 PHE 110 24.240 -0.043 -3.987 827 HZ PHE 110 HZ PHE 110 24.106 1.709 -2.213 828 H LEU 111 H LEU 111 20.711 -1.245 -4.719 829 HA LEU 111 HA LEU 111 21.448 -3.547 -6.446 830 1HB LEU 111 HB2 LEU 111 19.340 -2.680 -7.214 831 2HB LEU 111 HB3 LEU 111 19.915 -1.012 -7.142 832 HG LEU 111 HG LEU 111 21.386 -2.981 -8.890 833 1HD1 LEU 111 HD11 LEU 111 18.763 -1.603 -9.637 834 2HD1 LEU 111 HD12 LEU 111 19.821 -2.496 -10.752 835 3HD1 LEU 111 HD13 LEU 111 19.015 -3.351 -9.441 836 1HD2 LEU 111 HD21 LEU 111 22.304 -0.671 -8.746 837 2HD2 LEU 111 HD22 LEU 111 21.649 -0.954 -10.335 838 3HD2 LEU 111 HD23 LEU 111 20.713 -0.009 -9.172 839 H GLY 112 H GLY 112 23.509 -3.346 -7.191 840 1HA GLY 112 HA2 GLY 112 24.973 -0.796 -6.631 841 2HA GLY 112 HA3 GLY 112 25.679 -2.395 -6.483 842 H ILE 113 H ILE 113 26.620 -0.256 -8.131 843 HA ILE 113 HA ILE 113 26.442 -1.473 -10.844 844 HB ILE 113 HB ILE 113 26.500 1.479 -10.100 845 1HG1 ILE 113 HG12 ILE 113 24.271 -0.021 -11.548 846 2HG1 ILE 113 HG13 ILE 113 24.246 0.329 -9.819 847 1HG2 ILE 113 HG21 ILE 113 26.481 0.136 -12.839 848 2HG2 ILE 113 HG22 ILE 113 26.332 1.890 -12.553 849 3HG2 ILE 113 HG23 ILE 113 27.818 1.064 -12.134 850 1HD1 ILE 113 HD11 ILE 113 24.214 2.374 -12.046 851 2HD1 ILE 113 HD12 ILE 113 22.967 2.029 -10.835 852 3HD1 ILE 113 HD13 ILE 113 24.501 2.751 -10.326 853 H GLN 114 H GLN 114 28.477 -1.991 -11.603 854 HA GLN 114 HA GLN 114 30.781 -1.643 -9.989 855 1HB GLN 114 HB2 GLN 114 30.470 -3.529 -11.475 856 2HB GLN 114 HB3 GLN 114 30.433 -2.469 -12.881 857 1HG GLN 114 HG2 GLN 114 32.580 -3.584 -12.687 858 2HG GLN 114 HG3 GLN 114 32.795 -1.860 -12.528 859 1HE2 GLN 114 HE22 GLN 114 34.275 -1.348 -10.921 860 2HE2 GLN 114 HE21 GLN 114 34.596 -2.359 -9.498 861 HA PRO 115 HA PRO 115 31.988 2.475 -11.724 862 1HB PRO 115 HB2 PRO 115 33.924 3.082 -9.948 863 2HB PRO 115 HB3 PRO 115 32.191 3.152 -9.494 864 1HG PRO 115 HG2 PRO 115 34.156 0.892 -8.989 865 2HG PRO 115 HG3 PRO 115 33.059 1.691 -7.812 866 1HD PRO 115 HD2 PRO 115 32.390 -0.616 -9.086 867 2HD PRO 115 HD3 PRO 115 31.174 0.632 -8.704 868 H ASP 116 H ASP 116 34.204 3.335 -12.398 869 HA ASP 116 HA ASP 116 36.222 1.220 -12.986 870 1HB ASP 116 HB2 ASP 116 34.818 1.694 -14.992 871 2HB ASP 116 HB3 ASP 116 35.272 3.390 -14.890 872 H ILE 117 H ILE 117 35.516 4.682 -12.305 873 HA ILE 117 HA ILE 117 38.449 5.138 -11.926 874 HB ILE 117 HB ILE 117 38.195 7.330 -12.925 875 1HG1 ILE 117 HG12 ILE 117 36.304 7.995 -14.258 876 2HG1 ILE 117 HG13 ILE 117 35.393 6.546 -13.806 877 1HG2 ILE 117 HG21 ILE 117 37.143 5.211 -14.840 878 2HG2 ILE 117 HG22 ILE 117 38.055 6.668 -15.243 879 3HG2 ILE 117 HG23 ILE 117 38.843 5.369 -14.332 880 1HD1 ILE 117 HD11 ILE 117 36.227 8.723 -11.866 881 2HD1 ILE 117 HD12 ILE 117 34.651 8.631 -12.688 882 3HD1 ILE 117 HD13 ILE 117 35.106 7.367 -11.560 883 H VAL 118 H VAL 118 35.802 4.845 -10.160 884 HA VAL 118 HA VAL 118 34.996 7.062 -9.006 885 HB VAL 118 HB VAL 118 34.192 4.818 -8.614 886 1HG1 VAL 118 HG11 VAL 118 34.947 3.370 -6.853 887 2HG1 VAL 118 HG12 VAL 118 36.284 3.640 -7.983 888 3HG1 VAL 118 HG13 VAL 118 36.254 4.484 -6.418 889 1HG2 VAL 118 HG21 VAL 118 34.515 6.441 -6.088 890 2HG2 VAL 118 HG22 VAL 118 33.319 6.660 -7.393 891 3HG2 VAL 118 HG23 VAL 118 33.283 5.193 -6.405 892 H GLY 119 H GLY 119 35.739 8.817 -8.071 893 1HA GLY 119 HA2 GLY 119 37.462 9.076 -5.901 894 2HA GLY 119 HA3 GLY 119 38.472 9.163 -7.360 895 H PHE 120 H PHE 120 38.093 11.399 -5.630 896 HA PHE 120 HA PHE 120 35.902 13.068 -6.351 897 1HB PHE 120 HB2 PHE 120 38.542 13.712 -5.007 898 2HB PHE 120 HB3 PHE 120 37.160 14.795 -5.117 899 HD1 PHE 120 HD1 PHE 120 34.878 13.982 -4.164 900 HD2 PHE 120 HD2 PHE 120 38.673 12.178 -3.161 901 HE1 PHE 120 HE1 PHE 120 33.868 12.966 -2.140 902 HE2 PHE 120 HE2 PHE 120 37.652 11.171 -1.138 903 HZ PHE 120 HZ PHE 120 35.248 11.559 -0.624 904 H TYR 121 H TYR 121 35.810 14.871 -7.490 905 HA TYR 121 HA TYR 121 36.005 16.296 -9.165 906 1HB TYR 121 HB2 TYR 121 39.010 16.162 -8.781 907 2HB TYR 121 HB3 TYR 121 38.090 17.460 -9.525 908 HD1 TYR 121 HD1 TYR 121 39.504 16.250 -6.459 909 HD2 TYR 121 HD2 TYR 121 36.290 18.662 -8.036 910 HE1 TYR 121 HE1 TYR 121 39.240 17.337 -4.249 911 HE2 TYR 121 HE2 TYR 121 36.016 19.753 -5.835 912 HH TYR 121 HH TYR 121 36.773 19.883 -3.632 913 H TYR 122 H TYR 122 35.553 13.718 -9.933 914 HA TYR 122 HA TYR 122 36.736 13.741 -12.663 915 1HB TYR 122 HB2 TYR 122 36.030 11.285 -11.011 916 2HB TYR 122 HB3 TYR 122 36.483 11.260 -12.703 917 HD1 TYR 122 HD1 TYR 122 38.892 13.157 -12.653 918 HD2 TYR 122 HD2 TYR 122 37.686 9.896 -10.095 919 HE1 TYR 122 HE1 TYR 122 41.250 12.754 -12.065 920 HE2 TYR 122 HE2 TYR 122 40.046 9.469 -9.516 921 HH TYR 122 HH TYR 122 42.748 11.452 -10.837 922 HA PRO 123 HA PRO 123 32.314 13.442 -13.642 923 1HB PRO 123 HB2 PRO 123 32.383 12.735 -16.257 924 2HB PRO 123 HB3 PRO 123 32.931 14.352 -15.713 925 1HG PRO 123 HG2 PRO 123 34.627 11.907 -16.301 926 2HG PRO 123 HG3 PRO 123 34.874 13.588 -16.874 927 1HD PRO 123 HD2 PRO 123 36.160 12.532 -14.678 928 2HD PRO 123 HD3 PRO 123 35.726 14.265 -14.797 929 H MET 124 H MET 124 30.748 11.707 -14.109 930 HA MET 124 HA MET 124 31.514 9.002 -13.379 931 1HB MET 124 HB2 MET 124 29.297 9.972 -12.887 932 2HB MET 124 HB3 MET 124 28.996 10.213 -14.615 933 1HG MET 124 HG2 MET 124 29.159 7.736 -14.945 934 2HG MET 124 HG3 MET 124 29.324 7.536 -13.208 935 1HE MET 124 HE1 MET 124 27.259 9.629 -11.952 936 2HE MET 124 HE2 MET 124 25.833 8.585 -11.859 937 3HE MET 124 HE3 MET 124 27.438 7.923 -11.469 938 H THR 125 H THR 125 32.009 7.340 -14.789 939 HA THR 125 HA THR 125 32.671 8.091 -17.535 940 HB THR 125 HB THR 125 33.393 5.651 -17.657 941 HG1 THR 125 HG1 THR 125 32.847 5.783 -14.855 942 1HG2 THR 125 HG21 THR 125 35.026 7.323 -17.443 943 2HG2 THR 125 HG22 THR 125 34.634 7.607 -15.741 944 3HG2 THR 125 HG23 THR 125 35.410 6.073 -16.248 945 H GLN 126 H GLN 126 31.948 7.028 -19.430 946 HA GLN 126 HA GLN 126 29.267 7.100 -19.840 947 1HB GLN 126 HB2 GLN 126 31.234 7.152 -21.459 948 2HB GLN 126 HB3 GLN 126 31.171 5.397 -21.493 949 1HG GLN 126 HG2 GLN 126 28.897 7.293 -22.236 950 2HG GLN 126 HG3 GLN 126 29.995 6.549 -23.387 951 1HE2 GLN 126 HE22 GLN 126 26.917 6.309 -22.492 952 2HE2 GLN 126 HE21 GLN 126 26.659 4.586 -22.613 953 HA PRO 127 HA PRO 127 28.648 2.415 -19.602 954 1HB PRO 127 HB2 PRO 127 30.203 0.840 -17.936 955 2HB PRO 127 HB3 PRO 127 30.458 1.057 -19.691 956 1HG PRO 127 HG2 PRO 127 31.842 2.467 -17.409 957 2HG PRO 127 HG3 PRO 127 32.562 1.793 -18.902 958 1HD PRO 127 HD2 PRO 127 32.033 4.424 -18.606 959 2HD PRO 127 HD3 PRO 127 31.826 3.622 -20.185 960 H ILE 128 H ILE 128 29.732 4.225 -16.708 961 HA ILE 128 HA ILE 128 27.749 2.885 -15.021 962 HB ILE 128 HB ILE 128 29.609 5.227 -14.514 963 1HG1 ILE 128 HG12 ILE 128 30.624 3.758 -12.860 964 2HG1 ILE 128 HG13 ILE 128 29.473 2.474 -13.187 965 1HG2 ILE 128 HG21 ILE 128 28.869 5.172 -12.166 966 2HG2 ILE 128 HG22 ILE 128 27.488 5.523 -13.198 967 3HG2 ILE 128 HG23 ILE 128 27.684 3.904 -12.536 968 1HD1 ILE 128 HD11 ILE 128 31.421 3.468 -15.273 969 2HD1 ILE 128 HD12 ILE 128 31.846 2.226 -14.090 970 3HD1 ILE 128 HD13 ILE 128 30.529 1.927 -15.240 971 H LYS 129 H LYS 129 28.044 5.943 -16.866 972 HA LYS 129 HA LYS 129 25.509 7.032 -16.109 973 1HB LYS 129 HB2 LYS 129 26.995 7.216 -18.773 974 2HB LYS 129 HB3 LYS 129 25.519 8.102 -18.403 975 1HG LYS 129 HG2 LYS 129 26.612 9.281 -16.567 976 2HG LYS 129 HG3 LYS 129 28.120 8.383 -16.853 977 1HD LYS 129 HD2 LYS 129 28.349 9.351 -19.075 978 2HD LYS 129 HD3 LYS 129 26.766 10.153 -18.932 979 1HE LYS 129 HE2 LYS 129 27.591 11.470 -17.012 980 2HE LYS 129 HE3 LYS 129 29.164 10.670 -17.124 981 1HZ LYS 129 HZ1 LYS 129 27.989 12.397 -19.230 982 2HZ LYS 129 HZ2 LYS 129 29.182 12.832 -18.210 983 3HZ LYS 129 HZ3 LYS 129 29.452 11.667 -19.315 984 H ASP 130 H ASP 130 26.358 4.771 -18.755 985 HA ASP 130 HA ASP 130 23.723 4.368 -19.718 986 1HB ASP 130 HB2 ASP 130 25.701 3.673 -20.967 987 2HB ASP 130 HB3 ASP 130 26.129 2.509 -19.712 988 H ALA 131 H ALA 131 25.547 2.643 -17.172 989 HA ALA 131 HA ALA 131 23.549 0.720 -16.610 990 1HB ALA 131 HB1 ALA 131 25.638 1.935 -14.761 991 2HB ALA 131 HB2 ALA 131 24.701 0.468 -14.431 992 3HB ALA 131 HB3 ALA 131 25.841 0.503 -15.793 993 H VAL 132 H VAL 132 24.114 3.972 -15.085 994 HA VAL 132 HA VAL 132 21.942 3.803 -13.266 995 HB VAL 132 HB VAL 132 23.373 6.162 -14.559 996 1HG1 VAL 132 HG11 VAL 132 22.363 7.499 -12.621 997 2HG1 VAL 132 HG12 VAL 132 21.239 7.083 -13.926 998 3HG1 VAL 132 HG13 VAL 132 21.227 6.160 -12.411 999 1HG2 VAL 132 HG21 VAL 132 23.472 5.098 -11.697 1000 2HG2 VAL 132 HG22 VAL 132 24.679 4.714 -12.938 1001 3HG2 VAL 132 HG23 VAL 132 24.468 6.386 -12.412 1002 H GLU 133 H GLU 133 22.045 4.929 -16.710 1003 HA GLU 133 HA GLU 133 19.278 5.654 -16.707 1004 1HB GLU 133 HB2 GLU 133 20.981 6.515 -18.265 1005 2HB GLU 133 HB3 GLU 133 21.052 4.940 -19.073 1006 1HG GLU 133 HG2 GLU 133 18.814 5.139 -19.873 1007 2HG GLU 133 HG3 GLU 133 18.413 6.411 -18.718 1008 H THR 134 H THR 134 20.911 2.538 -17.151 1009 HA THR 134 HA THR 134 18.578 1.169 -18.204 1010 HB THR 134 HB THR 134 21.038 0.051 -16.786 1011 HG1 THR 134 HG1 THR 134 21.602 1.257 -18.613 1012 1HG2 THR 134 HG21 THR 134 20.528 -1.999 -18.086 1013 2HG2 THR 134 HG22 THR 134 19.220 -1.605 -16.962 1014 3HG2 THR 134 HG23 THR 134 19.036 -1.238 -18.692 1015 H VAL 135 H VAL 135 19.988 1.630 -14.900 1016 HA VAL 135 HA VAL 135 17.994 0.127 -13.510 1017 HB VAL 135 HB VAL 135 19.717 2.493 -12.651 1018 1HG1 VAL 135 HG11 VAL 135 19.275 1.728 -10.320 1019 2HG1 VAL 135 HG12 VAL 135 17.816 2.337 -11.103 1020 3HG1 VAL 135 HG13 VAL 135 18.060 0.586 -10.937 1021 1HG2 VAL 135 HG21 VAL 135 20.018 -0.495 -12.119 1022 2HG2 VAL 135 HG22 VAL 135 20.951 0.398 -13.323 1023 3HG2 VAL 135 HG23 VAL 135 21.129 0.810 -11.626 1024 H TYR 136 H TYR 136 18.188 3.597 -14.442 1025 HA TYR 136 HA TYR 136 15.755 4.489 -13.410 1026 1HB TYR 136 HB2 TYR 136 17.367 6.019 -14.314 1027 2HB TYR 136 HB3 TYR 136 17.336 5.233 -15.876 1028 HD1 TYR 136 HD1 TYR 136 15.909 5.935 -17.601 1029 HD2 TYR 136 HD2 TYR 136 15.162 7.155 -13.519 1030 HE1 TYR 136 HE1 TYR 136 14.082 7.433 -18.376 1031 HE2 TYR 136 HE2 TYR 136 13.335 8.630 -14.287 1032 HH TYR 136 HH TYR 136 12.108 9.361 -16.062 1033 H GLN 137 H GLN 137 16.325 2.932 -16.651 1034 HA GLN 137 HA GLN 137 13.563 2.962 -17.391 1035 1HB GLN 137 HB2 GLN 137 15.938 1.262 -18.224 1036 2HB GLN 137 HB3 GLN 137 14.325 0.986 -18.896 1037 1HG GLN 137 HG2 GLN 137 14.207 3.121 -19.891 1038 2HG GLN 137 HG3 GLN 137 15.529 3.764 -18.915 1039 1HE2 GLN 137 HE22 GLN 137 17.662 3.325 -19.432 1040 2HE2 GLN 137 HE21 GLN 137 18.150 2.648 -20.986 1041 H ARG 138 H ARG 138 15.472 0.572 -15.554 1042 HA ARG 138 HA ARG 138 13.420 -1.403 -15.430 1043 1HB ARG 138 HB2 ARG 138 16.052 -0.981 -14.186 1044 2HB ARG 138 HB3 ARG 138 14.897 -1.571 -13.000 1045 1HG ARG 138 HG2 ARG 138 15.889 -3.486 -13.944 1046 2HG ARG 138 HG3 ARG 138 14.263 -3.419 -14.609 1047 1HD ARG 138 HD2 ARG 138 15.125 -2.532 -16.733 1048 2HD ARG 138 HD3 ARG 138 16.749 -2.367 -16.041 1049 HE ARG 138 HE ARG 138 15.889 -5.053 -15.697 1050 1HH1 ARG 138 HH21 ARG 138 16.895 -2.907 -18.348 1051 2HH1 ARG 138 HH22 ARG 138 17.577 -4.173 -19.299 1052 1HH2 ARG 138 HH11 ARG 138 16.759 -6.724 -16.958 1053 2HH2 ARG 138 HH12 ARG 138 17.486 -6.410 -18.490 1054 H LEU 139 H LEU 139 13.714 1.608 -13.625 1055 HA LEU 139 HA LEU 139 12.094 0.964 -11.419 1056 1HB LEU 139 HB2 LEU 139 12.156 3.558 -12.991 1057 2HB LEU 139 HB3 LEU 139 11.492 3.382 -11.384 1058 HG LEU 139 HG LEU 139 14.414 3.067 -12.135 1059 1HD1 LEU 139 HD11 LEU 139 13.606 5.359 -12.260 1060 2HD1 LEU 139 HD12 LEU 139 12.908 5.233 -10.633 1061 3HD1 LEU 139 HD13 LEU 139 14.665 5.155 -10.857 1062 1HD2 LEU 139 HD21 LEU 139 13.126 2.957 -9.380 1063 2HD2 LEU 139 HD22 LEU 139 13.911 1.598 -10.221 1064 3HD2 LEU 139 HD23 LEU 139 14.869 2.989 -9.717 1065 H GLU 140 H GLU 140 11.116 1.259 -14.781 1066 HA GLU 140 HA GLU 140 8.327 1.812 -14.187 1067 1HB GLU 140 HB2 GLU 140 9.704 2.521 -16.183 1068 2HB GLU 140 HB3 GLU 140 9.609 0.857 -16.776 1069 1HG GLU 140 HG2 GLU 140 7.112 1.096 -16.866 1070 2HG GLU 140 HG3 GLU 140 7.267 2.749 -16.262 1071 H GLY 141 H GLY 141 10.189 -1.051 -13.935 1072 1HA GLY 141 HA2 GLY 141 7.754 -2.768 -14.079 1073 2HA GLY 141 HA3 GLY 141 9.100 -3.099 -15.169 1074 H TRP 142 H TRP 142 10.853 -2.183 -12.601 1075 HA TRP 142 HA TRP 142 11.447 -4.732 -11.538 1076 1HB TRP 142 HB2 TRP 142 13.008 -2.886 -11.394 1077 2HB TRP 142 HB3 TRP 142 11.845 -1.888 -10.541 1078 HD1 TRP 142 HD1 TRP 142 14.619 -4.316 -9.927 1079 HE1 TRP 142 HE1 TRP 142 14.994 -4.628 -7.402 1080 HE3 TRP 142 HE3 TRP 142 10.427 -1.948 -8.144 1081 HZ2 TRP 142 HZ2 TRP 142 13.865 -3.632 -4.982 1082 HZ3 TRP 142 HZ3 TRP 142 10.158 -1.586 -5.731 1083 HH2 TRP 142 HH2 TRP 142 11.858 -2.428 -4.122 1084 H GLU 143 H GLU 143 10.582 -5.855 -9.897 1085 HA GLU 143 HA GLU 143 8.766 -4.566 -7.969 1086 1HB GLU 143 HB2 GLU 143 8.178 -6.919 -9.785 1087 2HB GLU 143 HB3 GLU 143 7.501 -6.957 -8.172 1088 1HG GLU 143 HG2 GLU 143 7.024 -4.738 -10.196 1089 2HG GLU 143 HG3 GLU 143 5.912 -6.039 -9.789 1090 H GLY 144 H GLY 144 11.655 -5.599 -8.086 1091 1HA GLY 144 HA2 GLY 144 12.187 -6.163 -5.564 1092 2HA GLY 144 HA3 GLY 144 11.670 -7.774 -6.091 1093 H ASN 145 H ASN 145 12.694 -7.603 -8.785 1094 HA ASN 145 HA ASN 145 15.646 -7.699 -8.283 1095 1HB ASN 145 HB2 ASN 145 14.783 -9.909 -8.054 1096 2HB ASN 145 HB3 ASN 145 13.747 -9.742 -9.477 1097 1HD2 ASN 145 HD22 ASN 145 17.155 -10.165 -8.429 1098 2HD2 ASN 145 HD21 ASN 145 17.730 -10.570 -10.042 1099 H GLY 146 H GLY 146 13.123 -6.889 -10.632 1100 1HA GLY 146 HA2 GLY 146 13.242 -5.829 -12.657 1101 2HA GLY 146 HA3 GLY 146 14.787 -5.179 -12.098 1102 H GLY 147 H GLY 147 14.829 -8.642 -12.361 1103 1HA GLY 147 HA2 GLY 147 15.453 -10.072 -14.053 1104 2HA GLY 147 HA3 GLY 147 15.616 -8.724 -15.184 1105 H PHE 148 H PHE 148 17.297 -7.877 -12.294 1106 HA PHE 148 HA PHE 148 19.877 -8.328 -13.581 1107 1HB PHE 148 HB2 PHE 148 19.081 -7.205 -10.881 1108 2HB PHE 148 HB3 PHE 148 20.725 -7.225 -11.514 1109 HD1 PHE 148 HD1 PHE 148 17.851 -5.241 -11.183 1110 HD2 PHE 148 HD2 PHE 148 20.933 -6.226 -14.021 1111 HE1 PHE 148 HE1 PHE 148 17.498 -3.056 -12.317 1112 HE2 PHE 148 HE2 PHE 148 20.492 -4.099 -15.235 1113 HZ PHE 148 HZ PHE 148 18.799 -2.494 -14.366 1114 H ALA 149 H ALA 149 21.630 -9.262 -12.245 1115 HA ALA 149 HA ALA 149 20.804 -11.861 -11.025 1116 1HB ALA 149 HB1 ALA 149 22.488 -12.076 -12.782 1117 2HB ALA 149 HB2 ALA 149 23.519 -10.864 -12.001 1118 3HB ALA 149 HB3 ALA 149 23.226 -12.425 -11.208 1119 H GLN 150 H GLN 150 21.635 -12.410 -8.978 1120 HA GLN 150 HA GLN 150 21.957 -10.118 -7.163 1121 1HB GLN 150 HB2 GLN 150 20.276 -12.101 -6.944 1122 2HB GLN 150 HB3 GLN 150 21.653 -13.052 -6.402 1123 1HG GLN 150 HG2 GLN 150 20.713 -10.432 -5.143 1124 2HG GLN 150 HG3 GLN 150 20.189 -12.024 -4.612 1125 1HE2 GLN 150 HE22 GLN 150 22.781 -9.668 -4.470 1126 2HE2 GLN 150 HE21 GLN 150 23.927 -10.678 -3.609 1127 H LEU 151 H LEU 151 23.947 -9.552 -6.474 1128 HA LEU 151 HA LEU 151 26.349 -10.724 -7.386 1129 1HB LEU 151 HB2 LEU 151 26.062 -8.356 -6.676 1130 2HB LEU 151 HB3 LEU 151 25.799 -8.882 -5.021 1131 HG LEU 151 HG LEU 151 28.138 -9.766 -4.944 1132 1HD1 LEU 151 HD11 LEU 151 29.734 -9.123 -6.731 1133 2HD1 LEU 151 HD12 LEU 151 28.528 -10.255 -7.342 1134 3HD1 LEU 151 HD13 LEU 151 28.388 -8.525 -7.721 1135 1HD2 LEU 151 HD21 LEU 151 29.210 -7.481 -5.040 1136 2HD2 LEU 151 HD22 LEU 151 27.715 -6.869 -5.782 1137 3HD2 LEU 151 HD23 LEU 151 27.681 -7.532 -4.146 1138 H ALA 152 H ALA 152 27.201 -12.640 -6.747 1139 HA ALA 152 HA ALA 152 27.162 -13.476 -3.918 1140 1HB ALA 152 HB1 ALA 152 26.173 -15.665 -4.504 1141 2HB ALA 152 HB2 ALA 152 25.047 -14.341 -4.844 1142 3HB ALA 152 HB3 ALA 152 25.928 -15.119 -6.180 1143 H VAL 153 H VAL 153 29.400 -12.605 -4.816 1144 HA VAL 153 HA VAL 153 31.415 -12.849 -5.733 1145 HB VAL 153 HB VAL 153 32.670 -14.408 -4.418 1146 1HG1 VAL 153 HG11 VAL 153 30.563 -12.965 -2.778 1147 2HG1 VAL 153 HG12 VAL 153 32.180 -13.453 -2.242 1148 3HG1 VAL 153 HG13 VAL 153 32.013 -12.236 -3.510 1149 1HG2 VAL 153 HG21 VAL 153 31.709 -15.852 -2.708 1150 2HG2 VAL 153 HG22 VAL 153 30.062 -15.403 -3.183 1151 3HG2 VAL 153 HG23 VAL 153 31.080 -16.358 -4.280 1152 H GLU 154 H GLU 154 29.977 -13.434 -7.783 1153 HA GLU 154 HA GLU 154 30.395 -15.965 -9.025 1154 1HB GLU 154 HB2 GLU 154 29.672 -14.815 -11.062 1155 2HB GLU 154 HB3 GLU 154 28.637 -14.414 -9.693 1156 1HG GLU 154 HG2 GLU 154 30.009 -12.254 -9.433 1157 2HG GLU 154 HG3 GLU 154 30.767 -12.654 -10.975 1158 H GLU 155 H GLU 155 31.876 -16.552 -10.676 1159 HA GLU 155 HA GLU 155 34.295 -14.922 -11.106 1160 1HB GLU 155 HB2 GLU 155 34.254 -17.773 -10.002 1161 2HB GLU 155 HB3 GLU 155 35.698 -16.998 -10.636 1162 1HG GLU 155 HG2 GLU 155 34.146 -16.115 -8.183 1163 2HG GLU 155 HG3 GLU 155 35.662 -16.992 -8.207 1164 H GLU 156 H GLU 156 32.029 -15.447 -12.760 1165 HA GLU 156 HA GLU 156 33.241 -16.733 -15.063 1166 1HB GLU 156 HB2 GLU 156 31.385 -18.248 -15.485 1167 2HB GLU 156 HB3 GLU 156 32.177 -18.664 -13.971 1168 1HG GLU 156 HG2 GLU 156 30.334 -17.523 -12.712 1169 2HG GLU 156 HG3 GLU 156 29.541 -17.147 -14.243 Start of MODEL 17 1 1H MET 1 H1 MET 1 -0.717 2.235 2.021 2 2H MET 1 H2 MET 1 -0.634 1.013 3.121 3 3H MET 1 H3 MET 1 0.141 2.430 3.394 4 HA MET 1 HA MET 1 1.729 0.815 2.781 5 1HB MET 1 HB2 MET 1 1.731 -0.280 0.629 6 2HB MET 1 HB3 MET 1 0.269 -0.689 1.514 7 1HG MET 1 HG2 MET 1 -1.015 0.924 0.112 8 2HG MET 1 HG3 MET 1 0.468 1.332 -0.761 9 1HE MET 1 HE1 MET 1 -1.608 -0.601 -3.447 10 2HE MET 1 HE2 MET 1 -2.230 0.491 -2.191 11 3HE MET 1 HE3 MET 1 -0.728 0.894 -3.056 12 H THR 2 H THR 2 3.643 1.416 1.644 13 HA THR 2 HA THR 2 3.572 3.779 -0.083 14 HB THR 2 HB THR 2 5.514 4.014 2.182 15 HG1 THR 2 HG1 THR 2 4.199 4.686 3.665 16 1HG2 THR 2 HG21 THR 2 4.906 6.437 1.926 17 2HG2 THR 2 HG22 THR 2 5.536 5.681 0.454 18 3HG2 THR 2 HG23 THR 2 3.788 5.976 0.630 19 H ASP 3 H ASP 3 5.783 4.102 -1.102 20 HA ASP 3 HA ASP 3 7.603 1.773 -0.920 21 1HB ASP 3 HB2 ASP 3 5.950 1.093 -2.573 22 2HB ASP 3 HB3 ASP 3 6.040 2.670 -3.372 23 H VAL 4 H VAL 4 9.715 2.452 -1.372 24 HA VAL 4 HA VAL 4 10.067 5.320 -2.143 25 HB VAL 4 HB VAL 4 11.213 3.840 0.256 26 1HG1 VAL 4 HG11 VAL 4 12.252 5.972 0.915 27 2HG1 VAL 4 HG12 VAL 4 12.920 5.414 -0.609 28 3HG1 VAL 4 HG13 VAL 4 11.721 6.724 -0.607 29 1HG2 VAL 4 HG21 VAL 4 8.915 4.574 0.683 30 2HG2 VAL 4 HG22 VAL 4 10.041 5.610 1.571 31 3HG2 VAL 4 HG23 VAL 4 9.290 6.198 0.083 32 H LEU 5 H LEU 5 11.967 5.872 -3.098 33 HA LEU 5 HA LEU 5 13.919 3.734 -3.820 34 1HB LEU 5 HB2 LEU 5 12.915 4.389 -5.888 35 2HB LEU 5 HB3 LEU 5 12.856 6.088 -5.411 36 HG LEU 5 HG LEU 5 15.322 6.254 -5.549 37 1HD1 LEU 5 HD11 LEU 5 16.598 4.408 -6.669 38 2HD1 LEU 5 HD12 LEU 5 16.063 3.988 -5.049 39 3HD1 LEU 5 HD13 LEU 5 15.193 3.339 -6.441 40 1HD2 LEU 5 HD21 LEU 5 13.936 6.811 -7.482 41 2HD2 LEU 5 HD22 LEU 5 15.479 6.121 -7.992 42 3HD2 LEU 5 HD23 LEU 5 14.000 5.133 -8.043 43 H LEU 6 H LEU 6 15.854 4.195 -2.824 44 HA LEU 6 HA LEU 6 16.346 6.987 -1.867 45 1HB LEU 6 HB2 LEU 6 16.003 5.563 0.022 46 2HB LEU 6 HB3 LEU 6 17.083 4.325 -0.648 47 HG LEU 6 HG LEU 6 19.006 5.906 -0.394 48 1HD1 LEU 6 HD11 LEU 6 17.876 8.056 -0.514 49 2HD1 LEU 6 HD12 LEU 6 16.950 7.686 0.956 50 3HD1 LEU 6 HD13 LEU 6 18.711 7.916 1.037 51 1HD2 LEU 6 HD21 LEU 6 17.398 5.305 2.106 52 2HD2 LEU 6 HD22 LEU 6 18.559 4.240 1.313 53 3HD2 LEU 6 HD23 LEU 6 19.126 5.735 2.072 54 H CYS 7 H CYS 7 17.490 7.774 -3.535 55 HA CYS 7 HA CYS 7 19.721 6.323 -4.769 56 1HB CYS 7 HB2 CYS 7 18.759 9.225 -4.782 57 2HB CYS 7 HB3 CYS 7 20.138 8.638 -5.702 58 HG CYS 7 HG CYS 7 18.152 8.837 -7.351 59 H VAL 8 H VAL 8 21.883 6.498 -4.146 60 HA VAL 8 HA VAL 8 22.694 8.397 -2.025 61 HB VAL 8 HB VAL 8 23.342 5.408 -2.043 62 1HG1 VAL 8 HG11 VAL 8 24.236 5.859 0.218 63 2HG1 VAL 8 HG12 VAL 8 25.105 6.757 -1.018 64 3HG1 VAL 8 HG13 VAL 8 23.911 7.594 -0.007 65 1HG2 VAL 8 HG21 VAL 8 21.038 5.528 -1.398 66 2HG2 VAL 8 HG22 VAL 8 21.991 5.241 0.051 67 3HG2 VAL 8 HG23 VAL 8 21.354 6.871 -0.275 68 H GLY 9 H GLY 9 24.904 9.043 -2.336 69 1HA GLY 9 HA2 GLY 9 27.022 7.975 -3.476 70 2HA GLY 9 HA3 GLY 9 26.094 8.304 -4.943 71 H ASN 10 H ASN 10 28.483 9.525 -4.749 72 HA ASN 10 HA ASN 10 27.870 12.359 -3.976 73 1HB ASN 10 HB2 ASN 10 29.558 11.264 -2.555 74 2HB ASN 10 HB3 ASN 10 30.523 10.894 -3.967 75 1HD2 ASN 10 HD22 ASN 10 30.255 13.059 -1.474 76 2HD2 ASN 10 HD21 ASN 10 31.048 14.443 -2.218 77 H SER 11 H SER 11 27.498 13.537 -5.702 78 HA SER 11 HA SER 11 27.718 12.765 -8.297 79 1HB SER 11 HB2 SER 11 27.713 15.662 -7.440 80 2HB SER 11 HB3 SER 11 26.822 14.894 -8.767 81 HG SER 11 HG SER 11 25.502 15.374 -6.936 82 H MET 12 H MET 12 30.457 13.861 -6.489 83 HA MET 12 HA MET 12 31.884 14.491 -9.027 84 1HB MET 12 HB2 MET 12 33.115 16.256 -7.947 85 2HB MET 12 HB3 MET 12 31.389 16.599 -7.868 86 1HG MET 12 HG2 MET 12 31.310 15.938 -5.519 87 2HG MET 12 HG3 MET 12 32.974 15.354 -5.583 88 1HE MET 12 HE1 MET 12 30.598 18.449 -5.454 89 2HE MET 12 HE2 MET 12 31.721 19.819 -5.582 90 3HE MET 12 HE3 MET 12 31.417 18.792 -6.995 91 H MET 13 H MET 13 31.591 12.102 -6.888 92 HA MET 13 HA MET 13 34.479 11.847 -6.332 93 1HB MET 13 HB2 MET 13 32.817 11.712 -4.494 94 2HB MET 13 HB3 MET 13 32.228 10.210 -5.201 95 1HG MET 13 HG2 MET 13 34.522 9.245 -4.911 96 2HG MET 13 HG3 MET 13 35.029 10.774 -4.180 97 1HE MET 13 HE1 MET 13 35.941 9.487 -2.171 98 2HE MET 13 HE2 MET 13 35.026 8.313 -1.193 99 3HE MET 13 HE3 MET 13 35.417 7.947 -2.893 100 H GLY 14 H GLY 14 33.427 11.606 -9.071 101 1HA GLY 14 HA2 GLY 14 33.999 10.281 -10.846 102 2HA GLY 14 HA3 GLY 14 34.529 9.004 -9.742 103 H ASP 15 H ASP 15 33.448 7.306 -10.525 104 HA ASP 15 HA ASP 15 30.798 7.245 -11.563 105 1HB ASP 15 HB2 ASP 15 32.623 5.109 -10.433 106 2HB ASP 15 HB3 ASP 15 31.069 4.747 -11.159 107 H ASP 16 H ASP 16 31.900 7.390 -8.300 108 HA ASP 16 HA ASP 16 29.896 6.018 -6.889 109 1HB ASP 16 HB2 ASP 16 32.052 7.007 -6.036 110 2HB ASP 16 HB3 ASP 16 31.262 8.584 -6.098 111 H GLY 17 H GLY 17 29.564 8.947 -8.781 112 1HA GLY 17 HA2 GLY 17 27.367 10.128 -7.342 113 2HA GLY 17 HA3 GLY 17 27.876 10.481 -8.998 114 H ALA 18 H ALA 18 26.930 7.148 -8.064 115 HA ALA 18 HA ALA 18 25.313 6.988 -10.410 116 1HB ALA 18 HB1 ALA 18 25.531 5.161 -7.998 117 2HB ALA 18 HB2 ALA 18 24.720 4.748 -9.520 118 3HB ALA 18 HB3 ALA 18 26.472 5.047 -9.507 119 H GLY 19 H GLY 19 24.396 7.054 -6.913 120 1HA GLY 19 HA2 GLY 19 21.601 7.000 -7.298 121 2HA GLY 19 HA3 GLY 19 22.436 7.686 -5.902 122 HA PRO 20 HA PRO 20 21.766 11.873 -7.121 123 1HB PRO 20 HB2 PRO 20 24.560 12.102 -8.313 124 2HB PRO 20 HB3 PRO 20 23.645 13.326 -7.373 125 1HG PRO 20 HG2 PRO 20 25.488 11.755 -6.158 126 2HG PRO 20 HG3 PRO 20 23.918 12.081 -5.357 127 1HD PRO 20 HD2 PRO 20 24.832 9.597 -6.755 128 2HD PRO 20 HD3 PRO 20 23.750 9.786 -5.351 129 H LEU 21 H LEU 21 23.479 10.144 -9.876 130 HA LEU 21 HA LEU 21 22.174 11.856 -11.805 131 1HB LEU 21 HB2 LEU 21 24.310 10.795 -12.285 132 2HB LEU 21 HB3 LEU 21 23.612 9.196 -12.075 133 HG LEU 21 HG LEU 21 22.125 9.591 -14.057 134 1HD1 LEU 21 HD11 LEU 21 23.642 12.234 -14.246 135 2HD1 LEU 21 HD12 LEU 21 22.659 11.551 -15.554 136 3HD1 LEU 21 HD13 LEU 21 21.890 12.024 -14.037 137 1HD2 LEU 21 HD21 LEU 21 23.871 9.442 -15.765 138 2HD2 LEU 21 HD22 LEU 21 25.071 10.080 -14.617 139 3HD2 LEU 21 HD23 LEU 21 24.311 8.502 -14.332 140 H LEU 22 H LEU 22 21.413 8.653 -10.351 141 HA LEU 22 HA LEU 22 19.152 8.110 -12.034 142 1HB LEU 22 HB2 LEU 22 20.141 6.358 -10.637 143 2HB LEU 22 HB3 LEU 22 19.796 7.271 -9.175 144 HG LEU 22 HG LEU 22 17.379 7.028 -9.529 145 1HD1 LEU 22 HD11 LEU 22 17.259 6.885 -11.994 146 2HD1 LEU 22 HD12 LEU 22 18.142 5.342 -11.963 147 3HD1 LEU 22 HD13 LEU 22 16.511 5.469 -11.256 148 1HD2 LEU 22 HD21 LEU 22 18.830 4.365 -9.748 149 2HD2 LEU 22 HD22 LEU 22 18.626 5.308 -8.254 150 3HD2 LEU 22 HD23 LEU 22 17.211 4.634 -9.074 151 H ALA 23 H ALA 23 19.495 9.815 -8.898 152 HA ALA 23 HA ALA 23 16.752 10.430 -8.504 153 1HB ALA 23 HB1 ALA 23 17.594 12.182 -6.976 154 2HB ALA 23 HB2 ALA 23 18.471 10.667 -6.717 155 3HB ALA 23 HB3 ALA 23 19.232 11.989 -7.623 156 H GLU 24 H GLU 24 19.292 12.176 -10.365 157 HA GLU 24 HA GLU 24 17.744 14.511 -10.883 158 1HB GLU 24 HB2 GLU 24 20.138 14.497 -11.247 159 2HB GLU 24 HB3 GLU 24 20.027 13.139 -12.352 160 1HG GLU 24 HG2 GLU 24 20.437 15.177 -13.584 161 2HG GLU 24 HG3 GLU 24 18.893 14.466 -14.030 162 H LYS 25 H LYS 25 18.171 11.483 -12.719 163 HA LYS 25 HA LYS 25 16.405 12.199 -14.861 164 1HB LYS 25 HB2 LYS 25 17.432 9.551 -13.781 165 2HB LYS 25 HB3 LYS 25 16.408 9.672 -15.234 166 1HG LYS 25 HG2 LYS 25 18.068 11.112 -16.326 167 2HG LYS 25 HG3 LYS 25 19.101 11.050 -14.891 168 1HD LYS 25 HD2 LYS 25 19.236 8.550 -15.157 169 2HD LYS 25 HD3 LYS 25 18.362 8.690 -16.689 170 1HE LYS 25 HE2 LYS 25 20.982 10.112 -16.025 171 2HE LYS 25 HE3 LYS 25 20.904 8.565 -16.869 172 1HZ LYS 25 HZ1 LYS 25 19.859 9.594 -18.726 173 2HZ LYS 25 HZ2 LYS 25 19.623 11.021 -17.928 174 3HZ LYS 25 HZ3 LYS 25 21.122 10.532 -18.338 175 H CYS 26 H CYS 26 15.803 10.334 -11.823 176 HA CYS 26 HA CYS 26 13.029 9.881 -12.364 177 1HB CYS 26 HB2 CYS 26 14.463 10.104 -9.681 178 2HB CYS 26 HB3 CYS 26 12.829 9.466 -9.955 179 HG CYS 26 HG CYS 26 15.729 8.367 -11.057 180 H ALA 27 H ALA 27 14.688 12.645 -10.708 181 HA ALA 27 HA ALA 27 12.301 13.947 -9.941 182 1HB ALA 27 HB1 ALA 27 13.716 15.964 -9.748 183 2HB ALA 27 HB2 ALA 27 14.503 14.548 -9.029 184 3HB ALA 27 HB3 ALA 27 15.022 15.144 -10.624 185 H ALA 28 H ALA 28 14.154 14.040 -13.025 186 HA ALA 28 HA ALA 28 12.629 16.146 -14.193 187 1HB ALA 28 HB1 ALA 28 14.249 13.924 -15.515 188 2HB ALA 28 HB2 ALA 28 13.696 15.420 -16.291 189 3HB ALA 28 HB3 ALA 28 14.885 15.496 -14.975 190 H ALA 29 H ALA 29 12.258 12.616 -14.087 191 HA ALA 29 HA ALA 29 9.509 12.713 -15.110 192 1HB ALA 29 HB1 ALA 29 10.153 11.050 -16.934 193 2HB ALA 29 HB2 ALA 29 10.633 12.737 -17.210 194 3HB ALA 29 HB3 ALA 29 11.842 11.566 -16.670 195 HA PRO 30 HA PRO 30 10.216 9.723 -11.716 196 1HB PRO 30 HB2 PRO 30 7.204 9.695 -11.946 197 2HB PRO 30 HB3 PRO 30 8.220 9.665 -10.469 198 1HG PRO 30 HG2 PRO 30 7.090 11.987 -11.284 199 2HG PRO 30 HG3 PRO 30 8.800 11.975 -10.740 200 1HD PRO 30 HD2 PRO 30 7.728 11.977 -13.569 201 2HD PRO 30 HD3 PRO 30 9.090 12.904 -12.865 202 H LYS 31 H LYS 31 9.377 7.492 -11.196 203 HA LYS 31 HA LYS 31 8.693 5.827 -13.543 204 1HB LYS 31 HB2 LYS 31 11.159 5.574 -11.735 205 2HB LYS 31 HB3 LYS 31 10.590 4.262 -12.758 206 1HG LYS 31 HG2 LYS 31 11.331 6.996 -13.901 207 2HG LYS 31 HG3 LYS 31 12.510 5.724 -13.663 208 1HD LYS 31 HD2 LYS 31 11.699 4.398 -15.332 209 2HD LYS 31 HD3 LYS 31 10.027 4.885 -15.096 210 1HE LYS 31 HE2 LYS 31 12.005 6.846 -16.249 211 2HE LYS 31 HE3 LYS 31 11.312 5.582 -17.269 212 1HZ LYS 31 HZ1 LYS 31 9.680 7.520 -15.735 213 2HZ LYS 31 HZ2 LYS 31 9.988 7.601 -17.351 214 3HZ LYS 31 HZ3 LYS 31 9.128 6.335 -16.740 215 H GLY 32 H GLY 32 7.985 3.690 -12.851 216 1HA GLY 32 HA2 GLY 32 6.537 2.400 -11.636 217 2HA GLY 32 HA3 GLY 32 7.782 2.546 -10.399 218 H ASN 33 H ASN 33 6.857 2.990 -8.511 219 HA ASN 33 HA ASN 33 4.944 5.249 -8.259 220 1HB ASN 33 HB2 ASN 33 3.690 3.067 -8.330 221 2HB ASN 33 HB3 ASN 33 4.619 2.520 -6.931 222 1HD2 ASN 33 HD22 ASN 33 2.646 5.436 -7.910 223 2HD2 ASN 33 HD21 ASN 33 1.813 5.552 -6.386 224 H TRP 34 H TRP 34 7.943 4.528 -7.643 225 HA TRP 34 HA TRP 34 8.124 4.363 -4.776 226 1HB TRP 34 HB2 TRP 34 10.458 5.281 -6.419 227 2HB TRP 34 HB3 TRP 34 10.389 4.149 -5.086 228 HD1 TRP 34 HD1 TRP 34 9.640 4.371 -8.837 229 HE1 TRP 34 HE1 TRP 34 9.988 2.086 -9.952 230 HE3 TRP 34 HE3 TRP 34 10.820 1.600 -4.682 231 HZ2 TRP 34 HZ2 TRP 34 10.822 -0.497 -9.197 232 HZ3 TRP 34 HZ3 TRP 34 11.476 -0.774 -4.937 233 HH2 TRP 34 HH2 TRP 34 11.491 -1.848 -7.180 234 H VAL 35 H VAL 35 8.181 6.059 -3.359 235 HA VAL 35 HA VAL 35 8.175 8.843 -4.239 236 HB VAL 35 HB VAL 35 8.614 7.585 -1.491 237 1HG1 VAL 35 HG11 VAL 35 8.067 9.836 -0.603 238 2HG1 VAL 35 HG12 VAL 35 9.542 9.866 -1.572 239 3HG1 VAL 35 HG13 VAL 35 8.021 10.479 -2.258 240 1HG2 VAL 35 HG21 VAL 35 6.354 7.089 -2.355 241 2HG2 VAL 35 HG22 VAL 35 6.273 8.260 -1.039 242 3HG2 VAL 35 HG23 VAL 35 6.103 8.808 -2.721 243 H VAL 36 H VAL 36 10.020 9.666 -5.138 244 HA VAL 36 HA VAL 36 12.580 8.347 -4.891 245 HB VAL 36 HB VAL 36 11.916 11.124 -5.969 246 1HG1 VAL 36 HG11 VAL 36 13.935 10.815 -7.362 247 2HG1 VAL 36 HG12 VAL 36 14.344 10.735 -5.647 248 3HG1 VAL 36 HG13 VAL 36 14.238 9.237 -6.597 249 1HG2 VAL 36 HG21 VAL 36 11.978 8.500 -7.524 250 2HG2 VAL 36 HG22 VAL 36 10.517 9.438 -7.151 251 3HG2 VAL 36 HG23 VAL 36 11.742 10.138 -8.191 252 H ILE 37 H ILE 37 14.126 8.760 -3.341 253 HA ILE 37 HA ILE 37 14.233 11.361 -1.935 254 HB ILE 37 HB ILE 37 14.410 8.561 -0.716 255 1HG1 ILE 37 HG12 ILE 37 12.700 10.998 -0.008 256 2HG1 ILE 37 HG13 ILE 37 12.134 9.538 -0.830 257 1HG2 ILE 37 HG21 ILE 37 16.322 9.935 0.121 258 2HG2 ILE 37 HG22 ILE 37 15.171 11.176 0.659 259 3HG2 ILE 37 HG23 ILE 37 15.173 9.551 1.381 260 1HD1 ILE 37 HD11 ILE 37 11.408 9.414 1.422 261 2HD1 ILE 37 HD12 ILE 37 12.711 8.229 1.223 262 3HD1 ILE 37 HD13 ILE 37 13.018 9.772 2.059 263 H ASP 38 H ASP 38 16.424 12.022 -1.712 264 HA ASP 38 HA ASP 38 18.506 10.282 -2.948 265 1HB ASP 38 HB2 ASP 38 17.963 11.864 -4.650 266 2HB ASP 38 HB3 ASP 38 18.054 13.215 -3.514 267 H GLY 39 H GLY 39 19.475 9.683 -1.134 268 1HA GLY 39 HA2 GLY 39 19.916 11.395 1.178 269 2HA GLY 39 HA3 GLY 39 20.539 9.763 0.873 270 H GLY 40 H GLY 40 21.453 11.025 -1.927 271 1HA GLY 40 HA2 GLY 40 23.467 11.678 -2.770 272 2HA GLY 40 HA3 GLY 40 23.378 12.971 -1.564 273 H SER 41 H SER 41 25.396 13.062 -0.754 274 HA SER 41 HA SER 41 26.976 10.650 -0.298 275 1HB SER 41 HB2 SER 41 27.701 12.769 -1.458 276 2HB SER 41 HB3 SER 41 27.678 13.584 0.117 277 HG SER 41 HG SER 41 29.238 11.994 0.797 278 H ALA 42 H ALA 42 24.552 11.834 1.552 279 HA ALA 42 HA ALA 42 25.791 11.001 4.080 280 1HB ALA 42 HB1 ALA 42 25.055 13.043 5.268 281 2HB ALA 42 HB2 ALA 42 26.263 13.428 4.029 282 3HB ALA 42 HB3 ALA 42 24.544 13.768 3.728 283 HA PRO 43 HA PRO 43 21.367 9.983 2.923 284 1HB PRO 43 HB2 PRO 43 21.381 7.272 2.894 285 2HB PRO 43 HB3 PRO 43 22.095 8.222 1.561 286 1HG PRO 43 HG2 PRO 43 23.574 7.083 3.971 287 2HG PRO 43 HG3 PRO 43 23.947 6.815 2.247 288 1HD PRO 43 HD2 PRO 43 25.207 8.765 3.622 289 2HD PRO 43 HD3 PRO 43 24.650 9.072 1.948 290 H GLU 44 H GLU 44 23.343 9.034 5.665 291 HA GLU 44 HA GLU 44 21.403 7.865 7.305 292 1HB GLU 44 HB2 GLU 44 22.841 8.518 9.177 293 2HB GLU 44 HB3 GLU 44 23.687 7.762 7.840 294 1HG GLU 44 HG2 GLU 44 25.136 9.426 8.561 295 2HG GLU 44 HG3 GLU 44 24.448 10.039 7.070 296 H ASN 45 H ASN 45 21.901 11.262 6.536 297 HA ASN 45 HA ASN 45 20.254 12.401 8.517 298 1HB ASN 45 HB2 ASN 45 20.554 14.351 7.418 299 2HB ASN 45 HB3 ASN 45 21.779 13.451 6.535 300 1HD2 ASN 45 HD22 ASN 45 21.208 12.674 4.320 301 2HD2 ASN 45 HD21 ASN 45 19.716 13.201 3.533 302 H ASP 46 H ASP 46 19.383 10.617 5.628 303 HA ASP 46 HA ASP 46 16.637 11.722 5.585 304 1HB ASP 46 HB2 ASP 46 18.393 10.312 3.601 305 2HB ASP 46 HB3 ASP 46 16.663 10.056 3.469 306 H ILE 47 H ILE 47 18.185 9.118 7.086 307 HA ILE 47 HA ILE 47 16.283 7.025 6.905 308 HB ILE 47 HB ILE 47 18.054 7.970 9.193 309 1HG1 ILE 47 HG12 ILE 47 18.354 5.638 7.237 310 2HG1 ILE 47 HG13 ILE 47 19.167 7.188 7.063 311 1HG2 ILE 47 HG21 ILE 47 17.720 5.825 10.302 312 2HG2 ILE 47 HG22 ILE 47 16.169 6.618 10.114 313 3HG2 ILE 47 HG23 ILE 47 16.615 5.290 9.020 314 1HD1 ILE 47 HD11 ILE 47 19.619 5.158 9.275 315 2HD1 ILE 47 HD12 ILE 47 20.746 5.674 8.016 316 3HD1 ILE 47 HD13 ILE 47 20.281 6.814 9.290 317 H VAL 48 H VAL 48 16.291 9.990 8.945 318 HA VAL 48 HA VAL 48 13.913 9.400 10.373 319 HB VAL 48 HB VAL 48 15.068 12.117 9.600 320 1HG1 VAL 48 HG11 VAL 48 13.230 11.322 11.906 321 2HG1 VAL 48 HG12 VAL 48 13.959 12.926 11.666 322 3HG1 VAL 48 HG13 VAL 48 12.780 12.316 10.503 323 1HG2 VAL 48 HG21 VAL 48 16.178 12.032 11.837 324 2HG2 VAL 48 HG22 VAL 48 15.646 10.348 12.021 325 3HG2 VAL 48 HG23 VAL 48 16.797 10.799 10.744 326 H ALA 49 H ALA 49 14.424 10.943 7.166 327 HA ALA 49 HA ALA 49 11.721 11.841 6.889 328 1HB ALA 49 HB1 ALA 49 13.832 11.317 4.752 329 2HB ALA 49 HB2 ALA 49 12.334 12.239 4.541 330 3HB ALA 49 HB3 ALA 49 13.597 12.851 5.628 331 H ILE 50 H ILE 50 13.527 9.038 5.610 332 HA ILE 50 HA ILE 50 11.432 7.699 4.296 333 HB ILE 50 HB ILE 50 13.822 6.584 5.829 334 1HG1 ILE 50 HG12 ILE 50 13.587 6.901 2.811 335 2HG1 ILE 50 HG13 ILE 50 14.200 8.214 3.797 336 1HG2 ILE 50 HG21 ILE 50 13.561 4.548 4.442 337 2HG2 ILE 50 HG22 ILE 50 12.126 4.812 5.423 338 3HG2 ILE 50 HG23 ILE 50 12.106 5.236 3.697 339 1HD1 ILE 50 HD11 ILE 50 15.427 5.451 3.525 340 2HD1 ILE 50 HD12 ILE 50 16.070 7.009 2.972 341 3HD1 ILE 50 HD13 ILE 50 15.966 6.674 4.702 342 H ARG 51 H ARG 51 12.381 7.578 7.792 343 HA ARG 51 HA ARG 51 10.507 5.581 8.516 344 1HB ARG 51 HB2 ARG 51 11.888 7.774 10.097 345 2HB ARG 51 HB3 ARG 51 10.729 6.684 10.857 346 1HG ARG 51 HG2 ARG 51 12.043 4.732 10.311 347 2HG ARG 51 HG3 ARG 51 13.180 5.689 9.349 348 1HD ARG 51 HD2 ARG 51 13.866 6.949 11.341 349 2HD ARG 51 HD3 ARG 51 12.665 6.084 12.323 350 HE ARG 51 HE ARG 51 14.400 4.196 11.070 351 1HH1 ARG 51 HH21 ARG 51 14.447 6.621 13.674 352 2HH1 ARG 51 HH22 ARG 51 15.638 5.794 14.604 353 1HH2 ARG 51 HH11 ARG 51 15.938 3.107 12.286 354 2HH2 ARG 51 HH12 ARG 51 16.508 3.728 13.810 355 H GLU 52 H GLU 52 9.937 9.104 8.081 356 HA GLU 52 HA GLU 52 7.440 9.188 9.430 357 1HB GLU 52 HB2 GLU 52 8.236 10.711 6.907 358 2HB GLU 52 HB3 GLU 52 6.868 11.074 7.956 359 1HG GLU 52 HG2 GLU 52 8.519 11.395 9.859 360 2HG GLU 52 HG3 GLU 52 9.805 11.288 8.651 361 H LEU 53 H LEU 53 8.331 7.831 6.297 362 HA LEU 53 HA LEU 53 5.602 7.718 5.315 363 1HB LEU 53 HB2 LEU 53 8.168 6.576 4.148 364 2HB LEU 53 HB3 LEU 53 6.645 6.786 3.307 365 HG LEU 53 HG LEU 53 8.493 8.989 4.307 366 1HD1 LEU 53 HD11 LEU 53 9.282 7.837 2.302 367 2HD1 LEU 53 HD12 LEU 53 7.721 8.118 1.495 368 3HD1 LEU 53 HD13 LEU 53 8.777 9.486 1.919 369 1HD2 LEU 53 HD21 LEU 53 6.968 10.574 3.146 370 2HD2 LEU 53 HD22 LEU 53 5.799 9.253 2.904 371 3HD2 LEU 53 HD23 LEU 53 6.214 9.814 4.544 372 H ARG 54 H ARG 54 7.402 5.784 7.392 373 HA ARG 54 HA ARG 54 7.814 3.537 7.645 374 1HB ARG 54 HB2 ARG 54 4.809 3.748 8.031 375 2HB ARG 54 HB3 ARG 54 5.813 2.386 8.549 376 1HG ARG 54 HG2 ARG 54 7.204 4.012 9.922 377 2HG ARG 54 HG3 ARG 54 6.017 5.263 9.517 378 1HD ARG 54 HD2 ARG 54 5.468 4.390 11.683 379 2HD ARG 54 HD3 ARG 54 4.228 3.856 10.534 380 HE ARG 54 HE ARG 54 6.409 1.937 10.872 381 1HH1 ARG 54 HH21 ARG 54 3.314 3.032 12.265 382 2HH1 ARG 54 HH22 ARG 54 2.976 1.536 13.052 383 1HH2 ARG 54 HH11 ARG 54 5.989 -0.023 11.955 384 2HH2 ARG 54 HH12 ARG 54 4.523 -0.252 12.860 385 HA PRO 55 HA PRO 55 6.649 2.695 3.231 386 1HB PRO 55 HB2 PRO 55 9.435 1.571 3.157 387 2HB PRO 55 HB3 PRO 55 8.563 2.544 1.932 388 1HG PRO 55 HG2 PRO 55 10.407 3.704 3.537 389 2HG PRO 55 HG3 PRO 55 8.860 4.537 3.171 390 1HD PRO 55 HD2 PRO 55 9.603 3.046 5.676 391 2HD PRO 55 HD3 PRO 55 8.759 4.585 5.470 392 H THR 56 H THR 56 5.832 0.886 2.296 393 HA THR 56 HA THR 56 5.918 -1.669 3.683 394 HB THR 56 HB THR 56 4.874 -1.043 0.894 395 HG1 THR 56 HG1 THR 56 3.645 -0.583 3.411 396 1HG2 THR 56 HG21 THR 56 3.176 -2.746 1.432 397 2HG2 THR 56 HG22 THR 56 4.811 -3.421 1.522 398 3HG2 THR 56 HG23 THR 56 3.938 -3.021 3.017 399 H ARG 57 H ARG 57 7.599 -0.013 1.021 400 HA ARG 57 HA ARG 57 9.581 -2.187 0.974 401 1HB ARG 57 HB2 ARG 57 7.965 -2.766 -0.785 402 2HB ARG 57 HB3 ARG 57 8.145 -1.162 -1.498 403 1HG ARG 57 HG2 ARG 57 10.559 -1.705 -1.999 404 2HG ARG 57 HG3 ARG 57 10.312 -3.296 -1.256 405 1HD ARG 57 HD2 ARG 57 10.170 -3.505 -3.664 406 2HD ARG 57 HD3 ARG 57 8.548 -3.746 -2.990 407 HE ARG 57 HE ARG 57 8.956 -0.967 -3.666 408 1HH1 ARG 57 HH21 ARG 57 8.303 -4.096 -5.201 409 2HH1 ARG 57 HH22 ARG 57 7.529 -3.414 -6.588 410 1HH2 ARG 57 HH11 ARG 57 8.021 -0.048 -5.519 411 2HH2 ARG 57 HH12 ARG 57 7.407 -1.057 -6.793 412 H LEU 58 H LEU 58 11.628 -1.498 0.268 413 HA LEU 58 HA LEU 58 12.029 1.320 -0.551 414 1HB LEU 58 HB2 LEU 58 12.357 1.363 1.847 415 2HB LEU 58 HB3 LEU 58 13.316 -0.121 1.795 416 HG LEU 58 HG LEU 58 15.123 1.054 0.600 417 1HD1 LEU 58 HD11 LEU 58 13.452 3.562 1.050 418 2HD1 LEU 58 HD12 LEU 58 15.121 3.506 0.460 419 3HD1 LEU 58 HD13 LEU 58 13.829 2.847 -0.538 420 1HD2 LEU 58 HD21 LEU 58 14.255 2.477 3.146 421 2HD2 LEU 58 HD22 LEU 58 15.119 0.928 3.082 422 3HD2 LEU 58 HD23 LEU 58 15.905 2.400 2.494 423 H LEU 59 H LEU 59 13.607 1.424 -2.146 424 HA LEU 59 HA LEU 59 15.459 -0.882 -2.529 425 1HB LEU 59 HB2 LEU 59 13.888 -1.189 -4.305 426 2HB LEU 59 HB3 LEU 59 13.776 0.558 -4.592 427 HG LEU 59 HG LEU 59 16.117 0.573 -5.447 428 1HD1 LEU 59 HD11 LEU 59 17.241 -1.529 -6.019 429 2HD1 LEU 59 HD12 LEU 59 17.005 -1.453 -4.276 430 3HD1 LEU 59 HD13 LEU 59 15.935 -2.468 -5.271 431 1HD2 LEU 59 HD21 LEU 59 15.610 -0.501 -7.587 432 2HD2 LEU 59 HD22 LEU 59 14.268 -1.400 -6.842 433 3HD2 LEU 59 HD23 LEU 59 14.198 0.367 -6.969 434 H ILE 60 H ILE 60 17.518 -0.182 -2.554 435 HA ILE 60 HA ILE 60 17.994 2.746 -2.543 436 HB ILE 60 HB ILE 60 19.574 0.535 -1.212 437 1HG1 ILE 60 HG12 ILE 60 17.573 2.316 0.241 438 2HG1 ILE 60 HG13 ILE 60 17.204 0.676 -0.274 439 1HG2 ILE 60 HG21 ILE 60 20.533 2.421 0.139 440 2HG2 ILE 60 HG22 ILE 60 20.818 2.653 -1.579 441 3HG2 ILE 60 HG23 ILE 60 19.532 3.559 -0.771 442 1HD1 ILE 60 HD11 ILE 60 17.813 0.616 2.021 443 2HD1 ILE 60 HD12 ILE 60 19.022 -0.237 1.040 444 3HD1 ILE 60 HD13 ILE 60 19.374 1.385 1.702 445 H VAL 61 H VAL 61 19.848 3.523 -3.750 446 HA VAL 61 HA VAL 61 21.209 1.538 -5.493 447 HB VAL 61 HB VAL 61 19.807 4.045 -6.495 448 1HG1 VAL 61 HG11 VAL 61 20.402 3.065 -8.763 449 2HG1 VAL 61 HG12 VAL 61 21.780 3.628 -7.829 450 3HG1 VAL 61 HG13 VAL 61 21.428 1.891 -7.915 451 1HG2 VAL 61 HG21 VAL 61 19.036 1.128 -6.874 452 2HG2 VAL 61 HG22 VAL 61 18.096 2.376 -6.035 453 3HG2 VAL 61 HG23 VAL 61 18.335 2.487 -7.777 454 H ASP 62 H ASP 62 23.314 1.980 -5.846 455 HA ASP 62 HA ASP 62 24.471 4.608 -5.926 456 1HB ASP 62 HB2 ASP 62 24.336 4.032 -3.429 457 2HB ASP 62 HB3 ASP 62 25.481 2.743 -3.766 458 H ALA 63 H ALA 63 27.053 4.050 -6.182 459 HA ALA 63 HA ALA 63 27.367 1.813 -8.090 460 1HB ALA 63 HB1 ALA 63 29.386 3.810 -6.976 461 2HB ALA 63 HB2 ALA 63 29.672 2.651 -8.289 462 3HB ALA 63 HB3 ALA 63 28.521 3.976 -8.527 463 H THR 64 H THR 64 29.096 0.158 -7.612 464 HA THR 64 HA THR 64 30.002 -0.123 -4.852 465 HB THR 64 HB THR 64 28.398 -2.438 -6.006 466 HG1 THR 64 HG1 THR 64 27.412 -0.211 -4.627 467 1HG2 THR 64 HG21 THR 64 29.154 -1.557 -3.192 468 2HG2 THR 64 HG22 THR 64 28.204 -3.007 -3.588 469 3HG2 THR 64 HG23 THR 64 29.893 -2.888 -4.113 470 H ASP 65 H ASP 65 32.101 -0.968 -5.054 471 HA ASP 65 HA ASP 65 32.941 -2.107 -7.625 472 1HB ASP 65 HB2 ASP 65 34.594 -0.871 -6.339 473 2HB ASP 65 HB3 ASP 65 34.390 -1.981 -4.968 474 H MET 66 H MET 66 32.540 -4.105 -8.208 475 HA MET 66 HA MET 66 31.928 -6.193 -6.171 476 1HB MET 66 HB2 MET 66 30.746 -5.578 -8.924 477 2HB MET 66 HB3 MET 66 30.398 -7.038 -7.997 478 1HG MET 66 HG2 MET 66 29.551 -5.687 -6.123 479 2HG MET 66 HG3 MET 66 29.881 -4.210 -6.997 480 1HE MET 66 HE1 MET 66 27.268 -3.984 -9.753 481 2HE MET 66 HE2 MET 66 28.418 -3.113 -8.706 482 3HE MET 66 HE3 MET 66 29.006 -4.379 -9.797 483 H GLY 67 H GLY 67 34.355 -5.251 -8.249 484 1HA GLY 67 HA2 GLY 67 36.074 -6.347 -9.271 485 2HA GLY 67 HA3 GLY 67 35.568 -7.850 -8.476 486 H LEU 68 H LEU 68 33.384 -5.971 -10.534 487 HA LEU 68 HA LEU 68 33.311 -8.185 -12.541 488 1HB LEU 68 HB2 LEU 68 31.197 -6.095 -11.891 489 2HB LEU 68 HB3 LEU 68 31.037 -7.431 -13.036 490 HG LEU 68 HG LEU 68 31.351 -7.777 -10.059 491 1HD1 LEU 68 HD11 LEU 68 28.902 -7.976 -11.848 492 2HD1 LEU 68 HD12 LEU 68 28.957 -8.420 -10.129 493 3HD1 LEU 68 HD13 LEU 68 29.205 -6.736 -10.617 494 1HD2 LEU 68 HD21 LEU 68 30.723 -9.806 -12.243 495 2HD2 LEU 68 HD22 LEU 68 32.208 -9.733 -11.262 496 3HD2 LEU 68 HD23 LEU 68 30.666 -10.114 -10.494 497 H ASN 69 H ASN 69 32.066 -6.839 -14.548 498 HA ASN 69 HA ASN 69 34.260 -5.218 -15.695 499 1HB ASN 69 HB2 ASN 69 33.166 -7.024 -17.028 500 2HB ASN 69 HB3 ASN 69 31.620 -6.179 -16.890 501 1HD2 ASN 69 HD22 ASN 69 34.982 -5.837 -18.168 502 2HD2 ASN 69 HD21 ASN 69 34.551 -4.710 -19.424 503 HA PRO 70 HA PRO 70 32.372 -1.307 -14.505 504 1HB PRO 70 HB2 PRO 70 33.113 -0.555 -17.346 505 2HB PRO 70 HB3 PRO 70 33.199 0.442 -15.861 506 1HG PRO 70 HG2 PRO 70 35.423 -0.798 -16.746 507 2HG PRO 70 HG3 PRO 70 35.014 -0.900 -15.002 508 1HD PRO 70 HD2 PRO 70 34.563 -2.972 -17.156 509 2HD PRO 70 HD3 PRO 70 35.136 -3.195 -15.474 510 H GLY 71 H GLY 71 30.299 -0.629 -14.435 511 1HA GLY 71 HA2 GLY 71 28.202 -0.056 -15.170 512 2HA GLY 71 HA3 GLY 71 28.608 -0.558 -16.815 513 H GLU 72 H GLU 72 29.398 -3.191 -14.753 514 HA GLU 72 HA GLU 72 27.025 -4.721 -15.340 515 1HB GLU 72 HB2 GLU 72 29.447 -5.024 -13.531 516 2HB GLU 72 HB3 GLU 72 28.072 -6.079 -13.292 517 1HG GLU 72 HG2 GLU 72 29.149 -5.791 -16.101 518 2HG GLU 72 HG3 GLU 72 30.040 -6.764 -14.938 519 H ILE 73 H ILE 73 25.318 -5.170 -13.951 520 HA ILE 73 HA ILE 73 24.904 -3.317 -11.659 521 HB ILE 73 HB ILE 73 22.900 -4.251 -13.763 522 1HG1 ILE 73 HG12 ILE 73 23.809 -1.374 -13.422 523 2HG1 ILE 73 HG13 ILE 73 24.632 -2.456 -14.528 524 1HG2 ILE 73 HG21 ILE 73 21.439 -2.502 -12.621 525 2HG2 ILE 73 HG22 ILE 73 21.814 -3.891 -11.617 526 3HG2 ILE 73 HG23 ILE 73 22.702 -2.370 -11.381 527 1HD1 ILE 73 HD11 ILE 73 22.984 -1.118 -15.713 528 2HD1 ILE 73 HD12 ILE 73 22.608 -2.844 -15.810 529 3HD1 ILE 73 HD13 ILE 73 21.681 -1.787 -14.723 530 H ARG 74 H ARG 74 23.989 -4.324 -9.816 531 HA ARG 74 HA ARG 74 23.003 -7.107 -10.074 532 1HB ARG 74 HB2 ARG 74 25.313 -6.240 -8.283 533 2HB ARG 74 HB3 ARG 74 24.439 -7.753 -8.097 534 1HG ARG 74 HG2 ARG 74 26.050 -7.001 -10.555 535 2HG ARG 74 HG3 ARG 74 26.608 -8.023 -9.228 536 1HD ARG 74 HD2 ARG 74 24.767 -9.625 -9.660 537 2HD ARG 74 HD3 ARG 74 24.225 -8.649 -11.030 538 HE ARG 74 HE ARG 74 26.617 -10.363 -10.841 539 1HH1 ARG 74 HH21 ARG 74 25.051 -7.792 -12.789 540 2HH1 ARG 74 HH22 ARG 74 26.100 -8.073 -14.158 541 1HH2 ARG 74 HH11 ARG 74 27.899 -10.662 -12.485 542 2HH2 ARG 74 HH12 ARG 74 27.833 -9.692 -13.974 543 H ILE 75 H ILE 75 21.654 -7.746 -8.402 544 HA ILE 75 HA ILE 75 20.752 -5.713 -6.442 545 HB ILE 75 HB ILE 75 20.097 -8.680 -6.774 546 1HG1 ILE 75 HG12 ILE 75 19.248 -7.534 -8.679 547 2HG1 ILE 75 HG13 ILE 75 17.906 -7.894 -7.612 548 1HG2 ILE 75 HG21 ILE 75 18.137 -8.218 -5.304 549 2HG2 ILE 75 HG22 ILE 75 19.681 -8.089 -4.469 550 3HG2 ILE 75 HG23 ILE 75 18.818 -6.614 -4.944 551 1HD1 ILE 75 HD11 ILE 75 17.636 -5.686 -8.554 552 2HD1 ILE 75 HD12 ILE 75 17.890 -5.553 -6.802 553 3HD1 ILE 75 HD13 ILE 75 19.218 -5.182 -7.938 554 H ILE 76 H ILE 76 21.290 -5.796 -4.202 555 HA ILE 76 HA ILE 76 23.226 -7.832 -3.318 556 HB ILE 76 HB ILE 76 23.801 -5.023 -2.452 557 1HG1 ILE 76 HG12 ILE 76 24.870 -6.125 -5.090 558 2HG1 ILE 76 HG13 ILE 76 23.757 -4.761 -4.919 559 1HG2 ILE 76 HG21 ILE 76 26.093 -5.970 -2.168 560 2HG2 ILE 76 HG22 ILE 76 24.949 -7.094 -1.472 561 3HG2 ILE 76 HG23 ILE 76 25.606 -7.423 -3.066 562 1HD1 ILE 76 HD11 ILE 76 26.622 -4.787 -3.916 563 2HD1 ILE 76 HD12 ILE 76 25.993 -3.963 -5.332 564 3HD1 ILE 76 HD13 ILE 76 25.441 -3.460 -3.718 565 H ASP 77 H ASP 77 23.389 -7.717 -0.848 566 HA ASP 77 HA ASP 77 20.755 -7.134 0.401 567 1HB ASP 77 HB2 ASP 77 20.734 -9.440 -0.441 568 2HB ASP 77 HB3 ASP 77 22.320 -9.755 0.256 569 HA PRO 78 HA PRO 78 23.351 -5.418 3.493 570 1HB PRO 78 HB2 PRO 78 22.134 -6.254 5.898 571 2HB PRO 78 HB3 PRO 78 21.732 -4.819 4.914 572 1HG PRO 78 HG2 PRO 78 20.469 -7.568 4.840 573 2HG PRO 78 HG3 PRO 78 19.651 -5.976 4.816 574 1HD PRO 78 HD2 PRO 78 19.977 -7.309 2.530 575 2HD PRO 78 HD3 PRO 78 20.365 -5.572 2.551 576 H ASP 79 H ASP 79 22.863 -8.924 3.721 577 HA ASP 79 HA ASP 79 24.925 -9.430 5.669 578 1HB ASP 79 HB2 ASP 79 23.134 -11.034 5.116 579 2HB ASP 79 HB3 ASP 79 23.779 -11.199 3.478 580 H ASP 80 H ASP 80 25.035 -8.658 2.258 581 HA ASP 80 HA ASP 80 27.886 -9.555 2.055 582 1HB ASP 80 HB2 ASP 80 26.310 -10.815 0.630 583 2HB ASP 80 HB3 ASP 80 25.763 -9.309 -0.104 584 H ILE 81 H ILE 81 25.620 -6.905 1.500 585 HA ILE 81 HA ILE 81 27.233 -4.951 0.277 586 HB ILE 81 HB ILE 81 25.084 -4.887 2.403 587 1HG1 ILE 81 HG12 ILE 81 25.105 -3.916 -0.491 588 2HG1 ILE 81 HG13 ILE 81 24.573 -5.507 0.035 589 1HG2 ILE 81 HG21 ILE 81 26.195 -2.340 1.179 590 2HG2 ILE 81 HG22 ILE 81 24.817 -2.480 2.272 591 3HG2 ILE 81 HG23 ILE 81 26.438 -2.847 2.853 592 1HD1 ILE 81 HD11 ILE 81 22.586 -4.349 -0.180 593 2HD1 ILE 81 HD12 ILE 81 22.882 -4.299 1.554 594 3HD1 ILE 81 HD13 ILE 81 23.234 -2.865 0.558 595 H ALA 82 H ALA 82 27.177 -6.052 3.643 596 HA ALA 82 HA ALA 82 28.670 -4.015 4.794 597 1HB ALA 82 HB1 ALA 82 29.103 -5.673 6.604 598 2HB ALA 82 HB2 ALA 82 27.426 -5.804 6.027 599 3HB ALA 82 HB3 ALA 82 28.649 -6.988 5.496 600 H GLU 83 H GLU 83 29.881 -6.601 2.757 601 HA GLU 83 HA GLU 83 32.691 -5.775 3.404 602 1HB GLU 83 HB2 GLU 83 31.623 -8.267 2.015 603 2HB GLU 83 HB3 GLU 83 33.330 -7.812 2.113 604 1HG GLU 83 HG2 GLU 83 33.173 -7.840 4.612 605 2HG GLU 83 HG3 GLU 83 31.505 -8.400 4.485 606 H MET 84 H MET 84 30.297 -6.298 0.811 607 HA MET 84 HA MET 84 32.126 -5.681 -1.278 608 1HB MET 84 HB2 MET 84 29.078 -5.811 -1.223 609 2HB MET 84 HB3 MET 84 29.983 -5.400 -2.680 610 1HG MET 84 HG2 MET 84 30.462 -7.931 -1.059 611 2HG MET 84 HG3 MET 84 29.451 -7.819 -2.483 612 1HE MET 84 HE1 MET 84 33.178 -7.636 -1.135 613 2HE MET 84 HE2 MET 84 32.530 -9.268 -1.416 614 3HE MET 84 HE3 MET 84 33.865 -8.656 -2.415 615 H PHE 85 H PHE 85 30.036 -3.500 0.585 616 HA PHE 85 HA PHE 85 30.350 -1.355 -1.285 617 1HB PHE 85 HB2 PHE 85 29.080 -1.688 1.340 618 2HB PHE 85 HB3 PHE 85 29.919 -0.154 1.191 619 HD1 PHE 85 HD1 PHE 85 29.116 1.575 -0.199 620 HD2 PHE 85 HD2 PHE 85 27.519 -2.407 -0.581 621 HE1 PHE 85 HE1 PHE 85 27.593 2.366 -2.001 622 HE2 PHE 85 HE2 PHE 85 25.950 -1.597 -2.344 623 HZ PHE 85 HZ PHE 85 26.064 0.760 -3.096 624 H MET 86 H MET 86 32.551 -2.545 1.133 625 HA MET 86 HA MET 86 34.365 -0.322 0.373 626 1HB MET 86 HB2 MET 86 35.342 -0.329 2.532 627 2HB MET 86 HB3 MET 86 33.603 -0.038 2.616 628 1HG MET 86 HG2 MET 86 33.212 -2.368 3.341 629 2HG MET 86 HG3 MET 86 34.948 -2.694 3.256 630 1HE MET 86 HE1 MET 86 34.843 -3.659 5.710 631 2HE MET 86 HE2 MET 86 34.225 -2.757 7.112 632 3HE MET 86 HE3 MET 86 33.109 -3.279 5.833 633 H MET 87 H MET 87 33.865 -2.869 -0.978 634 HA MET 87 HA MET 87 36.204 -4.516 -0.786 635 1HB MET 87 HB2 MET 87 34.119 -5.075 -2.037 636 2HB MET 87 HB3 MET 87 34.453 -3.761 -3.171 637 1HG MET 87 HG2 MET 87 35.071 -5.853 -4.162 638 2HG MET 87 HG3 MET 87 36.532 -4.916 -3.868 639 1HE MET 87 HE1 MET 87 37.917 -7.138 -4.370 640 2HE MET 87 HE2 MET 87 37.666 -8.676 -3.514 641 3HE MET 87 HE3 MET 87 36.404 -8.046 -4.595 642 H THR 88 H THR 88 35.481 -1.358 -2.152 643 HA THR 88 HA THR 88 38.292 -0.923 -2.998 644 HB THR 88 HB THR 88 36.655 -0.539 -4.772 645 HG1 THR 88 HG1 THR 88 38.256 0.872 -4.928 646 1HG2 THR 88 HG21 THR 88 35.288 1.391 -2.853 647 2HG2 THR 88 HG22 THR 88 34.979 1.298 -4.601 648 3HG2 THR 88 HG23 THR 88 34.600 -0.079 -3.561 649 H THR 89 H THR 89 39.120 1.266 -2.274 650 HA THR 89 HA THR 89 38.791 1.546 0.574 651 HB THR 89 HB THR 89 40.642 3.327 0.018 652 HG1 THR 89 HG1 THR 89 40.370 3.580 -2.154 653 1HG2 THR 89 HG21 THR 89 41.071 0.386 -0.684 654 2HG2 THR 89 HG22 THR 89 42.335 1.560 -0.252 655 3HG2 THR 89 HG23 THR 89 41.121 1.090 0.946 656 H HIS 90 H HIS 90 36.321 2.250 -0.599 657 HA HIS 90 HA HIS 90 36.103 5.183 -0.204 658 1HB HIS 90 HB2 HIS 90 35.228 3.658 -2.680 659 2HB HIS 90 HB3 HIS 90 34.970 5.377 -2.392 660 HD1 HIS 90 HD1 HIS 90 37.405 3.097 -4.045 661 HD2 HIS 90 HD2 HIS 90 37.438 6.864 -2.148 662 HE1 HIS 90 HE1 HIS 90 39.498 4.291 -4.848 663 H ASN 91 H ASN 91 33.691 5.765 -0.597 664 HA ASN 91 HA ASN 91 31.613 5.755 0.221 665 1HB ASN 91 HB2 ASN 91 31.635 3.916 -1.699 666 2HB ASN 91 HB3 ASN 91 31.251 2.830 -0.371 667 1HD2 ASN 91 HD22 ASN 91 29.921 5.070 -2.680 668 2HD2 ASN 91 HD21 ASN 91 28.293 4.967 -2.048 669 H MET 92 H MET 92 30.146 3.569 1.603 670 HA MET 92 HA MET 92 31.763 3.028 4.021 671 1HB MET 92 HB2 MET 92 29.054 4.453 3.964 672 2HB MET 92 HB3 MET 92 29.780 3.753 5.413 673 1HG MET 92 HG2 MET 92 31.734 5.270 5.157 674 2HG MET 92 HG3 MET 92 30.944 6.022 3.763 675 1HE MET 92 HE1 MET 92 31.253 8.402 4.834 676 2HE MET 92 HE2 MET 92 30.735 8.824 6.482 677 3HE MET 92 HE3 MET 92 32.056 7.660 6.237 678 HA PRO 93 HA PRO 93 29.533 -0.810 3.466 679 1HB PRO 93 HB2 PRO 93 29.616 -1.968 5.931 680 2HB PRO 93 HB3 PRO 93 31.071 -1.699 4.930 681 1HG PRO 93 HG2 PRO 93 30.017 0.069 7.162 682 2HG PRO 93 HG3 PRO 93 31.681 -0.566 6.948 683 1HD PRO 93 HD2 PRO 93 30.986 1.929 6.122 684 2HD PRO 93 HD3 PRO 93 32.121 0.927 5.173 685 H LEU 94 H LEU 94 27.715 0.644 2.981 686 HA LEU 94 HA LEU 94 25.903 1.764 4.581 687 1HB LEU 94 HB2 LEU 94 25.973 0.862 1.756 688 2HB LEU 94 HB3 LEU 94 24.354 1.211 2.361 689 HG LEU 94 HG LEU 94 26.683 3.144 2.690 690 1HD1 LEU 94 HD11 LEU 94 25.863 4.348 0.751 691 2HD1 LEU 94 HD12 LEU 94 26.262 2.700 0.292 692 3HD1 LEU 94 HD13 LEU 94 24.559 3.156 0.501 693 1HD2 LEU 94 HD21 LEU 94 23.662 3.617 2.791 694 2HD2 LEU 94 HD22 LEU 94 24.716 3.529 4.212 695 3HD2 LEU 94 HD23 LEU 94 24.940 4.829 3.043 696 H ASN 95 H ASN 95 26.056 -1.564 4.667 697 HA ASN 95 HA ASN 95 23.354 -2.272 5.180 698 1HB ASN 95 HB2 ASN 95 24.118 -4.214 6.052 699 2HB ASN 95 HB3 ASN 95 25.545 -3.782 5.127 700 1HD2 ASN 95 HD21 ASN 95 27.144 -2.184 6.706 701 2HD2 ASN 95 HD22 ASN 95 27.379 -2.930 8.257 702 H TYR 96 H TYR 96 25.625 -0.303 7.067 703 HA TYR 96 HA TYR 96 24.317 -0.417 9.565 704 1HB TYR 96 HB2 TYR 96 25.580 1.446 10.169 705 2HB TYR 96 HB3 TYR 96 26.587 0.624 8.995 706 HD1 TYR 96 HD1 TYR 96 27.173 1.740 6.873 707 HD2 TYR 96 HD2 TYR 96 24.437 3.581 9.642 708 HE1 TYR 96 HE1 TYR 96 27.237 3.823 5.541 709 HE2 TYR 96 HE2 TYR 96 24.498 5.670 8.326 710 HH TYR 96 HH TYR 96 26.460 6.020 5.338 711 H LEU 97 H LEU 97 23.489 1.415 6.617 712 HA LEU 97 HA LEU 97 21.457 3.050 7.948 713 1HB LEU 97 HB2 LEU 97 22.655 3.914 6.044 714 2HB LEU 97 HB3 LEU 97 22.182 2.564 5.021 715 HG LEU 97 HG LEU 97 19.935 4.112 6.274 716 1HD1 LEU 97 HD11 LEU 97 21.609 5.228 3.992 717 2HD1 LEU 97 HD12 LEU 97 20.066 5.898 4.583 718 3HD1 LEU 97 HD13 LEU 97 21.495 5.916 5.625 719 1HD2 LEU 97 HD21 LEU 97 20.408 3.088 3.433 720 2HD2 LEU 97 HD22 LEU 97 19.458 2.254 4.677 721 3HD2 LEU 97 HD23 LEU 97 18.906 3.806 4.052 722 H ILE 98 H ILE 98 21.586 0.139 5.867 723 HA ILE 98 HA ILE 98 18.799 -0.211 5.577 724 HB ILE 98 HB ILE 98 21.042 -2.277 5.618 725 1HG1 ILE 98 HG12 ILE 98 19.702 -0.834 3.288 726 2HG1 ILE 98 HG13 ILE 98 21.293 -0.431 3.925 727 1HG2 ILE 98 HG21 ILE 98 18.183 -2.516 4.587 728 2HG2 ILE 98 HG22 ILE 98 19.463 -3.694 4.253 729 3HG2 ILE 98 HG23 ILE 98 18.922 -3.440 5.903 730 1HD1 ILE 98 HD11 ILE 98 21.720 -1.707 2.017 731 2HD1 ILE 98 HD12 ILE 98 22.026 -2.806 3.368 732 3HD1 ILE 98 HD13 ILE 98 20.520 -2.942 2.423 733 H ASP 99 H ASP 99 21.049 -1.451 8.110 734 HA ASP 99 HA ASP 99 19.161 -2.999 9.489 735 1HB ASP 99 HB2 ASP 99 21.586 -3.137 9.840 736 2HB ASP 99 HB3 ASP 99 21.613 -1.501 10.502 737 H GLN 100 H GLN 100 19.459 0.484 9.420 738 HA GLN 100 HA GLN 100 17.945 0.872 11.926 739 1HB GLN 100 HB2 GLN 100 19.143 2.777 9.875 740 2HB GLN 100 HB3 GLN 100 18.164 3.321 11.236 741 1HG GLN 100 HG2 GLN 100 19.720 2.375 12.847 742 2HG GLN 100 HG3 GLN 100 20.689 1.652 11.566 743 1HE2 GLN 100 HE22 GLN 100 22.152 2.923 10.412 744 2HE2 GLN 100 HE21 GLN 100 22.472 4.615 10.794 745 H LEU 101 H LEU 101 17.040 -0.096 8.881 746 HA LEU 101 HA LEU 101 14.384 1.278 9.051 747 1HB LEU 101 HB2 LEU 101 16.197 0.817 6.647 748 2HB LEU 101 HB3 LEU 101 14.505 1.257 6.507 749 HG LEU 101 HG LEU 101 16.569 2.989 7.932 750 1HD1 LEU 101 HD11 LEU 101 17.099 2.774 5.546 751 2HD1 LEU 101 HD12 LEU 101 15.440 3.237 5.119 752 3HD1 LEU 101 HD13 LEU 101 16.516 4.401 5.923 753 1HD2 LEU 101 HD21 LEU 101 14.812 4.771 7.622 754 2HD2 LEU 101 HD22 LEU 101 13.693 3.525 7.047 755 3HD2 LEU 101 HD23 LEU 101 14.305 3.475 8.712 756 H LYS 102 H LYS 102 16.203 -1.589 7.984 757 HA LYS 102 HA LYS 102 14.084 -3.060 6.924 758 1HB LYS 102 HB2 LYS 102 15.519 -4.912 6.980 759 2HB LYS 102 HB3 LYS 102 16.608 -3.526 6.869 760 1HG LYS 102 HG2 LYS 102 17.016 -3.680 9.331 761 2HG LYS 102 HG3 LYS 102 15.975 -5.115 9.385 762 1HD LYS 102 HD2 LYS 102 17.466 -6.288 7.792 763 2HD LYS 102 HD3 LYS 102 18.504 -4.865 7.714 764 1HE LYS 102 HE2 LYS 102 19.518 -6.475 9.193 765 2HE LYS 102 HE3 LYS 102 19.017 -5.067 10.129 766 1HZ LYS 102 HZ1 LYS 102 18.473 -7.164 11.212 767 2HZ LYS 102 HZ2 LYS 102 17.118 -6.302 10.942 768 3HZ LYS 102 HZ3 LYS 102 17.486 -7.600 9.991 769 H GLU 103 H GLU 103 14.682 -2.370 10.281 770 HA GLU 103 HA GLU 103 13.292 -4.594 11.394 771 1HB GLU 103 HB2 GLU 103 13.937 -1.842 12.532 772 2HB GLU 103 HB3 GLU 103 13.346 -3.205 13.481 773 1HG GLU 103 HG2 GLU 103 15.979 -3.115 11.953 774 2HG GLU 103 HG3 GLU 103 15.784 -2.925 13.690 775 H ASP 104 H ASP 104 12.075 -1.803 9.735 776 HA ASP 104 HA ASP 104 9.339 -2.422 10.768 777 1HB ASP 104 HB2 ASP 104 10.217 -0.363 11.866 778 2HB ASP 104 HB3 ASP 104 10.409 0.376 10.271 779 H ILE 105 H ILE 105 11.371 -1.318 8.028 780 HA ILE 105 HA ILE 105 9.134 -1.012 6.251 781 HB ILE 105 HB ILE 105 12.116 -1.365 5.740 782 1HG1 ILE 105 HG12 ILE 105 10.219 1.016 5.806 783 2HG1 ILE 105 HG13 ILE 105 11.570 0.711 6.892 784 1HG2 ILE 105 HG21 ILE 105 10.907 -2.171 3.779 785 2HG2 ILE 105 HG22 ILE 105 9.890 -0.718 3.745 786 3HG2 ILE 105 HG23 ILE 105 11.621 -0.627 3.400 787 1HD1 ILE 105 HD11 ILE 105 13.090 0.900 4.817 788 2HD1 ILE 105 HD12 ILE 105 11.675 1.609 4.010 789 3HD1 ILE 105 HD13 ILE 105 12.341 2.387 5.447 790 H GLY 106 H GLY 106 8.229 -2.455 4.898 791 1HA GLY 106 HA2 GLY 106 8.074 -5.163 5.712 792 2HA GLY 106 HA3 GLY 106 7.401 -4.487 4.224 793 H GLU 107 H GLU 107 9.740 -3.711 2.813 794 HA GLU 107 HA GLU 107 11.573 -6.036 2.763 795 1HB GLU 107 HB2 GLU 107 9.712 -6.559 1.226 796 2HB GLU 107 HB3 GLU 107 9.911 -5.000 0.411 797 1HG GLU 107 HG2 GLU 107 12.082 -5.642 -0.440 798 2HG GLU 107 HG3 GLU 107 12.121 -7.086 0.576 799 H VAL 108 H VAL 108 13.680 -5.342 2.306 800 HA VAL 108 HA VAL 108 14.025 -2.617 1.210 801 HB VAL 108 HB VAL 108 15.741 -3.796 3.425 802 1HG1 VAL 108 HG11 VAL 108 17.031 -2.305 2.014 803 2HG1 VAL 108 HG12 VAL 108 15.711 -1.123 1.948 804 3HG1 VAL 108 HG13 VAL 108 16.596 -1.380 3.458 805 1HG2 VAL 108 HG21 VAL 108 13.678 -1.570 3.591 806 2HG2 VAL 108 HG22 VAL 108 13.556 -3.164 4.369 807 3HG2 VAL 108 HG23 VAL 108 14.813 -2.029 4.874 808 H ILE 109 H ILE 109 15.417 -2.590 -0.481 809 HA ILE 109 HA ILE 109 17.045 -5.013 -1.108 810 HB ILE 109 HB ILE 109 15.463 -3.326 -3.072 811 1HG1 ILE 109 HG12 ILE 109 14.375 -5.997 -3.044 812 2HG1 ILE 109 HG13 ILE 109 14.305 -5.399 -1.410 813 1HG2 ILE 109 HG21 ILE 109 17.340 -4.444 -4.147 814 2HG2 ILE 109 HG22 ILE 109 16.895 -5.996 -3.398 815 3HG2 ILE 109 HG23 ILE 109 15.864 -5.253 -4.641 816 1HD1 ILE 109 HD11 ILE 109 13.074 -3.409 -2.124 817 2HD1 ILE 109 HD12 ILE 109 13.305 -3.837 -3.834 818 3HD1 ILE 109 HD13 ILE 109 12.282 -4.846 -2.786 819 H PHE 110 H PHE 110 18.944 -4.467 -2.427 820 HA PHE 110 HA PHE 110 19.515 -1.578 -2.744 821 1HB PHE 110 HB2 PHE 110 20.747 -2.814 -0.768 822 2HB PHE 110 HB3 PHE 110 21.677 -3.568 -2.062 823 HD1 PHE 110 HD1 PHE 110 22.924 -1.982 -3.729 824 HD2 PHE 110 HD2 PHE 110 21.321 -0.687 0.059 825 HE1 PHE 110 HE1 PHE 110 24.111 0.165 -3.957 826 HE2 PHE 110 HE2 PHE 110 22.685 1.377 -0.077 827 HZ PHE 110 HZ PHE 110 24.017 1.850 -2.116 828 H LEU 111 H LEU 111 20.531 -1.140 -4.734 829 HA LEU 111 HA LEU 111 21.338 -3.435 -6.437 830 1HB LEU 111 HB2 LEU 111 19.244 -2.647 -7.273 831 2HB LEU 111 HB3 LEU 111 19.739 -0.960 -7.190 832 HG LEU 111 HG LEU 111 21.334 -2.874 -8.895 833 1HD1 LEU 111 HD11 LEU 111 19.833 -2.419 -10.801 834 2HD1 LEU 111 HD12 LEU 111 18.994 -3.295 -9.523 835 3HD1 LEU 111 HD13 LEU 111 18.714 -1.551 -9.728 836 1HD2 LEU 111 HD21 LEU 111 21.560 -0.842 -10.351 837 2HD2 LEU 111 HD22 LEU 111 20.617 0.084 -9.179 838 3HD2 LEU 111 HD23 LEU 111 22.218 -0.561 -8.762 839 H GLY 112 H GLY 112 23.359 -3.206 -7.246 840 1HA GLY 112 HA2 GLY 112 24.831 -0.659 -6.728 841 2HA GLY 112 HA3 GLY 112 25.532 -2.253 -6.525 842 H ILE 113 H ILE 113 26.544 -0.235 -8.227 843 HA ILE 113 HA ILE 113 26.361 -1.531 -10.901 844 HB ILE 113 HB ILE 113 26.473 1.444 -10.256 845 1HG1 ILE 113 HG12 ILE 113 24.272 -0.041 -11.753 846 2HG1 ILE 113 HG13 ILE 113 24.181 0.345 -10.033 847 1HG2 ILE 113 HG21 ILE 113 27.854 0.920 -12.231 848 2HG2 ILE 113 HG22 ILE 113 26.501 0.041 -12.966 849 3HG2 ILE 113 HG23 ILE 113 26.423 1.805 -12.712 850 1HD1 ILE 113 HD11 ILE 113 22.981 2.049 -11.135 851 2HD1 ILE 113 HD12 ILE 113 24.514 2.757 -10.596 852 3HD1 ILE 113 HD13 ILE 113 24.278 2.328 -12.312 853 H GLN 114 H GLN 114 28.397 -2.164 -11.546 854 HA GLN 114 HA GLN 114 30.699 -1.834 -9.942 855 1HB GLN 114 HB2 GLN 114 30.379 -3.711 -11.461 856 2HB GLN 114 HB3 GLN 114 30.360 -2.631 -12.850 857 1HG GLN 114 HG2 GLN 114 32.501 -3.745 -12.690 858 2HG GLN 114 HG3 GLN 114 32.732 -2.031 -12.446 859 1HE2 GLN 114 HE22 GLN 114 34.127 -1.560 -10.738 860 2HE2 GLN 114 HE21 GLN 114 34.437 -2.663 -9.380 861 HA PRO 115 HA PRO 115 31.899 2.249 -11.714 862 1HB PRO 115 HB2 PRO 115 33.753 2.965 -9.895 863 2HB PRO 115 HB3 PRO 115 32.008 2.994 -9.487 864 1HG PRO 115 HG2 PRO 115 34.011 0.790 -8.880 865 2HG PRO 115 HG3 PRO 115 32.873 1.595 -7.747 866 1HD PRO 115 HD2 PRO 115 32.270 -0.754 -9.001 867 2HD PRO 115 HD3 PRO 115 31.030 0.479 -8.651 868 H ASP 116 H ASP 116 34.038 3.072 -12.447 869 HA ASP 116 HA ASP 116 36.162 1.005 -12.807 870 1HB ASP 116 HB2 ASP 116 34.982 1.443 -14.938 871 2HB ASP 116 HB3 ASP 116 35.301 3.166 -14.766 872 H ILE 117 H ILE 117 35.243 4.431 -12.214 873 HA ILE 117 HA ILE 117 37.922 4.834 -11.016 874 HB ILE 117 HB ILE 117 38.363 6.830 -12.049 875 1HG1 ILE 117 HG12 ILE 117 36.612 7.875 -13.758 876 2HG1 ILE 117 HG13 ILE 117 35.434 7.076 -12.719 877 1HG2 ILE 117 HG21 ILE 117 37.030 5.341 -14.342 878 2HG2 ILE 117 HG22 ILE 117 38.333 6.532 -14.446 879 3HG2 ILE 117 HG23 ILE 117 38.640 4.973 -13.668 880 1HD1 ILE 117 HD11 ILE 117 37.552 9.135 -11.968 881 2HD1 ILE 117 HD12 ILE 117 35.793 9.368 -12.021 882 3HD1 ILE 117 HD13 ILE 117 36.515 8.349 -10.766 883 H VAL 118 H VAL 118 37.825 5.783 -9.017 884 HA VAL 118 HA VAL 118 35.416 7.276 -8.225 885 HB VAL 118 HB VAL 118 36.561 4.931 -6.645 886 1HG1 VAL 118 HG11 VAL 118 34.758 5.422 -4.999 887 2HG1 VAL 118 HG12 VAL 118 35.921 6.745 -5.112 888 3HG1 VAL 118 HG13 VAL 118 34.339 6.887 -5.905 889 1HG2 VAL 118 HG21 VAL 118 34.262 3.978 -6.810 890 2HG2 VAL 118 HG22 VAL 118 33.804 5.302 -7.904 891 3HG2 VAL 118 HG23 VAL 118 35.046 4.120 -8.381 892 H GLY 119 H GLY 119 36.017 9.043 -7.076 893 1HA GLY 119 HA2 GLY 119 37.967 9.534 -5.264 894 2HA GLY 119 HA3 GLY 119 38.849 9.708 -6.795 895 H PHE 120 H PHE 120 38.188 11.863 -4.879 896 HA PHE 120 HA PHE 120 35.863 13.275 -5.728 897 1HB PHE 120 HB2 PHE 120 38.306 14.180 -4.171 898 2HB PHE 120 HB3 PHE 120 36.860 15.149 -4.413 899 HD1 PHE 120 HD1 PHE 120 38.390 12.687 -2.291 900 HD2 PHE 120 HD2 PHE 120 34.566 14.130 -3.690 901 HE1 PHE 120 HE1 PHE 120 37.269 11.617 -0.353 902 HE2 PHE 120 HE2 PHE 120 33.456 13.052 -1.752 903 HZ PHE 120 HZ PHE 120 34.802 11.796 -0.081 904 H TYR 121 H TYR 121 35.670 15.139 -6.781 905 HA TYR 121 HA TYR 121 35.736 16.524 -8.491 906 1HB TYR 121 HB2 TYR 121 38.747 16.654 -8.148 907 2HB TYR 121 HB3 TYR 121 37.717 17.834 -8.944 908 HD1 TYR 121 HD1 TYR 121 35.900 19.034 -7.533 909 HD2 TYR 121 HD2 TYR 121 39.173 16.815 -5.801 910 HE1 TYR 121 HE1 TYR 121 35.549 20.204 -5.378 911 HE2 TYR 121 HE2 TYR 121 38.832 17.977 -3.645 912 HH TYR 121 HH TYR 121 37.575 19.556 -2.475 913 H TYR 122 H TYR 122 35.571 13.801 -9.117 914 HA TYR 122 HA TYR 122 36.710 13.865 -11.872 915 1HB TYR 122 HB2 TYR 122 36.207 11.395 -10.185 916 2HB TYR 122 HB3 TYR 122 36.705 11.427 -11.867 917 HD1 TYR 122 HD1 TYR 122 38.937 13.616 -11.570 918 HD2 TYR 122 HD2 TYR 122 37.952 9.983 -9.462 919 HE1 TYR 122 HE1 TYR 122 41.315 13.302 -11.001 920 HE2 TYR 122 HE2 TYR 122 40.327 9.619 -8.946 921 HH TYR 122 HH TYR 122 42.504 10.473 -9.119 922 HA PRO 123 HA PRO 123 32.371 13.309 -12.869 923 1HB PRO 123 HB2 PRO 123 32.480 12.836 -15.523 924 2HB PRO 123 HB3 PRO 123 33.056 14.392 -14.845 925 1HG PRO 123 HG2 PRO 123 34.708 11.956 -15.588 926 2HG PRO 123 HG3 PRO 123 34.995 13.666 -16.046 927 1HD PRO 123 HD2 PRO 123 36.211 12.424 -13.897 928 2HD PRO 123 HD3 PRO 123 35.854 14.181 -13.937 929 H MET 124 H MET 124 30.860 11.660 -13.754 930 HA MET 124 HA MET 124 31.577 8.887 -13.183 931 1HB MET 124 HB2 MET 124 29.348 9.875 -12.700 932 2HB MET 124 HB3 MET 124 29.105 10.180 -14.427 933 1HG MET 124 HG2 MET 124 29.291 7.709 -14.833 934 2HG MET 124 HG3 MET 124 29.393 7.458 -13.097 935 1HE MET 124 HE1 MET 124 27.289 9.570 -11.892 936 2HE MET 124 HE2 MET 124 25.868 8.523 -11.840 937 3HE MET 124 HE3 MET 124 27.466 7.864 -11.407 938 H THR 125 H THR 125 31.998 7.344 -14.739 939 HA THR 125 HA THR 125 32.897 8.246 -17.368 940 HB THR 125 HB THR 125 33.661 5.906 -17.565 941 HG1 THR 125 HG1 THR 125 32.582 5.594 -14.949 942 1HG2 THR 125 HG21 THR 125 34.425 7.046 -14.858 943 2HG2 THR 125 HG22 THR 125 35.308 5.828 -15.805 944 3HG2 THR 125 HG23 THR 125 35.161 7.489 -16.417 945 H GLN 126 H GLN 126 32.211 7.122 -19.374 946 HA GLN 126 HA GLN 126 29.491 7.245 -19.812 947 1HB GLN 126 HB2 GLN 126 31.198 7.482 -21.532 948 2HB GLN 126 HB3 GLN 126 31.659 5.789 -21.364 949 1HG GLN 126 HG2 GLN 126 30.323 6.086 -23.344 950 2HG GLN 126 HG3 GLN 126 29.447 5.082 -22.203 951 1HE2 GLN 126 HE22 GLN 126 27.556 6.042 -21.072 952 2HE2 GLN 126 HE21 GLN 126 26.745 7.423 -21.783 953 HA PRO 127 HA PRO 127 28.970 2.555 -19.706 954 1HB PRO 127 HB2 PRO 127 30.466 0.964 -18.000 955 2HB PRO 127 HB3 PRO 127 30.808 1.230 -19.735 956 1HG PRO 127 HG2 PRO 127 32.058 2.588 -17.351 957 2HG PRO 127 HG3 PRO 127 32.853 1.987 -18.834 958 1HD PRO 127 HD2 PRO 127 32.250 4.595 -18.444 959 2HD PRO 127 HD3 PRO 127 32.166 3.863 -20.069 960 H ILE 128 H ILE 128 29.956 4.219 -16.678 961 HA ILE 128 HA ILE 128 27.858 2.849 -15.170 962 HB ILE 128 HB ILE 128 29.799 5.062 -14.483 963 1HG1 ILE 128 HG12 ILE 128 30.600 3.423 -12.834 964 2HG1 ILE 128 HG13 ILE 128 29.396 2.252 -13.331 965 1HG2 ILE 128 HG21 ILE 128 27.634 5.444 -13.227 966 2HG2 ILE 128 HG22 ILE 128 27.763 3.813 -12.571 967 3HG2 ILE 128 HG23 ILE 128 28.989 5.042 -12.187 968 1HD1 ILE 128 HD11 ILE 128 31.773 1.845 -14.104 969 2HD1 ILE 128 HD12 ILE 128 30.550 1.814 -15.382 970 3HD1 ILE 128 HD13 ILE 128 31.593 3.237 -15.160 971 H LYS 129 H LYS 129 28.251 5.988 -16.848 972 HA LYS 129 HA LYS 129 25.698 7.063 -16.134 973 1HB LYS 129 HB2 LYS 129 27.318 7.324 -18.706 974 2HB LYS 129 HB3 LYS 129 25.786 8.157 -18.446 975 1HG LYS 129 HG2 LYS 129 26.686 9.344 -16.514 976 2HG LYS 129 HG3 LYS 129 28.237 8.501 -16.684 977 1HD LYS 129 HD2 LYS 129 28.576 9.499 -18.908 978 2HD LYS 129 HD3 LYS 129 26.992 10.306 -18.803 979 1HE LYS 129 HE2 LYS 129 27.749 11.539 -16.796 980 2HE LYS 129 HE3 LYS 129 29.319 10.729 -16.879 981 1HZ LYS 129 HZ1 LYS 129 29.702 11.814 -19.013 982 2HZ LYS 129 HZ2 LYS 129 28.243 12.555 -18.953 983 3HZ LYS 129 HZ3 LYS 129 29.398 12.934 -17.871 984 H ASP 130 H ASP 130 26.608 4.820 -18.776 985 HA ASP 130 HA ASP 130 23.978 4.516 -19.827 986 1HB ASP 130 HB2 ASP 130 25.966 3.855 -21.079 987 2HB ASP 130 HB3 ASP 130 26.368 2.637 -19.867 988 H ALA 131 H ALA 131 25.740 2.670 -17.323 989 HA ALA 131 HA ALA 131 23.702 0.761 -16.834 990 1HB ALA 131 HB1 ALA 131 25.773 1.913 -14.925 991 2HB ALA 131 HB2 ALA 131 24.805 0.459 -14.634 992 3HB ALA 131 HB3 ALA 131 25.974 0.493 -15.975 993 H VAL 132 H VAL 132 24.281 3.979 -15.233 994 HA VAL 132 HA VAL 132 22.070 3.772 -13.468 995 HB VAL 132 HB VAL 132 23.536 6.181 -14.618 996 1HG1 VAL 132 HG11 VAL 132 22.507 7.403 -12.612 997 2HG1 VAL 132 HG12 VAL 132 21.386 7.052 -13.937 998 3HG1 VAL 132 HG13 VAL 132 21.383 6.048 -12.473 999 1HG2 VAL 132 HG21 VAL 132 24.826 4.640 -13.059 1000 2HG2 VAL 132 HG22 VAL 132 24.622 6.286 -12.457 1001 3HG2 VAL 132 HG23 VAL 132 23.609 4.974 -11.815 1002 H GLU 133 H GLU 133 22.248 5.006 -16.879 1003 HA GLU 133 HA GLU 133 19.499 5.824 -16.853 1004 1HB GLU 133 HB2 GLU 133 21.223 6.687 -18.393 1005 2HB GLU 133 HB3 GLU 133 21.256 5.132 -19.242 1006 1HG GLU 133 HG2 GLU 133 19.010 5.406 -20.026 1007 2HG GLU 133 HG3 GLU 133 18.661 6.671 -18.847 1008 H THR 134 H THR 134 21.063 2.691 -17.490 1009 HA THR 134 HA THR 134 18.689 1.410 -18.537 1010 HB THR 134 HB THR 134 21.070 0.154 -17.105 1011 HG1 THR 134 HG1 THR 134 21.763 1.400 -18.869 1012 1HG2 THR 134 HG21 THR 134 20.535 -1.820 -18.497 1013 2HG2 THR 134 HG22 THR 134 19.213 -1.415 -17.394 1014 3HG2 THR 134 HG23 THR 134 19.087 -0.988 -19.117 1015 H VAL 135 H VAL 135 20.172 1.644 -15.245 1016 HA VAL 135 HA VAL 135 18.172 0.185 -13.857 1017 HB VAL 135 HB VAL 135 20.078 2.411 -13.024 1018 1HG1 VAL 135 HG11 VAL 135 18.332 0.679 -11.217 1019 2HG1 VAL 135 HG12 VAL 135 19.679 1.708 -10.676 1020 3HG1 VAL 135 HG13 VAL 135 18.248 2.445 -11.393 1021 1HG2 VAL 135 HG21 VAL 135 21.378 0.601 -12.064 1022 2HG2 VAL 135 HG22 VAL 135 20.112 -0.586 -12.471 1023 3HG2 VAL 135 HG23 VAL 135 21.058 0.200 -13.743 1024 H TYR 136 H TYR 136 18.423 3.704 -14.611 1025 HA TYR 136 HA TYR 136 16.104 4.605 -13.376 1026 1HB TYR 136 HB2 TYR 136 17.648 6.161 -14.332 1027 2HB TYR 136 HB3 TYR 136 17.538 5.413 -15.912 1028 HD1 TYR 136 HD1 TYR 136 16.252 6.423 -17.562 1029 HD2 TYR 136 HD2 TYR 136 15.252 7.038 -13.405 1030 HE1 TYR 136 HE1 TYR 136 14.429 7.975 -18.225 1031 HE2 TYR 136 HE2 TYR 136 13.418 8.556 -14.064 1032 HH TYR 136 HH TYR 136 12.285 9.532 -15.783 1033 H GLN 137 H GLN 137 16.351 3.212 -16.719 1034 HA GLN 137 HA GLN 137 13.513 3.350 -17.162 1035 1HB GLN 137 HB2 GLN 137 15.730 1.668 -18.385 1036 2HB GLN 137 HB3 GLN 137 14.054 1.591 -18.942 1037 1HG GLN 137 HG2 GLN 137 14.045 3.848 -19.679 1038 2HG GLN 137 HG3 GLN 137 15.493 4.263 -18.768 1039 1HE2 GLN 137 HE22 GLN 137 17.551 3.664 -19.514 1040 2HE2 GLN 137 HE21 GLN 137 17.824 3.149 -21.177 1041 H ARG 138 H ARG 138 15.604 0.868 -15.691 1042 HA ARG 138 HA ARG 138 13.569 -1.120 -15.523 1043 1HB ARG 138 HB2 ARG 138 16.234 -1.244 -15.204 1044 2HB ARG 138 HB3 ARG 138 15.818 -1.012 -13.512 1045 1HG ARG 138 HG2 ARG 138 15.941 -3.358 -13.833 1046 2HG ARG 138 HG3 ARG 138 14.228 -3.009 -13.732 1047 1HD ARG 138 HD2 ARG 138 14.622 -4.617 -15.506 1048 2HD ARG 138 HD3 ARG 138 14.091 -3.110 -16.232 1049 HE ARG 138 HE ARG 138 16.169 -2.788 -17.204 1050 1HH1 ARG 138 HH21 ARG 138 16.475 -5.473 -14.890 1051 2HH1 ARG 138 HH22 ARG 138 17.915 -6.096 -15.616 1052 1HH2 ARG 138 HH11 ARG 138 18.042 -3.668 -18.192 1053 2HH2 ARG 138 HH12 ARG 138 18.819 -5.049 -17.522 1054 H LEU 139 H LEU 139 14.158 1.684 -13.438 1055 HA LEU 139 HA LEU 139 12.650 0.791 -11.207 1056 1HB LEU 139 HB2 LEU 139 13.185 3.539 -12.345 1057 2HB LEU 139 HB3 LEU 139 11.970 3.349 -11.114 1058 HG LEU 139 HG LEU 139 14.080 4.148 -10.242 1059 1HD1 LEU 139 HD11 LEU 139 14.217 2.624 -8.287 1060 2HD1 LEU 139 HD12 LEU 139 12.591 3.132 -8.690 1061 3HD1 LEU 139 HD13 LEU 139 13.143 1.488 -9.117 1062 1HD2 LEU 139 HD21 LEU 139 15.217 1.418 -10.918 1063 2HD2 LEU 139 HD22 LEU 139 15.721 3.015 -11.533 1064 3HD2 LEU 139 HD23 LEU 139 15.967 2.612 -9.838 1065 H GLU 140 H GLU 140 11.525 1.372 -14.476 1066 HA GLU 140 HA GLU 140 8.733 1.674 -13.575 1067 1HB GLU 140 HB2 GLU 140 10.094 2.751 -15.682 1068 2HB GLU 140 HB3 GLU 140 9.416 1.345 -16.476 1069 1HG GLU 140 HG2 GLU 140 7.134 2.052 -15.747 1070 2HG GLU 140 HG3 GLU 140 7.835 3.408 -14.866 1071 H GLY 141 H GLY 141 10.782 -0.961 -13.900 1072 1HA GLY 141 HA2 GLY 141 8.561 -2.823 -14.548 1073 2HA GLY 141 HA3 GLY 141 9.960 -2.763 -15.628 1074 H TRP 142 H TRP 142 10.828 -2.232 -12.327 1075 HA TRP 142 HA TRP 142 12.185 -4.677 -11.936 1076 1HB TRP 142 HB2 TRP 142 12.710 -2.598 -10.782 1077 2HB TRP 142 HB3 TRP 142 11.116 -2.567 -10.030 1078 HD1 TRP 142 HD1 TRP 142 14.582 -3.448 -9.401 1079 HE1 TRP 142 HE1 TRP 142 14.871 -4.511 -7.105 1080 HE3 TRP 142 HE3 TRP 142 9.678 -4.602 -8.402 1081 HZ2 TRP 142 HZ2 TRP 142 13.249 -5.765 -5.142 1082 HZ3 TRP 142 HZ3 TRP 142 9.104 -5.809 -6.320 1083 HH2 TRP 142 HH2 TRP 142 10.864 -6.351 -4.648 1084 H GLU 143 H GLU 143 11.544 -6.558 -10.978 1085 HA GLU 143 HA GLU 143 8.649 -6.940 -10.367 1086 1HB GLU 143 HB2 GLU 143 8.620 -8.858 -11.863 1087 2HB GLU 143 HB3 GLU 143 9.090 -7.400 -12.726 1088 1HG GLU 143 HG2 GLU 143 11.462 -8.085 -12.684 1089 2HG GLU 143 HG3 GLU 143 11.061 -9.505 -11.723 1090 H GLY 144 H GLY 144 11.354 -7.056 -8.753 1091 1HA GLY 144 HA2 GLY 144 10.922 -8.284 -6.602 1092 2HA GLY 144 HA3 GLY 144 11.019 -9.773 -7.555 1093 H ASN 145 H ASN 145 13.145 -8.925 -9.294 1094 HA ASN 145 HA ASN 145 15.451 -8.401 -7.484 1095 1HB ASN 145 HB2 ASN 145 14.949 -10.934 -8.152 1096 2HB ASN 145 HB3 ASN 145 15.690 -10.475 -9.680 1097 1HD2 ASN 145 HD22 ASN 145 18.029 -10.374 -9.713 1098 2HD2 ASN 145 HD21 ASN 145 18.972 -10.645 -8.263 1099 H GLY 146 H GLY 146 13.874 -6.777 -9.443 1100 1HA GLY 146 HA2 GLY 146 14.084 -5.332 -11.179 1101 2HA GLY 146 HA3 GLY 146 15.802 -5.340 -10.810 1102 H GLY 147 H GLY 147 14.807 -8.489 -11.777 1103 1HA GLY 147 HA2 GLY 147 15.206 -9.689 -13.701 1104 2HA GLY 147 HA3 GLY 147 15.227 -8.185 -14.640 1105 H PHE 148 H PHE 148 17.321 -7.723 -12.033 1106 HA PHE 148 HA PHE 148 19.765 -8.219 -13.597 1107 1HB PHE 148 HB2 PHE 148 19.226 -6.982 -10.873 1108 2HB PHE 148 HB3 PHE 148 20.812 -7.105 -11.629 1109 HD1 PHE 148 HD1 PHE 148 17.949 -5.004 -11.252 1110 HD2 PHE 148 HD2 PHE 148 20.985 -6.160 -14.088 1111 HE1 PHE 148 HE1 PHE 148 17.661 -2.848 -12.443 1112 HE2 PHE 148 HE2 PHE 148 20.589 -4.057 -15.361 1113 HZ PHE 148 HZ PHE 148 18.950 -2.383 -14.521 1114 H ALA 149 H ALA 149 21.570 -9.192 -12.259 1115 HA ALA 149 HA ALA 149 20.679 -11.735 -10.985 1116 1HB ALA 149 HB1 ALA 149 22.408 -11.959 -12.728 1117 2HB ALA 149 HB2 ALA 149 23.434 -10.770 -11.900 1118 3HB ALA 149 HB3 ALA 149 23.092 -12.335 -11.136 1119 H GLN 150 H GLN 150 21.568 -12.264 -8.926 1120 HA GLN 150 HA GLN 150 21.913 -9.945 -7.140 1121 1HB GLN 150 HB2 GLN 150 20.317 -12.006 -6.840 1122 2HB GLN 150 HB3 GLN 150 21.771 -12.867 -6.309 1123 1HG GLN 150 HG2 GLN 150 20.752 -10.251 -5.104 1124 2HG GLN 150 HG3 GLN 150 20.245 -11.836 -4.540 1125 1HE2 GLN 150 HE22 GLN 150 22.855 -9.481 -4.503 1126 2HE2 GLN 150 HE21 GLN 150 23.998 -10.471 -3.611 1127 H LEU 151 H LEU 151 23.935 -9.353 -6.505 1128 HA LEU 151 HA LEU 151 26.330 -10.388 -7.544 1129 1HB LEU 151 HB2 LEU 151 26.084 -8.108 -6.603 1130 2HB LEU 151 HB3 LEU 151 25.749 -8.786 -5.014 1131 HG LEU 151 HG LEU 151 28.076 -9.731 -4.946 1132 1HD1 LEU 151 HD11 LEU 151 28.413 -8.211 -7.562 1133 2HD1 LEU 151 HD12 LEU 151 29.733 -8.926 -6.606 1134 3HD1 LEU 151 HD13 LEU 151 28.523 -9.963 -7.365 1135 1HD2 LEU 151 HD21 LEU 151 27.707 -6.753 -5.410 1136 2HD2 LEU 151 HD22 LEU 151 27.679 -7.635 -3.881 1137 3HD2 LEU 151 HD23 LEU 151 29.201 -7.482 -4.763 1138 H ALA 152 H ALA 152 27.462 -12.154 -7.041 1139 HA ALA 152 HA ALA 152 27.602 -13.039 -4.231 1140 1HB ALA 152 HB1 ALA 152 25.814 -14.415 -5.225 1141 2HB ALA 152 HB2 ALA 152 26.938 -14.958 -6.502 1142 3HB ALA 152 HB3 ALA 152 27.240 -15.379 -4.795 1143 H VAL 153 H VAL 153 29.299 -11.470 -5.808 1144 HA VAL 153 HA VAL 153 31.413 -11.172 -6.450 1145 HB VAL 153 HB VAL 153 32.024 -13.306 -4.390 1146 1HG1 VAL 153 HG11 VAL 153 33.436 -10.676 -5.102 1147 2HG1 VAL 153 HG12 VAL 153 33.957 -11.837 -3.862 1148 3HG1 VAL 153 HG13 VAL 153 34.006 -12.291 -5.565 1149 1HG2 VAL 153 HG21 VAL 153 31.928 -11.443 -2.699 1150 2HG2 VAL 153 HG22 VAL 153 31.143 -10.430 -3.929 1151 3HG2 VAL 153 HG23 VAL 153 30.356 -11.906 -3.331 1152 H GLU 154 H GLU 154 30.247 -12.482 -8.388 1153 HA GLU 154 HA GLU 154 31.347 -14.886 -9.301 1154 1HB GLU 154 HB2 GLU 154 30.774 -12.473 -11.074 1155 2HB GLU 154 HB3 GLU 154 30.825 -14.167 -11.533 1156 1HG GLU 154 HG2 GLU 154 28.576 -13.831 -11.449 1157 2HG GLU 154 HG3 GLU 154 28.847 -14.459 -9.822 1158 H GLU 155 H GLU 155 33.124 -15.383 -10.708 1159 HA GLU 155 HA GLU 155 35.152 -13.430 -11.348 1160 1HB GLU 155 HB2 GLU 155 36.975 -14.584 -10.181 1161 2HB GLU 155 HB3 GLU 155 35.818 -13.911 -9.042 1162 1HG GLU 155 HG2 GLU 155 34.819 -16.151 -8.689 1163 2HG GLU 155 HG3 GLU 155 35.926 -16.845 -9.876 1164 H GLU 156 H GLU 156 37.001 -14.694 -12.526 1165 HA GLU 156 HA GLU 156 36.162 -17.182 -13.831 1166 1HB GLU 156 HB2 GLU 156 36.769 -14.589 -15.336 1167 2HB GLU 156 HB3 GLU 156 36.767 -16.197 -16.062 1168 1HG GLU 156 HG2 GLU 156 34.363 -16.463 -15.436 1169 2HG GLU 156 HG3 GLU 156 34.359 -14.807 -14.819 Start of MODEL 18 1 1H MET 1 H1 MET 1 -0.919 0.424 0.529 2 2H MET 1 H2 MET 1 -0.665 1.968 1.016 3 3H MET 1 H3 MET 1 -0.727 1.628 -0.577 4 HA MET 1 HA MET 1 1.322 0.742 1.325 5 1HB MET 1 HB2 MET 1 2.521 -0.293 -0.455 6 2HB MET 1 HB3 MET 1 0.912 -0.985 -0.404 7 1HG MET 1 HG2 MET 1 0.256 0.336 -2.370 8 2HG MET 1 HG3 MET 1 1.814 1.163 -2.380 9 1HE MET 1 HE1 MET 1 4.321 -1.494 -3.668 10 2HE MET 1 HE2 MET 1 4.052 0.199 -3.206 11 3HE MET 1 HE3 MET 1 4.039 -1.079 -1.968 12 H THR 2 H THR 2 3.474 1.612 0.881 13 HA THR 2 HA THR 2 3.612 4.076 -0.749 14 HB THR 2 HB THR 2 4.618 3.897 2.127 15 HG1 THR 2 HG1 THR 2 2.947 5.185 2.686 16 1HG2 THR 2 HG21 THR 2 4.889 6.394 1.844 17 2HG2 THR 2 HG22 THR 2 5.982 5.449 0.827 18 3HG2 THR 2 HG23 THR 2 4.536 6.198 0.115 19 H ASP 3 H ASP 3 5.901 4.443 -1.435 20 HA ASP 3 HA ASP 3 7.706 2.111 -1.145 21 1HB ASP 3 HB2 ASP 3 6.143 1.451 -2.887 22 2HB ASP 3 HB3 ASP 3 6.275 3.031 -3.667 23 H VAL 4 H VAL 4 9.853 2.748 -1.561 24 HA VAL 4 HA VAL 4 10.286 5.617 -2.276 25 HB VAL 4 HB VAL 4 11.274 4.099 0.166 26 1HG1 VAL 4 HG11 VAL 4 12.080 6.909 -0.717 27 2HG1 VAL 4 HG12 VAL 4 12.478 6.135 0.835 28 3HG1 VAL 4 HG13 VAL 4 13.153 5.496 -0.654 29 1HG2 VAL 4 HG21 VAL 4 9.621 6.646 -0.121 30 2HG2 VAL 4 HG22 VAL 4 9.020 5.076 0.437 31 3HG2 VAL 4 HG23 VAL 4 10.202 5.971 1.406 32 H LEU 5 H LEU 5 12.206 6.129 -3.196 33 HA LEU 5 HA LEU 5 14.104 3.948 -3.920 34 1HB LEU 5 HB2 LEU 5 13.118 4.693 -5.980 35 2HB LEU 5 HB3 LEU 5 13.166 6.385 -5.470 36 HG LEU 5 HG LEU 5 15.673 6.325 -5.585 37 1HD1 LEU 5 HD11 LEU 5 15.241 3.557 -6.801 38 2HD1 LEU 5 HD12 LEU 5 16.771 4.464 -6.773 39 3HD1 LEU 5 HD13 LEU 5 16.061 3.898 -5.263 40 1HD2 LEU 5 HD21 LEU 5 14.176 5.531 -8.104 41 2HD2 LEU 5 HD22 LEU 5 14.344 7.172 -7.447 42 3HD2 LEU 5 HD23 LEU 5 15.773 6.318 -8.046 43 H LEU 6 H LEU 6 16.015 4.313 -2.850 44 HA LEU 6 HA LEU 6 16.591 7.057 -1.812 45 1HB LEU 6 HB2 LEU 6 16.174 5.565 0.013 46 2HB LEU 6 HB3 LEU 6 17.242 4.337 -0.689 47 HG LEU 6 HG LEU 6 19.199 5.867 -0.330 48 1HD1 LEU 6 HD11 LEU 6 18.104 8.043 -0.388 49 2HD1 LEU 6 HD12 LEU 6 17.142 7.630 1.051 50 3HD1 LEU 6 HD13 LEU 6 18.905 7.827 1.171 51 1HD2 LEU 6 HD21 LEU 6 19.221 5.618 2.154 52 2HD2 LEU 6 HD22 LEU 6 17.503 5.158 2.083 53 3HD2 LEU 6 HD23 LEU 6 18.724 4.155 1.299 54 H CYS 7 H CYS 7 17.718 7.831 -3.480 55 HA CYS 7 HA CYS 7 19.932 6.387 -4.743 56 1HB CYS 7 HB2 CYS 7 18.883 9.252 -4.734 57 2HB CYS 7 HB3 CYS 7 20.316 8.757 -5.627 58 HG CYS 7 HG CYS 7 18.366 8.820 -7.333 59 H VAL 8 H VAL 8 22.089 6.539 -4.144 60 HA VAL 8 HA VAL 8 22.900 8.392 -1.981 61 HB VAL 8 HB VAL 8 23.553 5.418 -2.153 62 1HG1 VAL 8 HG11 VAL 8 24.259 7.463 -0.025 63 2HG1 VAL 8 HG12 VAL 8 24.586 5.715 0.064 64 3HG1 VAL 8 HG13 VAL 8 25.393 6.692 -1.154 65 1HG2 VAL 8 HG21 VAL 8 22.280 5.203 -0.001 66 2HG2 VAL 8 HG22 VAL 8 21.651 6.846 -0.277 67 3HG2 VAL 8 HG23 VAL 8 21.285 5.531 -1.414 68 H GLY 9 H GLY 9 25.007 9.177 -2.302 69 1HA GLY 9 HA2 GLY 9 27.239 8.299 -3.381 70 2HA GLY 9 HA3 GLY 9 26.330 8.560 -4.873 71 H ASN 10 H ASN 10 28.637 9.982 -4.566 72 HA ASN 10 HA ASN 10 27.688 12.780 -4.026 73 1HB ASN 10 HB2 ASN 10 29.577 12.178 -2.630 74 2HB ASN 10 HB3 ASN 10 30.473 11.573 -4.008 75 1HD2 ASN 10 HD22 ASN 10 30.334 14.171 -1.954 76 2HD2 ASN 10 HD21 ASN 10 30.965 15.398 -3.022 77 H SER 11 H SER 11 27.228 13.882 -5.797 78 HA SER 11 HA SER 11 27.172 12.856 -8.305 79 1HB SER 11 HB2 SER 11 27.283 15.828 -7.750 80 2HB SER 11 HB3 SER 11 26.242 14.952 -8.884 81 HG SER 11 HG SER 11 25.139 15.640 -6.976 82 H MET 12 H MET 12 30.081 14.158 -6.926 83 HA MET 12 HA MET 12 31.253 14.459 -9.643 84 1HB MET 12 HB2 MET 12 32.474 16.417 -8.975 85 2HB MET 12 HB3 MET 12 30.751 16.716 -8.765 86 1HG MET 12 HG2 MET 12 30.934 16.418 -6.354 87 2HG MET 12 HG3 MET 12 32.617 15.899 -6.496 88 1HE MET 12 HE1 MET 12 33.405 17.543 -4.646 89 2HE MET 12 HE2 MET 12 33.007 19.275 -4.620 90 3HE MET 12 HE3 MET 12 31.719 18.066 -4.425 91 H MET 13 H MET 13 31.234 12.399 -7.213 92 HA MET 13 HA MET 13 34.149 12.330 -6.785 93 1HB MET 13 HB2 MET 13 32.600 12.225 -4.871 94 2HB MET 13 HB3 MET 13 31.993 10.684 -5.466 95 1HG MET 13 HG2 MET 13 34.329 9.765 -5.246 96 2HG MET 13 HG3 MET 13 34.835 11.332 -4.606 97 1HE MET 13 HE1 MET 13 35.024 8.982 -1.533 98 2HE MET 13 HE2 MET 13 35.350 8.566 -3.236 99 3HE MET 13 HE3 MET 13 35.869 10.141 -2.590 100 H GLY 14 H GLY 14 33.193 11.924 -9.460 101 1HA GLY 14 HA2 GLY 14 33.623 10.507 -11.203 102 2HA GLY 14 HA3 GLY 14 34.260 9.311 -10.070 103 H ASP 15 H ASP 15 33.178 7.589 -10.791 104 HA ASP 15 HA ASP 15 30.480 7.367 -11.613 105 1HB ASP 15 HB2 ASP 15 32.438 5.334 -10.497 106 2HB ASP 15 HB3 ASP 15 30.888 4.907 -11.186 107 H ASP 16 H ASP 16 31.811 7.644 -8.432 108 HA ASP 16 HA ASP 16 30.044 6.180 -6.829 109 1HB ASP 16 HB2 ASP 16 32.111 7.357 -6.108 110 2HB ASP 16 HB3 ASP 16 31.278 8.898 -6.349 111 H GLY 17 H GLY 17 29.472 9.167 -8.619 112 1HA GLY 17 HA2 GLY 17 27.151 10.043 -7.168 113 2HA GLY 17 HA3 GLY 17 27.685 10.585 -8.763 114 H ALA 18 H ALA 18 26.878 7.150 -7.992 115 HA ALA 18 HA ALA 18 25.374 6.994 -10.447 116 1HB ALA 18 HB1 ALA 18 26.638 5.083 -9.547 117 2HB ALA 18 HB2 ALA 18 25.573 5.041 -8.120 118 3HB ALA 18 HB3 ALA 18 24.919 4.694 -9.733 119 H GLY 19 H GLY 19 24.438 6.950 -6.966 120 1HA GLY 19 HA2 GLY 19 21.629 6.869 -7.337 121 2HA GLY 19 HA3 GLY 19 22.486 7.531 -5.941 122 HA PRO 20 HA PRO 20 21.798 11.745 -7.082 123 1HB PRO 20 HB2 PRO 20 24.579 12.026 -8.261 124 2HB PRO 20 HB3 PRO 20 23.644 13.204 -7.282 125 1HG PRO 20 HG2 PRO 20 25.506 11.598 -6.111 126 2HG PRO 20 HG3 PRO 20 23.947 11.915 -5.295 127 1HD PRO 20 HD2 PRO 20 24.845 9.442 -6.708 128 2HD PRO 20 HD3 PRO 20 23.722 9.638 -5.341 129 H LEU 21 H LEU 21 23.512 10.098 -9.893 130 HA LEU 21 HA LEU 21 22.200 11.839 -11.786 131 1HB LEU 21 HB2 LEU 21 24.311 10.733 -12.309 132 2HB LEU 21 HB3 LEU 21 23.576 9.149 -12.105 133 HG LEU 21 HG LEU 21 22.077 9.593 -14.061 134 1HD1 LEU 21 HD11 LEU 21 23.637 12.207 -14.264 135 2HD1 LEU 21 HD12 LEU 21 22.603 11.548 -15.548 136 3HD1 LEU 21 HD13 LEU 21 21.886 12.029 -14.010 137 1HD2 LEU 21 HD21 LEU 21 25.021 10.042 -14.662 138 2HD2 LEU 21 HD22 LEU 21 24.247 8.471 -14.370 139 3HD2 LEU 21 HD23 LEU 21 23.794 9.423 -15.792 140 H LEU 22 H LEU 22 21.435 8.624 -10.373 141 HA LEU 22 HA LEU 22 19.161 8.108 -12.023 142 1HB LEU 22 HB2 LEU 22 20.236 6.369 -10.626 143 2HB LEU 22 HB3 LEU 22 19.797 7.238 -9.168 144 HG LEU 22 HG LEU 22 17.418 6.920 -9.615 145 1HD1 LEU 22 HD11 LEU 22 17.306 6.837 -12.044 146 2HD1 LEU 22 HD12 LEU 22 18.370 5.408 -12.101 147 3HD1 LEU 22 HD13 LEU 22 16.729 5.293 -11.434 148 1HD2 LEU 22 HD21 LEU 22 18.676 5.226 -8.329 149 2HD2 LEU 22 HD22 LEU 22 17.333 4.495 -9.221 150 3HD2 LEU 22 HD23 LEU 22 18.992 4.324 -9.830 151 H ALA 23 H ALA 23 19.507 9.729 -8.847 152 HA ALA 23 HA ALA 23 16.782 10.327 -8.395 153 1HB ALA 23 HB1 ALA 23 19.247 11.943 -7.571 154 2HB ALA 23 HB2 ALA 23 17.617 12.116 -6.897 155 3HB ALA 23 HB3 ALA 23 18.519 10.622 -6.637 156 H GLU 24 H GLU 24 19.244 12.161 -10.280 157 HA GLU 24 HA GLU 24 17.621 14.446 -10.775 158 1HB GLU 24 HB2 GLU 24 20.003 14.507 -11.179 159 2HB GLU 24 HB3 GLU 24 19.921 13.142 -12.279 160 1HG GLU 24 HG2 GLU 24 20.249 15.185 -13.523 161 2HG GLU 24 HG3 GLU 24 18.723 14.425 -13.945 162 H LYS 25 H LYS 25 18.083 11.428 -12.617 163 HA LYS 25 HA LYS 25 16.308 12.103 -14.763 164 1HB LYS 25 HB2 LYS 25 17.361 9.485 -13.630 165 2HB LYS 25 HB3 LYS 25 16.332 9.557 -15.074 166 1HG LYS 25 HG2 LYS 25 17.957 10.855 -16.283 167 2HG LYS 25 HG3 LYS 25 18.982 11.034 -14.849 168 1HD LYS 25 HD2 LYS 25 19.360 8.607 -14.764 169 2HD LYS 25 HD3 LYS 25 18.325 8.357 -16.175 170 1HE LYS 25 HE2 LYS 25 20.841 10.087 -16.190 171 2HE LYS 25 HE3 LYS 25 20.834 8.369 -16.611 172 1HZ LYS 25 HZ1 LYS 25 19.274 10.432 -18.055 173 2HZ LYS 25 HZ2 LYS 25 20.665 9.756 -18.577 174 3HZ LYS 25 HZ3 LYS 25 19.329 8.827 -18.418 175 H CYS 26 H CYS 26 15.722 10.107 -11.784 176 HA CYS 26 HA CYS 26 12.970 9.681 -12.355 177 1HB CYS 26 HB2 CYS 26 14.425 9.745 -9.675 178 2HB CYS 26 HB3 CYS 26 12.788 9.110 -9.957 179 HG CYS 26 HG CYS 26 14.469 7.120 -9.723 180 H ALA 27 H ALA 27 14.589 12.402 -10.587 181 HA ALA 27 HA ALA 27 12.178 13.625 -9.746 182 1HB ALA 27 HB1 ALA 27 14.363 14.248 -8.822 183 2HB ALA 27 HB2 ALA 27 14.871 14.896 -10.401 184 3HB ALA 27 HB3 ALA 27 13.548 15.667 -9.502 185 H ALA 28 H ALA 28 14.008 13.853 -12.838 186 HA ALA 28 HA ALA 28 12.453 15.973 -13.926 187 1HB ALA 28 HB1 ALA 28 14.706 15.368 -14.748 188 2HB ALA 28 HB2 ALA 28 14.071 13.819 -15.351 189 3HB ALA 28 HB3 ALA 28 13.503 15.344 -16.054 190 H ALA 29 H ALA 29 12.068 12.453 -13.871 191 HA ALA 29 HA ALA 29 9.321 12.588 -14.905 192 1HB ALA 29 HB1 ALA 29 9.906 10.891 -16.681 193 2HB ALA 29 HB2 ALA 29 10.539 12.525 -16.984 194 3HB ALA 29 HB3 ALA 29 11.621 11.263 -16.369 195 HA PRO 30 HA PRO 30 9.918 9.616 -11.462 196 1HB PRO 30 HB2 PRO 30 6.909 9.685 -11.736 197 2HB PRO 30 HB3 PRO 30 7.905 9.633 -10.244 198 1HG PRO 30 HG2 PRO 30 6.843 11.978 -11.078 199 2HG PRO 30 HG3 PRO 30 8.544 11.923 -10.507 200 1HD PRO 30 HD2 PRO 30 7.516 11.947 -13.353 201 2HD PRO 30 HD3 PRO 30 8.891 12.841 -12.632 202 H LYS 31 H LYS 31 9.299 7.371 -11.076 203 HA LYS 31 HA LYS 31 8.337 5.799 -13.405 204 1HB LYS 31 HB2 LYS 31 10.875 5.303 -11.763 205 2HB LYS 31 HB3 LYS 31 10.193 4.144 -12.883 206 1HG LYS 31 HG2 LYS 31 11.233 6.907 -13.695 207 2HG LYS 31 HG3 LYS 31 12.156 5.417 -13.755 208 1HD LYS 31 HD2 LYS 31 10.397 4.451 -15.304 209 2HD LYS 31 HD3 LYS 31 9.657 6.069 -15.371 210 1HE LYS 31 HE2 LYS 31 11.868 6.962 -16.193 211 2HE LYS 31 HE3 LYS 31 12.498 5.310 -16.178 212 1HZ LYS 31 HZ1 LYS 31 11.814 5.572 -18.354 213 2HZ LYS 31 HZ2 LYS 31 10.482 4.858 -17.723 214 3HZ LYS 31 HZ3 LYS 31 10.488 6.472 -17.972 215 H GLY 32 H GLY 32 7.657 3.628 -12.688 216 1HA GLY 32 HA2 GLY 32 6.351 2.289 -11.361 217 2HA GLY 32 HA3 GLY 32 7.692 2.457 -10.231 218 H ASN 33 H ASN 33 7.012 2.999 -8.255 219 HA ASN 33 HA ASN 33 5.040 5.193 -7.906 220 1HB ASN 33 HB2 ASN 33 3.922 2.942 -7.596 221 2HB ASN 33 HB3 ASN 33 5.065 2.612 -6.292 222 1HD2 ASN 33 HD22 ASN 33 3.812 2.727 -4.413 223 2HD2 ASN 33 HD21 ASN 33 2.742 4.049 -4.023 224 H TRP 34 H TRP 34 8.154 4.567 -7.650 225 HA TRP 34 HA TRP 34 8.677 4.593 -4.846 226 1HB TRP 34 HB2 TRP 34 10.781 5.457 -6.805 227 2HB TRP 34 HB3 TRP 34 10.888 4.421 -5.398 228 HD1 TRP 34 HD1 TRP 34 9.899 4.384 -9.080 229 HE1 TRP 34 HE1 TRP 34 10.042 1.986 -10.025 230 HE3 TRP 34 HE3 TRP 34 11.100 1.859 -4.778 231 HZ2 TRP 34 HZ2 TRP 34 10.797 -0.553 -9.117 232 HZ3 TRP 34 HZ3 TRP 34 11.577 -0.566 -4.871 233 HH2 TRP 34 HH2 TRP 34 11.449 -1.799 -7.026 234 H VAL 35 H VAL 35 8.409 6.370 -3.533 235 HA VAL 35 HA VAL 35 8.510 9.099 -4.515 236 HB VAL 35 HB VAL 35 8.735 7.928 -1.702 237 1HG1 VAL 35 HG11 VAL 35 8.238 10.808 -2.581 238 2HG1 VAL 35 HG12 VAL 35 8.145 10.204 -0.913 239 3HG1 VAL 35 HG13 VAL 35 9.693 10.197 -1.763 240 1HG2 VAL 35 HG21 VAL 35 6.343 9.146 -3.154 241 2HG2 VAL 35 HG22 VAL 35 6.544 7.433 -2.733 242 3HG2 VAL 35 HG23 VAL 35 6.375 8.635 -1.452 243 H VAL 36 H VAL 36 10.403 10.057 -5.161 244 HA VAL 36 HA VAL 36 12.917 8.662 -4.847 245 HB VAL 36 HB VAL 36 12.395 11.480 -5.898 246 1HG1 VAL 36 HG11 VAL 36 14.675 9.512 -6.430 247 2HG1 VAL 36 HG12 VAL 36 14.463 11.094 -7.215 248 3HG1 VAL 36 HG13 VAL 36 14.787 11.010 -5.483 249 1HG2 VAL 36 HG21 VAL 36 12.328 10.490 -8.150 250 2HG2 VAL 36 HG22 VAL 36 12.395 8.852 -7.447 251 3HG2 VAL 36 HG23 VAL 36 10.990 9.902 -7.178 252 H ILE 37 H ILE 37 14.437 8.980 -3.296 253 HA ILE 37 HA ILE 37 14.588 11.519 -1.792 254 HB ILE 37 HB ILE 37 14.705 8.679 -0.664 255 1HG1 ILE 37 HG12 ILE 37 13.013 11.119 0.070 256 2HG1 ILE 37 HG13 ILE 37 12.445 9.669 -0.765 257 1HG2 ILE 37 HG21 ILE 37 16.632 10.004 0.221 258 2HG2 ILE 37 HG22 ILE 37 15.495 11.246 0.787 259 3HG2 ILE 37 HG23 ILE 37 15.474 9.601 1.465 260 1HD1 ILE 37 HD11 ILE 37 13.314 9.873 2.134 261 2HD1 ILE 37 HD12 ILE 37 11.702 9.540 1.487 262 3HD1 ILE 37 HD13 ILE 37 12.991 8.341 1.286 263 H ASP 38 H ASP 38 16.746 12.173 -1.641 264 HA ASP 38 HA ASP 38 18.841 10.420 -2.847 265 1HB ASP 38 HB2 ASP 38 18.412 12.019 -4.549 266 2HB ASP 38 HB3 ASP 38 18.332 13.351 -3.389 267 H GLY 39 H GLY 39 19.977 9.859 -1.106 268 1HA GLY 39 HA2 GLY 39 20.108 11.519 1.300 269 2HA GLY 39 HA3 GLY 39 20.832 9.927 1.025 270 H GLY 40 H GLY 40 21.795 11.666 -1.650 271 1HA GLY 40 HA2 GLY 40 23.871 12.417 -2.263 272 2HA GLY 40 HA3 GLY 40 24.008 13.205 -0.673 273 H SER 41 H SER 41 26.189 12.489 -0.311 274 HA SER 41 HA SER 41 26.716 9.610 -0.269 275 1HB SER 41 HB2 SER 41 29.037 10.496 0.367 276 2HB SER 41 HB3 SER 41 28.399 10.857 -1.245 277 HG SER 41 HG SER 41 29.383 12.652 0.056 278 H ALA 42 H ALA 42 24.902 11.291 1.782 279 HA ALA 42 HA ALA 42 25.975 10.024 4.238 280 1HB ALA 42 HB1 ALA 42 25.159 12.953 4.002 281 2HB ALA 42 HB2 ALA 42 25.600 12.104 5.499 282 3HB ALA 42 HB3 ALA 42 26.816 12.343 4.231 283 HA PRO 43 HA PRO 43 21.391 9.743 3.202 284 1HB PRO 43 HB2 PRO 43 21.016 7.052 3.017 285 2HB PRO 43 HB3 PRO 43 21.731 8.006 1.685 286 1HG PRO 43 HG2 PRO 43 23.223 6.476 3.845 287 2HG PRO 43 HG3 PRO 43 23.425 6.328 2.072 288 1HD PRO 43 HD2 PRO 43 25.045 7.940 3.530 289 2HD PRO 43 HD3 PRO 43 24.442 8.484 1.936 290 H GLU 44 H GLU 44 23.365 8.454 5.782 291 HA GLU 44 HA GLU 44 21.375 7.417 7.472 292 1HB GLU 44 HB2 GLU 44 22.940 7.854 9.301 293 2HB GLU 44 HB3 GLU 44 23.648 7.043 7.918 294 1HG GLU 44 HG2 GLU 44 25.299 8.519 8.622 295 2HG GLU 44 HG3 GLU 44 24.630 9.248 7.174 296 H ASN 45 H ASN 45 22.223 10.764 6.783 297 HA ASN 45 HA ASN 45 20.731 12.006 8.831 298 1HB ASN 45 HB2 ASN 45 21.247 13.948 7.800 299 2HB ASN 45 HB3 ASN 45 22.360 12.942 6.877 300 1HD2 ASN 45 HD22 ASN 45 21.687 12.299 4.643 301 2HD2 ASN 45 HD21 ASN 45 20.265 13.027 3.886 302 H ASP 46 H ASP 46 19.658 10.395 5.934 303 HA ASP 46 HA ASP 46 17.030 11.766 5.904 304 1HB ASP 46 HB2 ASP 46 18.719 10.333 3.884 305 2HB ASP 46 HB3 ASP 46 16.984 10.172 3.707 306 H ILE 47 H ILE 47 18.292 9.042 7.390 307 HA ILE 47 HA ILE 47 16.345 7.050 6.959 308 HB ILE 47 HB ILE 47 17.971 7.801 9.410 309 1HG1 ILE 47 HG12 ILE 47 18.251 5.524 7.389 310 2HG1 ILE 47 HG13 ILE 47 19.157 7.025 7.322 311 1HG2 ILE 47 HG21 ILE 47 15.996 6.584 10.218 312 2HG2 ILE 47 HG22 ILE 47 16.259 5.303 9.018 313 3HG2 ILE 47 HG23 ILE 47 17.412 5.561 10.347 314 1HD1 ILE 47 HD11 ILE 47 20.581 5.370 8.298 315 2HD1 ILE 47 HD12 ILE 47 20.129 6.505 9.583 316 3HD1 ILE 47 HD13 ILE 47 19.360 4.899 9.483 317 H VAL 48 H VAL 48 16.204 9.927 9.118 318 HA VAL 48 HA VAL 48 13.702 9.298 10.300 319 HB VAL 48 HB VAL 48 14.909 12.039 9.724 320 1HG1 VAL 48 HG11 VAL 48 13.616 12.775 11.711 321 2HG1 VAL 48 HG12 VAL 48 12.547 12.199 10.429 322 3HG1 VAL 48 HG13 VAL 48 12.880 11.161 11.832 323 1HG2 VAL 48 HG21 VAL 48 15.816 11.883 12.048 324 2HG2 VAL 48 HG22 VAL 48 15.280 10.192 12.128 325 3HG2 VAL 48 HG23 VAL 48 16.538 10.690 10.975 326 H ALA 49 H ALA 49 14.512 10.896 7.192 327 HA ALA 49 HA ALA 49 11.862 11.859 6.695 328 1HB ALA 49 HB1 ALA 49 14.119 11.301 4.726 329 2HB ALA 49 HB2 ALA 49 12.676 12.283 4.422 330 3HB ALA 49 HB3 ALA 49 13.877 12.830 5.613 331 H ILE 50 H ILE 50 13.699 8.985 5.637 332 HA ILE 50 HA ILE 50 11.644 7.727 4.132 333 HB ILE 50 HB ILE 50 13.874 6.498 5.811 334 1HG1 ILE 50 HG12 ILE 50 13.921 6.955 2.801 335 2HG1 ILE 50 HG13 ILE 50 14.560 8.150 3.918 336 1HG2 ILE 50 HG21 ILE 50 12.279 5.300 3.501 337 2HG2 ILE 50 HG22 ILE 50 13.626 4.516 4.351 338 3HG2 ILE 50 HG23 ILE 50 12.126 4.841 5.210 339 1HD1 ILE 50 HD11 ILE 50 16.093 6.380 4.862 340 2HD1 ILE 50 HD12 ILE 50 15.575 5.319 3.532 341 3HD1 ILE 50 HD13 ILE 50 16.395 6.857 3.188 342 H ARG 51 H ARG 51 12.460 7.531 7.653 343 HA ARG 51 HA ARG 51 10.506 5.578 8.291 344 1HB ARG 51 HB2 ARG 51 11.933 7.679 9.957 345 2HB ARG 51 HB3 ARG 51 10.709 6.623 10.661 346 1HG ARG 51 HG2 ARG 51 11.956 4.623 10.038 347 2HG ARG 51 HG3 ARG 51 13.199 5.601 9.237 348 1HD ARG 51 HD2 ARG 51 13.788 6.676 11.351 349 2HD ARG 51 HD3 ARG 51 12.461 5.835 12.179 350 HE ARG 51 HE ARG 51 14.169 3.903 10.961 351 1HH1 ARG 51 HH21 ARG 51 14.193 6.199 13.683 352 2HH1 ARG 51 HH22 ARG 51 15.216 5.222 14.667 353 1HH2 ARG 51 HH11 ARG 51 15.467 2.625 12.244 354 2HH2 ARG 51 HH12 ARG 51 15.964 3.117 13.840 355 H GLU 52 H GLU 52 10.145 9.163 8.167 356 HA GLU 52 HA GLU 52 7.597 9.294 9.345 357 1HB GLU 52 HB2 GLU 52 8.872 10.915 7.111 358 2HB GLU 52 HB3 GLU 52 7.274 11.296 7.728 359 1HG GLU 52 HG2 GLU 52 9.761 11.203 9.473 360 2HG GLU 52 HG3 GLU 52 9.132 12.652 8.699 361 H LEU 53 H LEU 53 8.471 8.070 6.136 362 HA LEU 53 HA LEU 53 5.723 8.165 5.179 363 1HB LEU 53 HB2 LEU 53 8.199 6.953 3.904 364 2HB LEU 53 HB3 LEU 53 6.659 7.256 3.115 365 HG LEU 53 HG LEU 53 8.630 9.337 4.123 366 1HD1 LEU 53 HD11 LEU 53 9.275 8.226 2.039 367 2HD1 LEU 53 HD12 LEU 53 7.699 8.620 1.315 368 3HD1 LEU 53 HD13 LEU 53 8.843 9.913 1.746 369 1HD2 LEU 53 HD21 LEU 53 7.137 11.035 3.089 370 2HD2 LEU 53 HD22 LEU 53 5.895 9.780 2.862 371 3HD2 LEU 53 HD23 LEU 53 6.417 10.262 4.497 372 H ARG 54 H ARG 54 7.455 6.032 7.140 373 HA ARG 54 HA ARG 54 7.710 3.758 7.296 374 1HB ARG 54 HB2 ARG 54 4.718 4.127 7.672 375 2HB ARG 54 HB3 ARG 54 5.638 2.689 8.137 376 1HG ARG 54 HG2 ARG 54 7.090 4.153 9.609 377 2HG ARG 54 HG3 ARG 54 6.001 5.501 9.236 378 1HD ARG 54 HD2 ARG 54 5.346 4.576 11.350 379 2HD ARG 54 HD3 ARG 54 4.096 4.193 10.154 380 HE ARG 54 HE ARG 54 6.116 2.096 10.454 381 1HH1 ARG 54 HH21 ARG 54 3.069 3.363 11.804 382 2HH1 ARG 54 HH22 ARG 54 2.595 1.864 12.511 383 1HH2 ARG 54 HH11 ARG 54 5.518 0.129 11.438 384 2HH2 ARG 54 HH12 ARG 54 4.007 -0.026 12.285 385 HA PRO 55 HA PRO 55 6.481 3.082 2.836 386 1HB PRO 55 HB2 PRO 55 9.234 1.908 2.701 387 2HB PRO 55 HB3 PRO 55 8.387 2.965 1.531 388 1HG PRO 55 HG2 PRO 55 10.298 3.988 3.164 389 2HG PRO 55 HG3 PRO 55 8.778 4.893 2.858 390 1HD PRO 55 HD2 PRO 55 9.473 3.218 5.266 391 2HD PRO 55 HD3 PRO 55 8.736 4.827 5.172 392 H THR 56 H THR 56 5.707 1.191 1.883 393 HA THR 56 HA THR 56 5.767 -1.316 3.338 394 HB THR 56 HB THR 56 4.888 -0.823 0.471 395 HG1 THR 56 HG1 THR 56 3.475 -0.177 2.848 396 1HG2 THR 56 HG21 THR 56 4.762 -3.153 1.251 397 2HG2 THR 56 HG22 THR 56 3.788 -2.649 2.649 398 3HG2 THR 56 HG23 THR 56 3.142 -2.479 1.001 399 H ARG 57 H ARG 57 7.565 0.283 0.720 400 HA ARG 57 HA ARG 57 9.491 -1.956 0.669 401 1HB ARG 57 HB2 ARG 57 7.845 -2.407 -1.107 402 2HB ARG 57 HB3 ARG 57 8.101 -0.793 -1.772 403 1HG ARG 57 HG2 ARG 57 10.472 -1.422 -2.314 404 2HG ARG 57 HG3 ARG 57 10.182 -3.016 -1.593 405 1HD ARG 57 HD2 ARG 57 9.998 -3.196 -3.995 406 2HD ARG 57 HD3 ARG 57 8.377 -3.385 -3.303 407 HE ARG 57 HE ARG 57 8.978 -0.622 -4.010 408 1HH1 ARG 57 HH21 ARG 57 7.778 -3.687 -5.341 409 2HH1 ARG 57 HH22 ARG 57 7.060 -2.966 -6.736 410 1HH2 ARG 57 HH11 ARG 57 8.062 0.339 -5.850 411 2HH2 ARG 57 HH12 ARG 57 7.261 -0.627 -7.054 412 H LEU 58 H LEU 58 11.567 -1.328 -0.011 413 HA LEU 58 HA LEU 58 12.094 1.505 -0.705 414 1HB LEU 58 HB2 LEU 58 12.339 1.448 1.705 415 2HB LEU 58 HB3 LEU 58 13.250 -0.065 1.627 416 HG LEU 58 HG LEU 58 15.139 1.080 0.563 417 1HD1 LEU 58 HD11 LEU 58 13.980 2.937 -0.604 418 2HD1 LEU 58 HD12 LEU 58 13.529 3.633 0.973 419 3HD1 LEU 58 HD13 LEU 58 15.229 3.540 0.480 420 1HD2 LEU 58 HD21 LEU 58 14.211 2.498 3.094 421 2HD2 LEU 58 HD22 LEU 58 15.005 0.914 3.046 422 3HD2 LEU 58 HD23 LEU 58 15.884 2.355 2.517 423 H LEU 59 H LEU 59 13.666 1.597 -2.287 424 HA LEU 59 HA LEU 59 15.490 -0.732 -2.681 425 1HB LEU 59 HB2 LEU 59 13.928 -0.973 -4.471 426 2HB LEU 59 HB3 LEU 59 13.873 0.779 -4.743 427 HG LEU 59 HG LEU 59 16.208 0.737 -5.584 428 1HD1 LEU 59 HD11 LEU 59 15.968 -2.302 -5.427 429 2HD1 LEU 59 HD12 LEU 59 17.299 -1.379 -6.152 430 3HD1 LEU 59 HD13 LEU 59 17.044 -1.318 -4.411 431 1HD2 LEU 59 HD21 LEU 59 14.341 -1.213 -6.994 432 2HD2 LEU 59 HD22 LEU 59 14.278 0.554 -7.110 433 3HD2 LEU 59 HD23 LEU 59 15.690 -0.317 -7.729 434 H ILE 60 H ILE 60 17.561 -0.082 -2.734 435 HA ILE 60 HA ILE 60 18.123 2.827 -2.611 436 HB ILE 60 HB ILE 60 19.509 0.468 -1.302 437 1HG1 ILE 60 HG12 ILE 60 17.666 2.388 0.153 438 2HG1 ILE 60 HG13 ILE 60 17.174 0.798 -0.410 439 1HG2 ILE 60 HG21 ILE 60 19.776 3.462 -0.733 440 2HG2 ILE 60 HG22 ILE 60 20.692 2.166 0.063 441 3HG2 ILE 60 HG23 ILE 60 20.956 2.511 -1.638 442 1HD1 ILE 60 HD11 ILE 60 18.918 -0.276 0.910 443 2HD1 ILE 60 HD12 ILE 60 19.351 1.304 1.621 444 3HD1 ILE 60 HD13 ILE 60 17.740 0.623 1.886 445 H VAL 61 H VAL 61 20.004 3.575 -3.829 446 HA VAL 61 HA VAL 61 21.348 1.554 -5.545 447 HB VAL 61 HB VAL 61 19.999 4.047 -6.644 448 1HG1 VAL 61 HG11 VAL 61 20.565 2.980 -8.866 449 2HG1 VAL 61 HG12 VAL 61 21.976 3.480 -7.943 450 3HG1 VAL 61 HG13 VAL 61 21.514 1.766 -7.987 451 1HG2 VAL 61 HG21 VAL 61 18.230 2.457 -6.125 452 2HG2 VAL 61 HG22 VAL 61 18.483 2.479 -7.867 453 3HG2 VAL 61 HG23 VAL 61 19.134 1.141 -6.901 454 H ASP 62 H ASP 62 23.442 1.986 -5.968 455 HA ASP 62 HA ASP 62 24.718 4.574 -5.846 456 1HB ASP 62 HB2 ASP 62 24.416 3.970 -3.429 457 2HB ASP 62 HB3 ASP 62 25.381 2.524 -3.702 458 H ALA 63 H ALA 63 27.222 4.040 -6.050 459 HA ALA 63 HA ALA 63 27.644 1.845 -7.978 460 1HB ALA 63 HB1 ALA 63 29.575 3.874 -6.763 461 2HB ALA 63 HB2 ALA 63 29.946 2.721 -8.062 462 3HB ALA 63 HB3 ALA 63 28.774 4.021 -8.349 463 H THR 64 H THR 64 29.226 0.130 -7.491 464 HA THR 64 HA THR 64 30.164 -0.208 -4.735 465 HB THR 64 HB THR 64 28.426 -2.390 -5.971 466 HG1 THR 64 HG1 THR 64 27.643 -0.188 -4.444 467 1HG2 THR 64 HG21 THR 64 29.963 -3.095 -4.199 468 2HG2 THR 64 HG22 THR 64 29.353 -1.810 -3.129 469 3HG2 THR 64 HG23 THR 64 28.295 -3.147 -3.606 470 H ASP 65 H ASP 65 32.235 -1.111 -4.962 471 HA ASP 65 HA ASP 65 33.041 -2.132 -7.592 472 1HB ASP 65 HB2 ASP 65 34.706 -0.920 -6.311 473 2HB ASP 65 HB3 ASP 65 34.550 -2.062 -4.963 474 H MET 66 H MET 66 32.662 -4.108 -8.239 475 HA MET 66 HA MET 66 32.150 -6.306 -6.295 476 1HB MET 66 HB2 MET 66 30.889 -5.619 -9.000 477 2HB MET 66 HB3 MET 66 30.604 -7.128 -8.123 478 1HG MET 66 HG2 MET 66 29.728 -5.915 -6.194 479 2HG MET 66 HG3 MET 66 30.022 -4.371 -6.970 480 1HE MET 66 HE1 MET 66 27.378 -4.031 -9.693 481 2HE MET 66 HE2 MET 66 28.488 -3.185 -8.585 482 3HE MET 66 HE3 MET 66 29.130 -4.344 -9.763 483 H GLY 67 H GLY 67 34.501 -5.176 -8.367 484 1HA GLY 67 HA2 GLY 67 36.216 -6.139 -9.512 485 2HA GLY 67 HA3 GLY 67 35.807 -7.699 -8.777 486 H LEU 68 H LEU 68 33.428 -5.872 -10.642 487 HA LEU 68 HA LEU 68 33.336 -8.018 -12.710 488 1HB LEU 68 HB2 LEU 68 31.318 -5.889 -11.871 489 2HB LEU 68 HB3 LEU 68 31.066 -7.038 -13.179 490 HG LEU 68 HG LEU 68 31.427 -7.798 -10.275 491 1HD1 LEU 68 HD11 LEU 68 29.288 -6.635 -10.723 492 2HD1 LEU 68 HD12 LEU 68 28.939 -7.787 -12.026 493 3HD1 LEU 68 HD13 LEU 68 29.035 -8.344 -10.341 494 1HD2 LEU 68 HD21 LEU 68 32.212 -9.623 -11.694 495 2HD2 LEU 68 HD22 LEU 68 30.648 -10.045 -11.005 496 3HD2 LEU 68 HD23 LEU 68 30.744 -9.515 -12.697 497 H ASN 69 H ASN 69 32.165 -6.741 -14.713 498 HA ASN 69 HA ASN 69 34.265 -5.031 -15.889 499 1HB ASN 69 HB2 ASN 69 33.030 -6.757 -17.241 500 2HB ASN 69 HB3 ASN 69 31.542 -5.844 -17.010 501 1HD2 ASN 69 HD22 ASN 69 31.449 -3.549 -18.008 502 2HD2 ASN 69 HD21 ASN 69 32.455 -3.289 -19.400 503 HA PRO 70 HA PRO 70 32.372 -1.167 -14.438 504 1HB PRO 70 HB2 PRO 70 32.948 -0.357 -17.298 505 2HB PRO 70 HB3 PRO 70 33.125 0.611 -15.799 506 1HG PRO 70 HG2 PRO 70 35.297 -0.581 -16.867 507 2HG PRO 70 HG3 PRO 70 35.015 -0.716 -15.100 508 1HD PRO 70 HD2 PRO 70 34.454 -2.762 -17.242 509 2HD PRO 70 HD3 PRO 70 35.142 -2.990 -15.605 510 H GLY 71 H GLY 71 30.291 -0.439 -14.345 511 1HA GLY 71 HA2 GLY 71 28.159 0.069 -14.995 512 2HA GLY 71 HA3 GLY 71 28.545 -0.393 -16.657 513 H GLU 72 H GLU 72 29.362 -3.078 -14.698 514 HA GLU 72 HA GLU 72 26.945 -4.544 -15.347 515 1HB GLU 72 HB2 GLU 72 29.377 -5.082 -13.596 516 2HB GLU 72 HB3 GLU 72 27.991 -6.160 -13.581 517 1HG GLU 72 HG2 GLU 72 29.490 -5.427 -16.124 518 2HG GLU 72 HG3 GLU 72 29.846 -6.852 -15.148 519 H ILE 73 H ILE 73 25.345 -5.174 -13.904 520 HA ILE 73 HA ILE 73 24.940 -3.418 -11.532 521 HB ILE 73 HB ILE 73 22.931 -4.410 -13.612 522 1HG1 ILE 73 HG12 ILE 73 23.734 -1.518 -13.108 523 2HG1 ILE 73 HG13 ILE 73 24.479 -2.496 -14.362 524 1HG2 ILE 73 HG21 ILE 73 22.645 -2.750 -11.088 525 2HG2 ILE 73 HG22 ILE 73 21.370 -2.832 -12.326 526 3HG2 ILE 73 HG23 ILE 73 21.841 -4.286 -11.464 527 1HD1 ILE 73 HD11 ILE 73 22.745 -1.139 -15.342 528 2HD1 ILE 73 HD12 ILE 73 22.307 -2.850 -15.456 529 3HD1 ILE 73 HD13 ILE 73 21.524 -1.801 -14.252 530 H ARG 74 H ARG 74 24.257 -4.533 -9.648 531 HA ARG 74 HA ARG 74 23.202 -7.287 -9.948 532 1HB ARG 74 HB2 ARG 74 25.564 -6.610 -8.168 533 2HB ARG 74 HB3 ARG 74 24.654 -8.116 -8.132 534 1HG ARG 74 HG2 ARG 74 26.255 -7.160 -10.530 535 2HG ARG 74 HG3 ARG 74 26.838 -8.279 -9.297 536 1HD ARG 74 HD2 ARG 74 25.035 -9.872 -9.839 537 2HD ARG 74 HD3 ARG 74 24.428 -8.787 -11.090 538 HE ARG 74 HE ARG 74 26.740 -10.571 -11.201 539 1HH1 ARG 74 HH21 ARG 74 25.204 -7.730 -12.795 540 2HH1 ARG 74 HH22 ARG 74 26.223 -7.941 -14.226 541 1HH2 ARG 74 HH11 ARG 74 28.001 -10.691 -13.134 542 2HH2 ARG 74 HH12 ARG 74 27.709 -9.490 -14.402 543 H ILE 75 H ILE 75 21.856 -7.893 -8.244 544 HA ILE 75 HA ILE 75 21.047 -5.829 -6.269 545 HB ILE 75 HB ILE 75 20.252 -8.750 -6.681 546 1HG1 ILE 75 HG12 ILE 75 19.569 -7.363 -8.552 547 2HG1 ILE 75 HG13 ILE 75 18.198 -7.972 -7.662 548 1HG2 ILE 75 HG21 ILE 75 18.291 -8.250 -5.228 549 2HG2 ILE 75 HG22 ILE 75 19.828 -8.211 -4.366 550 3HG2 ILE 75 HG23 ILE 75 19.034 -6.687 -4.808 551 1HD1 ILE 75 HD11 ILE 75 17.885 -5.631 -8.379 552 2HD1 ILE 75 HD12 ILE 75 17.836 -5.768 -6.616 553 3HD1 ILE 75 HD13 ILE 75 19.301 -5.146 -7.433 554 H ILE 76 H ILE 76 21.682 -5.960 -4.005 555 HA ILE 76 HA ILE 76 23.605 -8.161 -3.365 556 HB ILE 76 HB ILE 76 24.094 -5.377 -2.351 557 1HG1 ILE 76 HG12 ILE 76 25.220 -6.575 -4.924 558 2HG1 ILE 76 HG13 ILE 76 24.241 -5.112 -4.768 559 1HG2 ILE 76 HG21 ILE 76 25.110 -7.354 -1.187 560 2HG2 ILE 76 HG22 ILE 76 25.913 -7.807 -2.694 561 3HG2 ILE 76 HG23 ILE 76 26.323 -6.290 -1.862 562 1HD1 ILE 76 HD11 ILE 76 26.460 -4.367 -5.076 563 2HD1 ILE 76 HD12 ILE 76 26.113 -4.124 -3.346 564 3HD1 ILE 76 HD13 ILE 76 27.113 -5.491 -3.877 565 H ASP 77 H ASP 77 23.364 -9.069 -1.398 566 HA ASP 77 HA ASP 77 20.979 -8.459 0.173 567 1HB ASP 77 HB2 ASP 77 21.667 -10.778 -0.339 568 2HB ASP 77 HB3 ASP 77 23.190 -10.527 0.517 569 HA PRO 78 HA PRO 78 23.019 -5.706 3.049 570 1HB PRO 78 HB2 PRO 78 21.475 -7.277 5.114 571 2HB PRO 78 HB3 PRO 78 21.731 -5.504 5.014 572 1HG PRO 78 HG2 PRO 78 19.426 -6.548 4.088 573 2HG PRO 78 HG3 PRO 78 20.306 -5.339 3.093 574 1HD PRO 78 HD2 PRO 78 20.257 -8.327 2.770 575 2HD PRO 78 HD3 PRO 78 20.158 -7.040 1.530 576 H ASP 79 H ASP 79 23.183 -9.200 3.774 577 HA ASP 79 HA ASP 79 25.227 -8.978 5.801 578 1HB ASP 79 HB2 ASP 79 23.785 -10.963 5.553 579 2HB ASP 79 HB3 ASP 79 24.497 -11.292 3.967 580 H ASP 80 H ASP 80 25.289 -8.892 2.300 581 HA ASP 80 HA ASP 80 28.219 -9.389 2.205 582 1HB ASP 80 HB2 ASP 80 26.657 -10.722 0.771 583 2HB ASP 80 HB3 ASP 80 26.179 -9.233 -0.040 584 H ILE 81 H ILE 81 25.754 -6.931 1.621 585 HA ILE 81 HA ILE 81 27.204 -4.846 0.424 586 HB ILE 81 HB ILE 81 25.005 -4.991 2.489 587 1HG1 ILE 81 HG12 ILE 81 25.155 -4.068 -0.411 588 2HG1 ILE 81 HG13 ILE 81 24.511 -5.594 0.184 589 1HG2 ILE 81 HG21 ILE 81 24.576 -2.609 2.456 590 2HG2 ILE 81 HG22 ILE 81 26.182 -2.900 3.095 591 3HG2 ILE 81 HG23 ILE 81 25.993 -2.331 1.439 592 1HD1 ILE 81 HD11 ILE 81 23.308 -2.848 0.462 593 2HD1 ILE 81 HD12 ILE 81 22.633 -4.335 -0.246 594 3HD1 ILE 81 HD13 ILE 81 22.798 -4.205 1.502 595 H ALA 82 H ALA 82 27.219 -5.916 3.789 596 HA ALA 82 HA ALA 82 28.613 -3.884 5.022 597 1HB ALA 82 HB1 ALA 82 28.833 -6.880 5.536 598 2HB ALA 82 HB2 ALA 82 29.199 -5.594 6.706 599 3HB ALA 82 HB3 ALA 82 27.529 -5.828 6.145 600 H GLU 83 H GLU 83 29.966 -6.251 2.799 601 HA GLU 83 HA GLU 83 32.702 -5.180 3.377 602 1HB GLU 83 HB2 GLU 83 31.881 -7.885 2.257 603 2HB GLU 83 HB3 GLU 83 33.537 -7.266 2.307 604 1HG GLU 83 HG2 GLU 83 33.379 -7.076 4.793 605 2HG GLU 83 HG3 GLU 83 31.762 -7.780 4.734 606 H MET 84 H MET 84 30.293 -5.993 0.876 607 HA MET 84 HA MET 84 32.060 -5.408 -1.281 608 1HB MET 84 HB2 MET 84 29.030 -5.572 -1.133 609 2HB MET 84 HB3 MET 84 29.888 -5.227 -2.640 610 1HG MET 84 HG2 MET 84 30.379 -7.685 -0.923 611 2HG MET 84 HG3 MET 84 29.352 -7.625 -2.349 612 1HE MET 84 HE1 MET 84 31.680 -9.747 -1.928 613 2HE MET 84 HE2 MET 84 30.606 -9.694 -3.344 614 3HE MET 84 HE3 MET 84 32.370 -9.785 -3.567 615 H PHE 85 H PHE 85 29.976 -3.205 0.600 616 HA PHE 85 HA PHE 85 30.321 -1.002 -1.236 617 1HB PHE 85 HB2 PHE 85 29.504 -1.285 1.651 618 2HB PHE 85 HB3 PHE 85 30.059 0.275 1.068 619 HD1 PHE 85 HD1 PHE 85 27.877 -2.422 -0.497 620 HD2 PHE 85 HD2 PHE 85 28.299 1.717 0.680 621 HE1 PHE 85 HE1 PHE 85 25.613 -1.932 -1.346 622 HE2 PHE 85 HE2 PHE 85 26.042 2.192 -0.224 623 HZ PHE 85 HZ PHE 85 24.669 0.355 -1.137 624 H MET 86 H MET 86 32.185 -1.996 1.690 625 HA MET 86 HA MET 86 34.091 0.133 1.091 626 1HB MET 86 HB2 MET 86 35.229 -0.419 3.118 627 2HB MET 86 HB3 MET 86 33.526 -0.121 3.347 628 1HG MET 86 HG2 MET 86 34.105 -1.881 4.793 629 2HG MET 86 HG3 MET 86 33.095 -2.573 3.534 630 1HE MET 86 HE1 MET 86 34.045 -4.713 5.042 631 2HE MET 86 HE2 MET 86 35.714 -5.313 4.906 632 3HE MET 86 HE3 MET 86 35.369 -3.837 5.833 633 H MET 87 H MET 87 33.741 -2.791 -0.368 634 HA MET 87 HA MET 87 36.419 -3.642 -0.720 635 1HB MET 87 HB2 MET 87 34.288 -4.779 -1.515 636 2HB MET 87 HB3 MET 87 34.200 -3.573 -2.806 637 1HG MET 87 HG2 MET 87 35.152 -5.597 -3.667 638 2HG MET 87 HG3 MET 87 36.396 -4.350 -3.653 639 1HE MET 87 HE1 MET 87 38.238 -6.181 -4.087 640 2HE MET 87 HE2 MET 87 38.431 -7.651 -3.107 641 3HE MET 87 HE3 MET 87 36.977 -7.436 -4.105 642 H THR 88 H THR 88 34.663 -0.822 -1.889 643 HA THR 88 HA THR 88 36.463 0.171 -3.867 644 HB THR 88 HB THR 88 35.356 2.343 -3.252 645 HG1 THR 88 HG1 THR 88 33.696 0.957 -1.446 646 1HG2 THR 88 HG21 THR 88 34.184 0.905 -4.852 647 2HG2 THR 88 HG22 THR 88 33.389 0.025 -3.526 648 3HG2 THR 88 HG23 THR 88 33.037 1.744 -3.797 649 H THR 89 H THR 89 36.954 -0.286 -0.492 650 HA THR 89 HA THR 89 38.256 0.476 1.096 651 HB THR 89 HB THR 89 40.106 1.755 -0.939 652 HG1 THR 89 HG1 THR 89 39.501 -0.366 -1.609 653 1HG2 THR 89 HG21 THR 89 40.613 0.265 1.684 654 2HG2 THR 89 HG22 THR 89 41.871 0.870 0.583 655 3HG2 THR 89 HG23 THR 89 40.814 2.008 1.417 656 H HIS 90 H HIS 90 35.999 2.138 -0.043 657 HA HIS 90 HA HIS 90 36.731 4.798 1.110 658 1HB HIS 90 HB2 HIS 90 35.575 4.126 -1.614 659 2HB HIS 90 HB3 HIS 90 35.409 5.715 -0.881 660 HD1 HIS 90 HD1 HIS 90 38.852 4.813 -0.077 661 HD2 HIS 90 HD2 HIS 90 36.717 6.040 -3.486 662 HE1 HIS 90 HE1 HIS 90 40.567 5.824 -1.672 663 H ASN 91 H ASN 91 33.998 2.965 -0.420 664 HA ASN 91 HA ASN 91 32.059 4.715 0.696 665 1HB ASN 91 HB2 ASN 91 31.955 3.103 -1.383 666 2HB ASN 91 HB3 ASN 91 31.384 1.914 -0.208 667 1HD2 ASN 91 HD22 ASN 91 29.752 2.674 -2.348 668 2HD2 ASN 91 HD21 ASN 91 28.435 3.676 -1.792 669 H MET 92 H MET 92 30.387 4.224 2.274 670 HA MET 92 HA MET 92 31.596 3.023 4.651 671 1HB MET 92 HB2 MET 92 28.912 4.417 4.222 672 2HB MET 92 HB3 MET 92 29.595 3.947 5.787 673 1HG MET 92 HG2 MET 92 31.552 5.401 5.388 674 2HG MET 92 HG3 MET 92 30.851 5.924 3.855 675 1HE MET 92 HE1 MET 92 31.891 7.944 6.035 676 2HE MET 92 HE2 MET 92 31.152 8.441 4.495 677 3HE MET 92 HE3 MET 92 30.586 9.150 6.023 678 HA PRO 93 HA PRO 93 29.502 -0.906 4.187 679 1HB PRO 93 HB2 PRO 93 29.573 -1.931 6.706 680 2HB PRO 93 HB3 PRO 93 31.045 -1.595 5.757 681 1HG PRO 93 HG2 PRO 93 29.757 0.209 7.832 682 2HG PRO 93 HG3 PRO 93 31.465 -0.335 7.748 683 1HD PRO 93 HD2 PRO 93 30.692 2.062 6.729 684 2HD PRO 93 HD3 PRO 93 31.917 1.062 5.894 685 H LEU 94 H LEU 94 27.689 0.795 3.742 686 HA LEU 94 HA LEU 94 25.746 1.597 5.404 687 1HB LEU 94 HB2 LEU 94 26.097 1.248 2.480 688 2HB LEU 94 HB3 LEU 94 24.432 1.514 2.973 689 HG LEU 94 HG LEU 94 26.691 3.296 3.975 690 1HD1 LEU 94 HD11 LEU 94 25.988 4.949 2.254 691 2HD1 LEU 94 HD12 LEU 94 26.725 3.501 1.569 692 3HD1 LEU 94 HD13 LEU 94 24.956 3.704 1.510 693 1HD2 LEU 94 HD21 LEU 94 24.535 3.372 5.249 694 2HD2 LEU 94 HD22 LEU 94 24.892 4.892 4.436 695 3HD2 LEU 94 HD23 LEU 94 23.682 3.779 3.748 696 H ASN 95 H ASN 95 25.928 -1.668 5.057 697 HA ASN 95 HA ASN 95 23.147 -2.388 5.078 698 1HB ASN 95 HB2 ASN 95 23.759 -4.443 5.841 699 2HB ASN 95 HB3 ASN 95 25.263 -3.972 5.066 700 1HD2 ASN 95 HD22 ASN 95 26.813 -2.636 6.873 701 2HD2 ASN 95 HD21 ASN 95 26.903 -3.520 8.367 702 H TYR 96 H TYR 96 25.235 -0.761 7.422 703 HA TYR 96 HA TYR 96 23.623 -1.079 9.728 704 1HB TYR 96 HB2 TYR 96 24.890 0.737 10.639 705 2HB TYR 96 HB3 TYR 96 25.962 -0.276 9.676 706 HD1 TYR 96 HD1 TYR 96 27.416 0.690 8.164 707 HD2 TYR 96 HD2 TYR 96 24.003 2.964 9.490 708 HE1 TYR 96 HE1 TYR 96 28.198 2.623 6.851 709 HE2 TYR 96 HE2 TYR 96 24.780 4.907 8.186 710 HH TYR 96 HH TYR 96 26.420 5.745 6.750 711 H LEU 97 H LEU 97 23.171 1.026 6.882 712 HA LEU 97 HA LEU 97 21.112 2.664 8.180 713 1HB LEU 97 HB2 LEU 97 22.382 3.610 6.378 714 2HB LEU 97 HB3 LEU 97 21.957 2.312 5.266 715 HG LEU 97 HG LEU 97 19.689 3.863 6.499 716 1HD1 LEU 97 HD11 LEU 97 21.329 5.615 5.854 717 2HD1 LEU 97 HD12 LEU 97 21.383 4.938 4.213 718 3HD1 LEU 97 HD13 LEU 97 19.880 5.655 4.842 719 1HD2 LEU 97 HD21 LEU 97 18.703 3.616 4.234 720 2HD2 LEU 97 HD22 LEU 97 20.180 2.809 3.670 721 3HD2 LEU 97 HD23 LEU 97 19.144 2.046 4.888 722 H ILE 98 H ILE 98 21.270 -0.134 5.926 723 HA ILE 98 HA ILE 98 18.484 -0.384 5.541 724 HB ILE 98 HB ILE 98 20.692 -2.485 5.477 725 1HG1 ILE 98 HG12 ILE 98 19.299 -0.953 3.236 726 2HG1 ILE 98 HG13 ILE 98 20.881 -0.530 3.884 727 1HG2 ILE 98 HG21 ILE 98 17.777 -2.665 4.611 728 2HG2 ILE 98 HG22 ILE 98 19.015 -3.789 4.042 729 3HG2 ILE 98 HG23 ILE 98 18.641 -3.704 5.754 730 1HD1 ILE 98 HD11 ILE 98 20.192 -3.023 2.308 731 2HD1 ILE 98 HD12 ILE 98 21.282 -1.704 1.875 732 3HD1 ILE 98 HD13 ILE 98 21.723 -2.804 3.196 733 H ASP 99 H ASP 99 20.602 -1.800 8.078 734 HA ASP 99 HA ASP 99 18.645 -3.319 9.381 735 1HB ASP 99 HB2 ASP 99 21.053 -3.482 9.824 736 2HB ASP 99 HB3 ASP 99 21.069 -1.850 10.497 737 H GLN 100 H GLN 100 18.968 0.164 9.338 738 HA GLN 100 HA GLN 100 17.336 0.526 11.779 739 1HB GLN 100 HB2 GLN 100 18.755 2.463 9.909 740 2HB GLN 100 HB3 GLN 100 17.694 2.989 11.211 741 1HG GLN 100 HG2 GLN 100 19.082 1.926 12.896 742 2HG GLN 100 HG3 GLN 100 20.109 1.192 11.668 743 1HE2 GLN 100 HE21 GLN 100 21.729 2.406 10.688 744 2HE2 GLN 100 HE22 GLN 100 22.118 4.061 11.157 745 H LEU 101 H LEU 101 16.641 -0.210 8.577 746 HA LEU 101 HA LEU 101 13.956 1.113 8.787 747 1HB LEU 101 HB2 LEU 101 15.706 0.604 6.339 748 2HB LEU 101 HB3 LEU 101 13.983 0.824 6.246 749 HG LEU 101 HG LEU 101 14.832 2.854 5.625 750 1HD1 LEU 101 HD11 LEU 101 12.983 3.069 7.292 751 2HD1 LEU 101 HD12 LEU 101 14.203 3.337 8.558 752 3HD1 LEU 101 HD13 LEU 101 14.050 4.483 7.216 753 1HD2 LEU 101 HD21 LEU 101 16.657 2.987 8.044 754 2HD2 LEU 101 HD22 LEU 101 17.145 2.583 6.387 755 3HD2 LEU 101 HD23 LEU 101 16.491 4.186 6.741 756 H LYS 102 H LYS 102 15.761 -1.807 7.862 757 HA LYS 102 HA LYS 102 13.647 -3.206 6.707 758 1HB LYS 102 HB2 LYS 102 15.030 -5.103 6.778 759 2HB LYS 102 HB3 LYS 102 16.149 -3.737 6.701 760 1HG LYS 102 HG2 LYS 102 16.490 -3.921 9.179 761 2HG LYS 102 HG3 LYS 102 15.431 -5.343 9.186 762 1HD LYS 102 HD2 LYS 102 16.946 -6.514 7.615 763 2HD LYS 102 HD3 LYS 102 18.000 -5.102 7.574 764 1HE LYS 102 HE2 LYS 102 18.966 -6.742 9.053 765 2HE LYS 102 HE3 LYS 102 18.464 -5.340 9.995 766 1HZ LYS 102 HZ1 LYS 102 17.868 -7.433 11.050 767 2HZ LYS 102 HZ2 LYS 102 16.526 -6.561 10.749 768 3HZ LYS 102 HZ3 LYS 102 16.911 -7.856 9.800 769 H GLU 103 H GLU 103 14.120 -2.589 10.087 770 HA GLU 103 HA GLU 103 12.618 -4.798 11.097 771 1HB GLU 103 HB2 GLU 103 13.316 -2.097 12.322 772 2HB GLU 103 HB3 GLU 103 12.646 -3.463 13.215 773 1HG GLU 103 HG2 GLU 103 15.342 -3.401 11.799 774 2HG GLU 103 HG3 GLU 103 15.076 -3.277 13.532 775 H ASP 104 H ASP 104 11.574 -1.961 9.416 776 HA ASP 104 HA ASP 104 8.778 -2.453 10.349 777 1HB ASP 104 HB2 ASP 104 9.708 -0.463 11.520 778 2HB ASP 104 HB3 ASP 104 10.012 0.293 9.951 779 H ILE 105 H ILE 105 10.944 -1.322 7.714 780 HA ILE 105 HA ILE 105 8.777 -0.990 5.838 781 HB ILE 105 HB ILE 105 11.782 -1.309 5.454 782 1HG1 ILE 105 HG12 ILE 105 9.889 1.068 5.586 783 2HG1 ILE 105 HG13 ILE 105 11.283 0.735 6.607 784 1HG2 ILE 105 HG21 ILE 105 9.658 -0.581 3.382 785 2HG2 ILE 105 HG22 ILE 105 11.409 -0.559 3.118 786 3HG2 ILE 105 HG23 ILE 105 10.620 -2.074 3.437 787 1HD1 ILE 105 HD11 ILE 105 11.968 2.475 5.176 788 2HD1 ILE 105 HD12 ILE 105 12.717 1.021 4.476 789 3HD1 ILE 105 HD13 ILE 105 11.263 1.718 3.746 790 H GLY 106 H GLY 106 7.970 -2.449 4.421 791 1HA GLY 106 HA2 GLY 106 7.833 -5.167 5.237 792 2HA GLY 106 HA3 GLY 106 7.169 -4.479 3.749 793 H GLU 107 H GLU 107 9.558 -3.618 2.424 794 HA GLU 107 HA GLU 107 11.400 -5.923 2.411 795 1HB GLU 107 HB2 GLU 107 9.608 -6.402 0.724 796 2HB GLU 107 HB3 GLU 107 9.930 -4.844 -0.045 797 1HG GLU 107 HG2 GLU 107 10.989 -6.620 -1.309 798 2HG GLU 107 HG3 GLU 107 12.220 -5.583 -0.610 799 H VAL 108 H VAL 108 13.513 -5.291 1.929 800 HA VAL 108 HA VAL 108 13.944 -2.523 0.991 801 HB VAL 108 HB VAL 108 15.500 -3.775 3.278 802 1HG1 VAL 108 HG11 VAL 108 16.897 -2.265 2.003 803 2HG1 VAL 108 HG12 VAL 108 15.594 -1.073 1.862 804 3HG1 VAL 108 HG13 VAL 108 16.367 -1.361 3.430 805 1HG2 VAL 108 HG21 VAL 108 13.276 -3.178 4.095 806 2HG2 VAL 108 HG22 VAL 108 14.490 -2.053 4.717 807 3HG2 VAL 108 HG23 VAL 108 13.434 -1.558 3.380 808 H ILE 109 H ILE 109 15.336 -2.491 -0.675 809 HA ILE 109 HA ILE 109 17.016 -4.893 -1.274 810 HB ILE 109 HB ILE 109 15.482 -3.182 -3.256 811 1HG1 ILE 109 HG12 ILE 109 14.372 -5.829 -3.317 812 2HG1 ILE 109 HG13 ILE 109 14.321 -5.321 -1.651 813 1HG2 ILE 109 HG21 ILE 109 16.890 -5.856 -3.625 814 2HG2 ILE 109 HG22 ILE 109 15.900 -5.048 -4.858 815 3HG2 ILE 109 HG23 ILE 109 17.380 -4.285 -4.310 816 1HD1 ILE 109 HD11 ILE 109 12.289 -4.673 -2.967 817 2HD1 ILE 109 HD12 ILE 109 13.110 -3.267 -2.275 818 3HD1 ILE 109 HD13 ILE 109 13.312 -3.648 -4.003 819 H PHE 110 H PHE 110 18.941 -4.349 -2.518 820 HA PHE 110 HA PHE 110 19.465 -1.493 -2.982 821 1HB PHE 110 HB2 PHE 110 20.724 -1.917 -0.944 822 2HB PHE 110 HB3 PHE 110 21.340 -3.426 -1.630 823 HD1 PHE 110 HD1 PHE 110 21.428 0.293 -2.085 824 HD2 PHE 110 HD2 PHE 110 23.297 -3.456 -3.020 825 HE1 PHE 110 HE1 PHE 110 23.210 1.501 -3.269 826 HE2 PHE 110 HE2 PHE 110 25.137 -2.233 -4.156 827 HZ PHE 110 HZ PHE 110 25.077 0.232 -4.329 828 H LEU 111 H LEU 111 20.566 -1.160 -4.864 829 HA LEU 111 HA LEU 111 21.374 -3.501 -6.514 830 1HB LEU 111 HB2 LEU 111 19.229 -2.656 -7.236 831 2HB LEU 111 HB3 LEU 111 19.811 -0.993 -7.254 832 HG LEU 111 HG LEU 111 21.211 -3.052 -8.962 833 1HD1 LEU 111 HD11 LEU 111 18.589 -1.657 -9.674 834 2HD1 LEU 111 HD12 LEU 111 19.594 -2.608 -10.789 835 3HD1 LEU 111 HD13 LEU 111 18.823 -3.402 -9.415 836 1HD2 LEU 111 HD21 LEU 111 22.206 -0.806 -8.981 837 2HD2 LEU 111 HD22 LEU 111 21.397 -1.053 -10.510 838 3HD2 LEU 111 HD23 LEU 111 20.616 -0.065 -9.271 839 H GLY 112 H GLY 112 23.467 -3.358 -7.051 840 1HA GLY 112 HA2 GLY 112 24.929 -0.794 -6.609 841 2HA GLY 112 HA3 GLY 112 25.602 -2.410 -6.403 842 H ILE 113 H ILE 113 26.603 -0.302 -8.086 843 HA ILE 113 HA ILE 113 26.430 -1.543 -10.791 844 HB ILE 113 HB ILE 113 26.452 1.411 -10.039 845 1HG1 ILE 113 HG12 ILE 113 24.260 -0.054 -11.563 846 2HG1 ILE 113 HG13 ILE 113 24.207 0.150 -9.818 847 1HG2 ILE 113 HG21 ILE 113 27.787 1.023 -12.070 848 2HG2 ILE 113 HG22 ILE 113 26.462 0.091 -12.793 849 3HG2 ILE 113 HG23 ILE 113 26.293 1.837 -12.493 850 1HD1 ILE 113 HD11 ILE 113 24.255 2.433 -11.804 851 2HD1 ILE 113 HD12 ILE 113 22.884 1.869 -10.832 852 3HD1 ILE 113 HD13 ILE 113 24.297 2.564 -10.023 853 H GLN 114 H GLN 114 28.470 -2.156 -11.441 854 HA GLN 114 HA GLN 114 30.787 -1.769 -9.883 855 1HB GLN 114 HB2 GLN 114 30.494 -3.629 -11.432 856 2HB GLN 114 HB3 GLN 114 30.430 -2.525 -12.801 857 1HG GLN 114 HG2 GLN 114 32.607 -3.574 -12.691 858 2HG GLN 114 HG3 GLN 114 32.795 -1.862 -12.399 859 1HE2 GLN 114 HE22 GLN 114 34.233 -1.430 -10.715 860 2HE2 GLN 114 HE21 GLN 114 34.567 -2.569 -9.393 861 HA PRO 115 HA PRO 115 31.876 2.345 -11.642 862 1HB PRO 115 HB2 PRO 115 33.650 3.161 -9.786 863 2HB PRO 115 HB3 PRO 115 31.902 3.102 -9.416 864 1HG PRO 115 HG2 PRO 115 34.015 1.016 -8.756 865 2HG PRO 115 HG3 PRO 115 32.802 1.744 -7.653 866 1HD PRO 115 HD2 PRO 115 32.400 -0.648 -8.934 867 2HD PRO 115 HD3 PRO 115 31.071 0.482 -8.566 868 H ASP 116 H ASP 116 33.961 3.269 -12.296 869 HA ASP 116 HA ASP 116 36.281 1.421 -12.606 870 1HB ASP 116 HB2 ASP 116 34.997 1.535 -14.735 871 2HB ASP 116 HB3 ASP 116 35.109 3.294 -14.703 872 H ILE 117 H ILE 117 34.965 4.735 -12.285 873 HA ILE 117 HA ILE 117 37.673 5.774 -11.670 874 HB ILE 117 HB ILE 117 36.277 6.204 -13.985 875 1HG1 ILE 117 HG12 ILE 117 38.606 6.724 -13.599 876 2HG1 ILE 117 HG13 ILE 117 37.731 7.932 -14.536 877 1HG2 ILE 117 HG21 ILE 117 35.426 8.546 -12.261 878 2HG2 ILE 117 HG22 ILE 117 35.468 8.557 -14.016 879 3HG2 ILE 117 HG23 ILE 117 34.410 7.409 -13.185 880 1HD1 ILE 117 HD11 ILE 117 38.406 8.181 -11.571 881 2HD1 ILE 117 HD12 ILE 117 39.280 8.968 -12.902 882 3HD1 ILE 117 HD13 ILE 117 37.593 9.410 -12.575 883 H VAL 118 H VAL 118 37.702 6.533 -9.571 884 HA VAL 118 HA VAL 118 35.274 7.798 -8.479 885 HB VAL 118 HB VAL 118 36.737 5.501 -7.118 886 1HG1 VAL 118 HG11 VAL 118 36.030 7.194 -5.475 887 2HG1 VAL 118 HG12 VAL 118 34.396 7.212 -6.165 888 3HG1 VAL 118 HG13 VAL 118 35.003 5.763 -5.337 889 1HG2 VAL 118 HG21 VAL 118 33.877 5.628 -8.171 890 2HG2 VAL 118 HG22 VAL 118 35.188 4.595 -8.785 891 3HG2 VAL 118 HG23 VAL 118 34.543 4.322 -7.168 892 H GLY 119 H GLY 119 35.833 9.580 -7.388 893 1HA GLY 119 HA2 GLY 119 37.759 10.215 -5.627 894 2HA GLY 119 HA3 GLY 119 38.643 10.389 -7.156 895 H PHE 120 H PHE 120 37.919 12.582 -5.340 896 HA PHE 120 HA PHE 120 35.485 13.809 -6.164 897 1HB PHE 120 HB2 PHE 120 37.906 14.929 -4.708 898 2HB PHE 120 HB3 PHE 120 36.393 15.794 -4.938 899 HD1 PHE 120 HD1 PHE 120 38.138 13.479 -2.803 900 HD2 PHE 120 HD2 PHE 120 34.195 14.684 -4.091 901 HE1 PHE 120 HE1 PHE 120 37.149 12.409 -0.797 902 HE2 PHE 120 HE2 PHE 120 33.217 13.609 -2.082 903 HZ PHE 120 HZ PHE 120 34.688 12.470 -0.432 904 H TYR 121 H TYR 121 35.085 15.516 -7.351 905 HA TYR 121 HA TYR 121 34.967 16.721 -9.174 906 1HB TYR 121 HB2 TYR 121 36.661 18.054 -7.815 907 2HB TYR 121 HB3 TYR 121 37.902 17.414 -8.878 908 HD1 TYR 121 HD1 TYR 121 34.606 19.242 -8.908 909 HD2 TYR 121 HD2 TYR 121 38.388 18.615 -10.891 910 HE1 TYR 121 HE1 TYR 121 34.083 21.083 -10.480 911 HE2 TYR 121 HE2 TYR 121 37.881 20.456 -12.460 912 HH TYR 121 HH TYR 121 36.340 22.085 -13.098 913 H TYR 122 H TYR 122 35.174 14.030 -9.618 914 HA TYR 122 HA TYR 122 36.495 13.981 -12.298 915 1HB TYR 122 HB2 TYR 122 35.845 11.626 -10.498 916 2HB TYR 122 HB3 TYR 122 36.389 11.510 -12.155 917 HD1 TYR 122 HD1 TYR 122 37.623 9.993 -10.037 918 HD2 TYR 122 HD2 TYR 122 38.586 13.940 -11.490 919 HE1 TYR 122 HE1 TYR 122 39.961 9.706 -9.267 920 HE2 TYR 122 HE2 TYR 122 40.905 13.669 -10.726 921 HH TYR 122 HH TYR 122 42.453 12.269 -9.682 922 HA PRO 123 HA PRO 123 32.175 13.467 -13.537 923 1HB PRO 123 HB2 PRO 123 32.475 12.776 -16.148 924 2HB PRO 123 HB3 PRO 123 32.842 14.428 -15.560 925 1HG PRO 123 HG2 PRO 123 34.780 12.140 -16.027 926 2HG PRO 123 HG3 PRO 123 34.921 13.840 -16.586 927 1HD PRO 123 HD2 PRO 123 36.145 12.912 -14.311 928 2HD PRO 123 HD3 PRO 123 35.531 14.588 -14.443 929 H MET 124 H MET 124 30.763 11.694 -14.187 930 HA MET 124 HA MET 124 31.654 9.000 -13.466 931 1HB MET 124 HB2 MET 124 29.419 9.852 -12.872 932 2HB MET 124 HB3 MET 124 29.060 10.194 -14.568 933 1HG MET 124 HG2 MET 124 29.222 7.744 -15.051 934 2HG MET 124 HG3 MET 124 29.424 7.438 -13.338 935 1HE MET 124 HE1 MET 124 27.397 9.543 -11.956 936 2HE MET 124 HE2 MET 124 25.948 8.537 -11.872 937 3HE MET 124 HE3 MET 124 27.537 7.824 -11.504 938 H THR 125 H THR 125 31.944 7.348 -14.961 939 HA THR 125 HA THR 125 32.691 8.153 -17.685 940 HB THR 125 HB THR 125 33.439 5.751 -17.815 941 HG1 THR 125 HG1 THR 125 32.673 5.739 -15.062 942 1HG2 THR 125 HG21 THR 125 35.092 7.378 -17.328 943 2HG2 THR 125 HG22 THR 125 34.588 7.481 -15.639 944 3HG2 THR 125 HG23 THR 125 35.359 5.999 -16.245 945 H GLN 126 H GLN 126 31.936 6.987 -19.584 946 HA GLN 126 HA GLN 126 29.218 7.054 -19.908 947 1HB GLN 126 HB2 GLN 126 30.872 7.237 -21.691 948 2HB GLN 126 HB3 GLN 126 31.321 5.543 -21.496 949 1HG GLN 126 HG2 GLN 126 29.927 5.809 -23.439 950 2HG GLN 126 HG3 GLN 126 29.078 4.840 -22.247 951 1HE2 GLN 126 HE22 GLN 126 27.227 5.829 -21.098 952 2HE2 GLN 126 HE21 GLN 126 26.407 7.209 -21.807 953 HA PRO 127 HA PRO 127 28.692 2.381 -19.633 954 1HB PRO 127 HB2 PRO 127 30.233 0.815 -17.967 955 2HB PRO 127 HB3 PRO 127 30.549 1.081 -19.706 956 1HG PRO 127 HG2 PRO 127 31.840 2.429 -17.342 957 2HG PRO 127 HG3 PRO 127 32.601 1.853 -18.853 958 1HD PRO 127 HD2 PRO 127 31.930 4.453 -18.357 959 2HD PRO 127 HD3 PRO 127 31.941 3.776 -20.012 960 H ILE 128 H ILE 128 29.740 4.162 -16.696 961 HA ILE 128 HA ILE 128 27.698 2.816 -15.083 962 HB ILE 128 HB ILE 128 29.612 5.086 -14.486 963 1HG1 ILE 128 HG12 ILE 128 30.467 3.474 -12.799 964 2HG1 ILE 128 HG13 ILE 128 29.314 2.265 -13.325 965 1HG2 ILE 128 HG21 ILE 128 27.610 3.809 -12.554 966 2HG2 ILE 128 HG22 ILE 128 28.817 5.050 -12.166 967 3HG2 ILE 128 HG23 ILE 128 27.463 5.439 -13.212 968 1HD1 ILE 128 HD11 ILE 128 31.724 1.993 -14.094 969 2HD1 ILE 128 HD12 ILE 128 30.493 1.895 -15.359 970 3HD1 ILE 128 HD13 ILE 128 31.453 3.382 -15.150 971 H LYS 129 H LYS 129 28.068 5.898 -16.856 972 HA LYS 129 HA LYS 129 25.512 6.992 -16.188 973 1HB LYS 129 HB2 LYS 129 27.092 7.154 -18.795 974 2HB LYS 129 HB3 LYS 129 25.579 8.015 -18.513 975 1HG LYS 129 HG2 LYS 129 26.571 9.227 -16.623 976 2HG LYS 129 HG3 LYS 129 28.110 8.381 -16.874 977 1HD LYS 129 HD2 LYS 129 28.316 9.349 -19.125 978 2HD LYS 129 HD3 LYS 129 26.740 10.156 -18.940 979 1HE LYS 129 HE2 LYS 129 27.609 11.417 -16.996 980 2HE LYS 129 HE3 LYS 129 29.174 10.610 -17.162 981 1HZ LYS 129 HZ1 LYS 129 29.185 12.802 -18.187 982 2HZ LYS 129 HZ2 LYS 129 29.423 11.668 -19.331 983 3HZ LYS 129 HZ3 LYS 129 27.969 12.405 -19.193 984 H ASP 130 H ASP 130 26.427 4.647 -18.745 985 HA ASP 130 HA ASP 130 23.799 4.282 -19.773 986 1HB ASP 130 HB2 ASP 130 25.802 3.620 -21.005 987 2HB ASP 130 HB3 ASP 130 26.202 2.424 -19.772 988 H ALA 131 H ALA 131 25.560 2.608 -17.155 989 HA ALA 131 HA ALA 131 23.551 0.662 -16.624 990 1HB ALA 131 HB1 ALA 131 25.854 0.537 -15.741 991 2HB ALA 131 HB2 ALA 131 25.533 1.935 -14.695 992 3HB ALA 131 HB3 ALA 131 24.644 0.422 -14.446 993 H VAL 132 H VAL 132 24.072 3.959 -15.188 994 HA VAL 132 HA VAL 132 21.808 3.826 -13.470 995 HB VAL 132 HB VAL 132 23.370 6.157 -14.649 996 1HG1 VAL 132 HG11 VAL 132 21.241 7.126 -14.123 997 2HG1 VAL 132 HG12 VAL 132 21.089 6.160 -12.645 998 3HG1 VAL 132 HG13 VAL 132 22.276 7.469 -12.728 999 1HG2 VAL 132 HG21 VAL 132 24.573 4.680 -13.000 1000 2HG2 VAL 132 HG22 VAL 132 24.323 6.323 -12.404 1001 3HG2 VAL 132 HG23 VAL 132 23.288 5.003 -11.820 1002 H GLU 133 H GLU 133 22.119 4.945 -16.897 1003 HA GLU 133 HA GLU 133 19.407 5.754 -17.203 1004 1HB GLU 133 HB2 GLU 133 21.152 6.312 -18.821 1005 2HB GLU 133 HB3 GLU 133 21.428 4.614 -19.173 1006 1HG GLU 133 HG2 GLU 133 20.175 5.641 -20.966 1007 2HG GLU 133 HG3 GLU 133 19.219 4.390 -20.190 1008 H THR 134 H THR 134 20.970 2.524 -17.554 1009 HA THR 134 HA THR 134 18.639 1.162 -18.447 1010 HB THR 134 HB THR 134 21.002 0.078 -16.848 1011 HG1 THR 134 HG1 THR 134 21.687 1.095 -18.727 1012 1HG2 THR 134 HG21 THR 134 19.024 -1.330 -18.692 1013 2HG2 THR 134 HG22 THR 134 20.490 -2.059 -17.993 1014 3HG2 THR 134 HG23 THR 134 19.168 -1.551 -16.935 1015 H VAL 135 H VAL 135 19.943 1.637 -15.091 1016 HA VAL 135 HA VAL 135 17.848 0.235 -13.777 1017 HB VAL 135 HB VAL 135 19.654 2.509 -12.849 1018 1HG1 VAL 135 HG11 VAL 135 19.129 1.746 -10.530 1019 2HG1 VAL 135 HG12 VAL 135 17.719 2.440 -11.336 1020 3HG1 VAL 135 HG13 VAL 135 17.868 0.677 -11.182 1021 1HG2 VAL 135 HG21 VAL 135 19.795 -0.492 -12.308 1022 2HG2 VAL 135 HG22 VAL 135 20.787 0.346 -13.507 1023 3HG2 VAL 135 HG23 VAL 135 20.965 0.758 -11.809 1024 H TYR 136 H TYR 136 18.156 3.726 -14.637 1025 HA TYR 136 HA TYR 136 15.761 4.651 -13.518 1026 1HB TYR 136 HB2 TYR 136 17.329 6.229 -14.319 1027 2HB TYR 136 HB3 TYR 136 17.459 5.457 -15.877 1028 HD1 TYR 136 HD1 TYR 136 14.744 7.075 -13.791 1029 HD2 TYR 136 HD2 TYR 136 16.540 6.530 -17.681 1030 HE1 TYR 136 HE1 TYR 136 13.115 8.667 -14.773 1031 HE2 TYR 136 HE2 TYR 136 14.930 8.114 -18.659 1032 HH TYR 136 HH TYR 136 13.090 9.464 -18.287 1033 H GLN 137 H GLN 137 16.257 3.283 -16.863 1034 HA GLN 137 HA GLN 137 13.428 3.447 -17.408 1035 1HB GLN 137 HB2 GLN 137 15.560 1.743 -18.747 1036 2HB GLN 137 HB3 GLN 137 13.940 2.035 -19.377 1037 1HG GLN 137 HG2 GLN 137 16.087 4.159 -18.974 1038 2HG GLN 137 HG3 GLN 137 15.660 3.404 -20.493 1039 1HE2 GLN 137 HE22 GLN 137 15.678 6.039 -20.525 1040 2HE2 GLN 137 HE21 GLN 137 14.035 6.679 -20.589 1041 H ARG 138 H ARG 138 15.383 0.998 -15.772 1042 HA ARG 138 HA ARG 138 13.414 -1.092 -16.041 1043 1HB ARG 138 HB2 ARG 138 16.001 -1.199 -15.433 1044 2HB ARG 138 HB3 ARG 138 15.438 -0.951 -13.785 1045 1HG ARG 138 HG2 ARG 138 15.714 -3.283 -14.118 1046 2HG ARG 138 HG3 ARG 138 13.970 -3.029 -14.094 1047 1HD ARG 138 HD2 ARG 138 13.846 -3.248 -16.506 1048 2HD ARG 138 HD3 ARG 138 15.614 -3.143 -16.665 1049 HE ARG 138 HE ARG 138 15.171 -5.327 -15.002 1050 1HH1 ARG 138 HH11 ARG 138 14.357 -4.507 -18.373 1051 2HH1 ARG 138 HH12 ARG 138 14.323 -6.151 -18.889 1052 1HH2 ARG 138 HH21 ARG 138 15.082 -7.404 -15.633 1053 2HH2 ARG 138 HH22 ARG 138 14.769 -7.883 -17.281 1054 H LEU 139 H LEU 139 13.722 1.620 -13.817 1055 HA LEU 139 HA LEU 139 12.468 0.520 -11.581 1056 1HB LEU 139 HB2 LEU 139 12.623 3.347 -12.643 1057 2HB LEU 139 HB3 LEU 139 11.742 3.008 -11.166 1058 HG LEU 139 HG LEU 139 14.687 2.374 -11.537 1059 1HD1 LEU 139 HD11 LEU 139 15.030 4.357 -10.088 1060 2HD1 LEU 139 HD12 LEU 139 14.252 4.786 -11.622 1061 3HD1 LEU 139 HD13 LEU 139 13.286 4.689 -10.137 1062 1HD2 LEU 139 HD21 LEU 139 13.610 0.967 -9.780 1063 2HD2 LEU 139 HD22 LEU 139 14.747 2.137 -9.108 1064 3HD2 LEU 139 HD23 LEU 139 13.007 2.446 -8.999 1065 H GLU 140 H GLU 140 10.838 1.410 -14.570 1066 HA GLU 140 HA GLU 140 8.212 1.405 -13.207 1067 1HB GLU 140 HB2 GLU 140 7.279 1.961 -15.380 1068 2HB GLU 140 HB3 GLU 140 8.582 3.061 -14.952 1069 1HG GLU 140 HG2 GLU 140 10.130 1.856 -16.431 1070 2HG GLU 140 HG3 GLU 140 8.883 0.676 -16.841 1071 H GLY 141 H GLY 141 10.296 -1.004 -14.160 1072 1HA GLY 141 HA2 GLY 141 8.085 -2.923 -14.750 1073 2HA GLY 141 HA3 GLY 141 9.542 -2.822 -15.752 1074 H TRP 142 H TRP 142 10.441 -2.233 -12.549 1075 HA TRP 142 HA TRP 142 11.688 -4.731 -12.047 1076 1HB TRP 142 HB2 TRP 142 12.391 -2.599 -11.077 1077 2HB TRP 142 HB3 TRP 142 10.843 -2.436 -10.251 1078 HD1 TRP 142 HD1 TRP 142 14.291 -3.545 -9.772 1079 HE1 TRP 142 HE1 TRP 142 14.635 -4.428 -7.404 1080 HE3 TRP 142 HE3 TRP 142 9.384 -4.240 -8.401 1081 HZ2 TRP 142 HZ2 TRP 142 13.079 -5.500 -5.319 1082 HZ3 TRP 142 HZ3 TRP 142 8.868 -5.308 -6.231 1083 HH2 TRP 142 HH2 TRP 142 10.691 -5.903 -4.648 1084 H GLU 143 H GLU 143 10.943 -6.505 -10.961 1085 HA GLU 143 HA GLU 143 8.128 -6.582 -10.009 1086 1HB GLU 143 HB2 GLU 143 8.541 -7.095 -12.538 1087 2HB GLU 143 HB3 GLU 143 9.223 -8.620 -11.978 1088 1HG GLU 143 HG2 GLU 143 7.018 -9.128 -10.861 1089 2HG GLU 143 HG3 GLU 143 6.411 -7.563 -11.393 1090 H GLY 144 H GLY 144 10.778 -6.747 -8.613 1091 1HA GLY 144 HA2 GLY 144 10.389 -8.041 -6.488 1092 2HA GLY 144 HA3 GLY 144 10.671 -9.498 -7.463 1093 H ASN 145 H ASN 145 12.774 -8.440 -9.103 1094 HA ASN 145 HA ASN 145 14.815 -7.278 -7.360 1095 1HB ASN 145 HB2 ASN 145 16.273 -9.004 -7.228 1096 2HB ASN 145 HB3 ASN 145 14.799 -9.934 -7.164 1097 1HD2 ASN 145 HD22 ASN 145 17.649 -10.507 -8.153 1098 2HD2 ASN 145 HD21 ASN 145 17.509 -10.961 -9.829 1099 H GLY 146 H GLY 146 13.256 -6.742 -9.932 1100 1HA GLY 146 HA2 GLY 146 13.583 -5.699 -11.931 1101 2HA GLY 146 HA3 GLY 146 15.262 -5.459 -11.458 1102 H GLY 147 H GLY 147 14.703 -8.826 -11.440 1103 1HA GLY 147 HA2 GLY 147 15.306 -10.491 -12.871 1104 2HA GLY 147 HA3 GLY 147 15.112 -9.400 -14.253 1105 H PHE 148 H PHE 148 17.138 -8.075 -11.764 1106 HA PHE 148 HA PHE 148 19.591 -8.371 -13.296 1107 1HB PHE 148 HB2 PHE 148 18.898 -7.231 -10.582 1108 2HB PHE 148 HB3 PHE 148 20.524 -7.208 -11.263 1109 HD1 PHE 148 HD1 PHE 148 20.716 -6.185 -13.709 1110 HD2 PHE 148 HD2 PHE 148 17.488 -5.354 -10.962 1111 HE1 PHE 148 HE1 PHE 148 20.197 -4.092 -14.940 1112 HE2 PHE 148 HE2 PHE 148 17.022 -3.239 -12.155 1113 HZ PHE 148 HZ PHE 148 18.363 -2.604 -14.156 1114 H ALA 149 H ALA 149 21.522 -9.215 -12.032 1115 HA ALA 149 HA ALA 149 20.876 -11.887 -10.878 1116 1HB ALA 149 HB1 ALA 149 22.509 -11.953 -12.679 1117 2HB ALA 149 HB2 ALA 149 23.487 -10.693 -11.909 1118 3HB ALA 149 HB3 ALA 149 23.332 -12.288 -11.143 1119 H GLN 150 H GLN 150 21.593 -12.424 -8.834 1120 HA GLN 150 HA GLN 150 21.971 -10.166 -6.995 1121 1HB GLN 150 HB2 GLN 150 20.188 -12.059 -6.834 1122 2HB GLN 150 HB3 GLN 150 21.497 -13.082 -6.252 1123 1HG GLN 150 HG2 GLN 150 20.679 -10.409 -5.023 1124 2HG GLN 150 HG3 GLN 150 20.037 -11.964 -4.502 1125 1HE2 GLN 150 HE22 GLN 150 22.754 -9.778 -4.318 1126 2HE2 GLN 150 HE21 GLN 150 23.839 -10.856 -3.461 1127 H LEU 151 H LEU 151 23.981 -9.673 -6.325 1128 HA LEU 151 HA LEU 151 26.301 -10.994 -7.199 1129 1HB LEU 151 HB2 LEU 151 26.166 -8.576 -6.575 1130 2HB LEU 151 HB3 LEU 151 25.904 -9.034 -4.898 1131 HG LEU 151 HG LEU 151 28.197 -10.127 -4.904 1132 1HD1 LEU 151 HD11 LEU 151 29.775 -9.517 -6.700 1133 2HD1 LEU 151 HD12 LEU 151 28.451 -10.481 -7.366 1134 3HD1 LEU 151 HD13 LEU 151 28.471 -8.723 -7.602 1135 1HD2 LEU 151 HD21 LEU 151 27.956 -7.175 -5.584 1136 2HD2 LEU 151 HD22 LEU 151 27.872 -7.919 -3.983 1137 3HD2 LEU 151 HD23 LEU 151 29.402 -7.935 -4.873 1138 H ALA 152 H ALA 152 27.312 -12.751 -6.360 1139 HA ALA 152 HA ALA 152 27.046 -13.454 -3.489 1140 1HB ALA 152 HB1 ALA 152 26.579 -15.797 -4.084 1141 2HB ALA 152 HB2 ALA 152 25.306 -14.720 -4.684 1142 3HB ALA 152 HB3 ALA 152 26.524 -15.366 -5.810 1143 H VAL 153 H VAL 153 29.172 -12.192 -4.045 1144 HA VAL 153 HA VAL 153 31.363 -12.039 -4.531 1145 HB VAL 153 HB VAL 153 31.502 -14.845 -3.399 1146 1HG1 VAL 153 HG11 VAL 153 33.417 -12.463 -3.185 1147 2HG1 VAL 153 HG12 VAL 153 33.650 -14.058 -2.438 1148 3HG1 VAL 153 HG13 VAL 153 33.684 -13.897 -4.193 1149 1HG2 VAL 153 HG21 VAL 153 31.207 -12.212 -1.895 1150 2HG2 VAL 153 HG22 VAL 153 30.074 -13.583 -1.881 1151 3HG2 VAL 153 HG23 VAL 153 31.666 -13.760 -1.156 1152 H GLU 154 H GLU 154 30.195 -12.229 -6.777 1153 HA GLU 154 HA GLU 154 30.601 -14.539 -8.399 1154 1HB GLU 154 HB2 GLU 154 28.874 -12.764 -8.701 1155 2HB GLU 154 HB3 GLU 154 30.137 -11.625 -9.185 1156 1HG GLU 154 HG2 GLU 154 30.708 -13.101 -11.107 1157 2HG GLU 154 HG3 GLU 154 29.443 -14.234 -10.610 1158 H GLU 155 H GLU 155 32.272 -15.077 -9.775 1159 HA GLU 155 HA GLU 155 34.451 -13.241 -10.413 1160 1HB GLU 155 HB2 GLU 155 34.882 -15.902 -8.961 1161 2HB GLU 155 HB3 GLU 155 36.140 -15.013 -9.821 1162 1HG GLU 155 HG2 GLU 155 35.777 -13.064 -8.289 1163 2HG GLU 155 HG3 GLU 155 34.653 -14.053 -7.349 1164 H GLU 156 H GLU 156 35.802 -14.311 -12.169 1165 HA GLU 156 HA GLU 156 34.701 -16.643 -13.516 1166 1HB GLU 156 HB2 GLU 156 33.335 -14.776 -14.441 1167 2HB GLU 156 HB3 GLU 156 34.813 -13.915 -14.894 1168 1HG GLU 156 HG2 GLU 156 35.427 -15.755 -16.431 1169 2HG GLU 156 HG3 GLU 156 34.010 -16.675 -15.919 Start of MODEL 19 1 1H MET 1 H1 MET 1 2.190 -0.284 0.699 2 2H MET 1 H2 MET 1 0.588 -0.628 0.803 3 3H MET 1 H3 MET 1 1.217 -0.081 -0.606 4 HA MET 1 HA MET 1 -0.023 1.640 0.502 5 1HB MET 1 HB2 MET 1 2.055 1.335 2.713 6 2HB MET 1 HB3 MET 1 0.948 2.693 2.528 7 1HG MET 1 HG2 MET 1 -0.986 1.154 2.725 8 2HG MET 1 HG3 MET 1 0.126 -0.199 2.982 9 1HE MET 1 HE1 MET 1 -1.178 -0.867 5.172 10 2HE MET 1 HE2 MET 1 -1.524 0.263 6.501 11 3HE MET 1 HE3 MET 1 -2.296 0.494 4.916 12 H THR 2 H THR 2 3.621 1.641 0.921 13 HA THR 2 HA THR 2 3.795 3.765 -1.138 14 HB THR 2 HB THR 2 4.974 4.028 1.663 15 HG1 THR 2 HG1 THR 2 3.336 5.360 2.188 16 1HG2 THR 2 HG21 THR 2 4.648 6.022 -0.626 17 2HG2 THR 2 HG22 THR 2 5.189 6.447 1.012 18 3HG2 THR 2 HG23 THR 2 6.176 5.374 0.017 19 H ASP 3 H ASP 3 6.042 3.920 -1.968 20 HA ASP 3 HA ASP 3 7.891 1.770 -1.116 21 1HB ASP 3 HB2 ASP 3 6.335 1.051 -3.052 22 2HB ASP 3 HB3 ASP 3 7.170 2.255 -4.034 23 H VAL 4 H VAL 4 10.044 2.481 -1.369 24 HA VAL 4 HA VAL 4 10.339 5.331 -2.226 25 HB VAL 4 HB VAL 4 11.323 3.959 0.299 26 1HG1 VAL 4 HG11 VAL 4 13.212 5.319 -0.511 27 2HG1 VAL 4 HG12 VAL 4 12.127 6.688 -0.800 28 3HG1 VAL 4 HG13 VAL 4 12.447 6.125 0.855 29 1HG2 VAL 4 HG21 VAL 4 9.027 4.935 0.373 30 2HG2 VAL 4 HG22 VAL 4 10.157 5.854 1.391 31 3HG2 VAL 4 HG23 VAL 4 9.684 6.485 -0.186 32 H LEU 5 H LEU 5 12.144 5.907 -3.227 33 HA LEU 5 HA LEU 5 14.176 3.818 -3.875 34 1HB LEU 5 HB2 LEU 5 13.115 4.611 -5.926 35 2HB LEU 5 HB3 LEU 5 13.208 6.287 -5.379 36 HG LEU 5 HG LEU 5 15.722 6.162 -5.496 37 1HD1 LEU 5 HD11 LEU 5 15.187 3.470 -6.838 38 2HD1 LEU 5 HD12 LEU 5 16.747 4.324 -6.784 39 3HD1 LEU 5 HD13 LEU 5 16.030 3.712 -5.294 40 1HD2 LEU 5 HD21 LEU 5 14.420 7.151 -7.296 41 2HD2 LEU 5 HD22 LEU 5 15.792 6.264 -7.964 42 3HD2 LEU 5 HD23 LEU 5 14.161 5.559 -8.028 43 H LEU 6 H LEU 6 16.106 4.272 -2.846 44 HA LEU 6 HA LEU 6 16.564 7.031 -1.788 45 1HB LEU 6 HB2 LEU 6 16.238 5.485 0.035 46 2HB LEU 6 HB3 LEU 6 17.388 4.342 -0.677 47 HG LEU 6 HG LEU 6 19.218 6.056 -0.343 48 1HD1 LEU 6 HD11 LEU 6 17.918 8.111 -0.316 49 2HD1 LEU 6 HD12 LEU 6 17.040 7.573 1.137 50 3HD1 LEU 6 HD13 LEU 6 18.777 7.936 1.215 51 1HD2 LEU 6 HD21 LEU 6 19.263 5.796 2.176 52 2HD2 LEU 6 HD22 LEU 6 17.656 5.045 2.049 53 3HD2 LEU 6 HD23 LEU 6 19.048 4.304 1.264 54 H CYS 7 H CYS 7 17.672 7.872 -3.462 55 HA CYS 7 HA CYS 7 19.922 6.481 -4.724 56 1HB CYS 7 HB2 CYS 7 18.861 9.342 -4.710 57 2HB CYS 7 HB3 CYS 7 20.275 8.829 -5.629 58 HG CYS 7 HG CYS 7 18.269 8.917 -7.283 59 H VAL 8 H VAL 8 22.074 6.663 -4.133 60 HA VAL 8 HA VAL 8 22.868 8.494 -1.938 61 HB VAL 8 HB VAL 8 23.507 5.515 -2.185 62 1HG1 VAL 8 HG11 VAL 8 24.334 7.529 -0.069 63 2HG1 VAL 8 HG12 VAL 8 24.603 5.770 0.021 64 3HG1 VAL 8 HG13 VAL 8 25.404 6.715 -1.227 65 1HG2 VAL 8 HG21 VAL 8 22.293 5.296 0.002 66 2HG2 VAL 8 HG22 VAL 8 21.677 6.948 -0.252 67 3HG2 VAL 8 HG23 VAL 8 21.276 5.648 -1.390 68 H GLY 9 H GLY 9 24.958 9.352 -2.294 69 1HA GLY 9 HA2 GLY 9 27.191 8.477 -3.396 70 2HA GLY 9 HA3 GLY 9 26.260 8.729 -4.875 71 H ASN 10 H ASN 10 28.534 10.144 -4.708 72 HA ASN 10 HA ASN 10 27.660 12.949 -4.098 73 1HB ASN 10 HB2 ASN 10 29.576 12.276 -2.740 74 2HB ASN 10 HB3 ASN 10 30.435 11.713 -4.161 75 1HD2 ASN 10 HD22 ASN 10 30.330 14.268 -2.032 76 2HD2 ASN 10 HD21 ASN 10 30.944 15.517 -3.083 77 H SER 11 H SER 11 27.203 14.081 -5.850 78 HA SER 11 HA SER 11 27.113 13.100 -8.378 79 1HB SER 11 HB2 SER 11 27.271 16.053 -7.736 80 2HB SER 11 HB3 SER 11 26.241 15.238 -8.925 81 HG SER 11 HG SER 11 25.103 15.860 -7.015 82 H MET 12 H MET 12 30.040 14.375 -6.994 83 HA MET 12 HA MET 12 31.187 14.727 -9.717 84 1HB MET 12 HB2 MET 12 32.403 16.674 -9.017 85 2HB MET 12 HB3 MET 12 30.680 16.950 -8.767 86 1HG MET 12 HG2 MET 12 30.932 16.539 -6.357 87 2HG MET 12 HG3 MET 12 32.638 16.130 -6.579 88 1HE MET 12 HE1 MET 12 31.879 18.103 -4.363 89 2HE MET 12 HE2 MET 12 33.564 17.747 -4.810 90 3HE MET 12 HE3 MET 12 33.031 19.431 -4.627 91 H MET 13 H MET 13 31.203 12.583 -7.386 92 HA MET 13 HA MET 13 34.126 12.516 -6.988 93 1HB MET 13 HB2 MET 13 32.608 12.446 -5.038 94 2HB MET 13 HB3 MET 13 32.011 10.885 -5.590 95 1HG MET 13 HG2 MET 13 34.359 10.002 -5.395 96 2HG MET 13 HG3 MET 13 34.862 11.595 -4.816 97 1HE MET 13 HE1 MET 13 35.488 8.928 -3.337 98 2HE MET 13 HE2 MET 13 35.958 10.552 -2.782 99 3HE MET 13 HE3 MET 13 35.180 9.416 -1.652 100 H GLY 14 H GLY 14 33.077 12.052 -9.636 101 1HA GLY 14 HA2 GLY 14 33.625 10.635 -11.344 102 2HA GLY 14 HA3 GLY 14 34.251 9.460 -10.179 103 H ASP 15 H ASP 15 33.221 7.668 -10.828 104 HA ASP 15 HA ASP 15 30.531 7.453 -11.740 105 1HB ASP 15 HB2 ASP 15 32.464 5.415 -10.595 106 2HB ASP 15 HB3 ASP 15 30.906 4.995 -11.277 107 H ASP 16 H ASP 16 31.756 7.852 -8.554 108 HA ASP 16 HA ASP 16 29.849 6.489 -6.967 109 1HB ASP 16 HB2 ASP 16 32.018 7.529 -6.252 110 2HB ASP 16 HB3 ASP 16 31.262 9.111 -6.455 111 H GLY 17 H GLY 17 29.436 9.287 -9.035 112 1HA GLY 17 HA2 GLY 17 27.213 10.480 -7.634 113 2HA GLY 17 HA3 GLY 17 27.698 10.760 -9.311 114 H ALA 18 H ALA 18 26.981 7.411 -8.308 115 HA ALA 18 HA ALA 18 25.289 7.128 -10.579 116 1HB ALA 18 HB1 ALA 18 25.697 5.331 -8.165 117 2HB ALA 18 HB2 ALA 18 24.882 4.862 -9.670 118 3HB ALA 18 HB3 ALA 18 26.608 5.276 -9.695 119 H GLY 19 H GLY 19 24.505 7.160 -7.053 120 1HA GLY 19 HA2 GLY 19 21.685 7.012 -7.343 121 2HA GLY 19 HA3 GLY 19 22.559 7.686 -5.964 122 HA PRO 20 HA PRO 20 21.755 11.879 -7.075 123 1HB PRO 20 HB2 PRO 20 24.497 12.238 -8.326 124 2HB PRO 20 HB3 PRO 20 23.567 13.385 -7.307 125 1HG PRO 20 HG2 PRO 20 25.496 11.820 -6.199 126 2HG PRO 20 HG3 PRO 20 23.945 12.071 -5.345 127 1HD PRO 20 HD2 PRO 20 24.884 9.667 -6.860 128 2HD PRO 20 HD3 PRO 20 23.832 9.778 -5.428 129 H LEU 21 H LEU 21 23.408 10.261 -9.947 130 HA LEU 21 HA LEU 21 22.017 12.003 -11.786 131 1HB LEU 21 HB2 LEU 21 24.136 10.937 -12.371 132 2HB LEU 21 HB3 LEU 21 23.428 9.340 -12.153 133 HG LEU 21 HG LEU 21 21.878 9.761 -14.068 134 1HD1 LEU 21 HD11 LEU 21 21.647 12.194 -14.000 135 2HD1 LEU 21 HD12 LEU 21 23.387 12.404 -14.296 136 3HD1 LEU 21 HD13 LEU 21 22.332 11.734 -15.559 137 1HD2 LEU 21 HD21 LEU 21 23.565 9.645 -15.846 138 2HD2 LEU 21 HD22 LEU 21 24.805 10.248 -14.722 139 3HD2 LEU 21 HD23 LEU 21 24.040 8.670 -14.448 140 H LEU 22 H LEU 22 21.363 8.765 -10.368 141 HA LEU 22 HA LEU 22 19.064 8.212 -11.972 142 1HB LEU 22 HB2 LEU 22 20.209 6.487 -10.617 143 2HB LEU 22 HB3 LEU 22 19.781 7.334 -9.139 144 HG LEU 22 HG LEU 22 17.400 6.971 -9.551 145 1HD1 LEU 22 HD11 LEU 22 18.340 5.478 -12.054 146 2HD1 LEU 22 HD12 LEU 22 16.708 5.353 -11.370 147 3HD1 LEU 22 HD13 LEU 22 17.268 6.899 -11.993 148 1HD2 LEU 22 HD21 LEU 22 17.370 4.537 -9.180 149 2HD2 LEU 22 HD22 LEU 22 19.025 4.409 -9.809 150 3HD2 LEU 22 HD23 LEU 22 18.705 5.289 -8.294 151 H ALA 23 H ALA 23 19.447 9.829 -8.796 152 HA ALA 23 HA ALA 23 16.711 10.430 -8.327 153 1HB ALA 23 HB1 ALA 23 18.428 10.721 -6.560 154 2HB ALA 23 HB2 ALA 23 19.198 12.011 -7.505 155 3HB ALA 23 HB3 ALA 23 17.568 12.235 -6.848 156 H GLU 24 H GLU 24 19.184 12.258 -10.215 157 HA GLU 24 HA GLU 24 17.559 14.538 -10.713 158 1HB GLU 24 HB2 GLU 24 19.932 14.621 -11.125 159 2HB GLU 24 HB3 GLU 24 19.866 13.240 -12.204 160 1HG GLU 24 HG2 GLU 24 20.181 15.261 -13.480 161 2HG GLU 24 HG3 GLU 24 18.661 14.482 -13.893 162 H LYS 25 H LYS 25 18.021 11.526 -12.566 163 HA LYS 25 HA LYS 25 16.205 12.171 -14.682 164 1HB LYS 25 HB2 LYS 25 17.261 9.567 -13.524 165 2HB LYS 25 HB3 LYS 25 16.194 9.613 -14.943 166 1HG LYS 25 HG2 LYS 25 17.797 10.885 -16.216 167 2HG LYS 25 HG3 LYS 25 18.855 11.086 -14.810 168 1HD LYS 25 HD2 LYS 25 19.220 8.652 -14.695 169 2HD LYS 25 HD3 LYS 25 18.163 8.395 -16.088 170 1HE LYS 25 HE2 LYS 25 20.690 10.110 -16.148 171 2HE LYS 25 HE3 LYS 25 20.665 8.392 -16.564 172 1HZ LYS 25 HZ1 LYS 25 20.478 9.777 -18.532 173 2HZ LYS 25 HZ2 LYS 25 19.138 8.855 -18.348 174 3HZ LYS 25 HZ3 LYS 25 19.099 10.463 -17.990 175 H CYS 26 H CYS 26 15.665 10.325 -11.618 176 HA CYS 26 HA CYS 26 12.897 9.840 -12.153 177 1HB CYS 26 HB2 CYS 26 14.331 10.020 -9.464 178 2HB CYS 26 HB3 CYS 26 12.719 9.333 -9.763 179 HG CYS 26 HG CYS 26 15.662 8.379 -10.899 180 H ALA 27 H ALA 27 14.541 12.595 -10.483 181 HA ALA 27 HA ALA 27 12.152 13.864 -9.661 182 1HB ALA 27 HB1 ALA 27 14.850 15.092 -10.375 183 2HB ALA 27 HB2 ALA 27 13.550 15.892 -9.471 184 3HB ALA 27 HB3 ALA 27 14.361 14.477 -8.777 185 H ALA 28 H ALA 28 13.965 14.002 -12.770 186 HA ALA 28 HA ALA 28 12.422 16.112 -13.897 187 1HB ALA 28 HB1 ALA 28 13.461 15.415 -16.015 188 2HB ALA 28 HB2 ALA 28 14.667 15.477 -14.715 189 3HB ALA 28 HB3 ALA 28 14.028 13.910 -15.267 190 H ALA 29 H ALA 29 12.092 12.578 -13.878 191 HA ALA 29 HA ALA 29 9.314 12.680 -14.846 192 1HB ALA 29 HB1 ALA 29 10.453 12.721 -16.946 193 2HB ALA 29 HB2 ALA 29 11.638 11.522 -16.413 194 3HB ALA 29 HB3 ALA 29 9.940 11.041 -16.685 195 HA PRO 30 HA PRO 30 10.061 9.606 -11.509 196 1HB PRO 30 HB2 PRO 30 7.044 9.744 -11.591 197 2HB PRO 30 HB3 PRO 30 8.129 9.642 -10.167 198 1HG PRO 30 HG2 PRO 30 7.055 12.021 -10.884 199 2HG PRO 30 HG3 PRO 30 8.783 11.927 -10.411 200 1HD PRO 30 HD2 PRO 30 7.600 12.035 -13.193 201 2HD PRO 30 HD3 PRO 30 9.022 12.895 -12.528 202 H LYS 31 H LYS 31 9.277 7.368 -11.111 203 HA LYS 31 HA LYS 31 8.307 5.914 -13.514 204 1HB LYS 31 HB2 LYS 31 10.700 5.169 -11.743 205 2HB LYS 31 HB3 LYS 31 10.033 4.144 -12.994 206 1HG LYS 31 HG2 LYS 31 11.398 6.835 -13.423 207 2HG LYS 31 HG3 LYS 31 12.064 5.249 -13.746 208 1HD LYS 31 HD2 LYS 31 9.683 5.232 -15.236 209 2HD LYS 31 HD3 LYS 31 10.245 6.904 -15.375 210 1HE LYS 31 HE2 LYS 31 12.500 6.002 -16.089 211 2HE LYS 31 HE3 LYS 31 11.818 4.377 -16.029 212 1HZ LYS 31 HZ1 LYS 31 10.165 5.108 -17.694 213 2HZ LYS 31 HZ2 LYS 31 10.923 6.561 -17.819 214 3HZ LYS 31 HZ3 LYS 31 11.701 5.186 -18.272 215 H GLY 32 H GLY 32 7.658 3.664 -12.883 216 1HA GLY 32 HA2 GLY 32 6.149 2.369 -11.714 217 2HA GLY 32 HA3 GLY 32 7.400 2.480 -10.475 218 H ASN 33 H ASN 33 6.675 3.126 -8.543 219 HA ASN 33 HA ASN 33 4.909 5.468 -8.344 220 1HB ASN 33 HB2 ASN 33 3.416 3.435 -8.160 221 2HB ASN 33 HB3 ASN 33 4.373 2.913 -6.770 222 1HD2 ASN 33 HD22 ASN 33 2.796 3.143 -5.125 223 2HD2 ASN 33 HD21 ASN 33 2.023 4.658 -4.741 224 H TRP 34 H TRP 34 7.795 5.020 -8.062 225 HA TRP 34 HA TRP 34 8.438 4.590 -5.268 226 1HB TRP 34 HB2 TRP 34 10.233 5.813 -7.395 227 2HB TRP 34 HB3 TRP 34 10.704 5.009 -5.909 228 HD1 TRP 34 HD1 TRP 34 9.643 4.381 -9.469 229 HE1 TRP 34 HE1 TRP 34 9.997 1.939 -10.137 230 HE3 TRP 34 HE3 TRP 34 11.001 2.504 -4.900 231 HZ2 TRP 34 HZ2 TRP 34 11.027 -0.422 -8.929 232 HZ3 TRP 34 HZ3 TRP 34 11.722 0.153 -4.704 233 HH2 TRP 34 HH2 TRP 34 11.767 -1.330 -6.694 234 H VAL 35 H VAL 35 8.369 6.115 -3.695 235 HA VAL 35 HA VAL 35 8.235 8.990 -4.350 236 HB VAL 35 HB VAL 35 8.495 7.571 -1.661 237 1HG1 VAL 35 HG11 VAL 35 7.822 10.463 -2.385 238 2HG1 VAL 35 HG12 VAL 35 7.713 9.773 -0.756 239 3HG1 VAL 35 HG13 VAL 35 9.288 9.896 -1.551 240 1HG2 VAL 35 HG21 VAL 35 6.355 6.975 -2.699 241 2HG2 VAL 35 HG22 VAL 35 6.086 8.118 -1.381 242 3HG2 VAL 35 HG23 VAL 35 6.028 8.683 -3.065 243 H VAL 36 H VAL 36 10.117 9.974 -4.944 244 HA VAL 36 HA VAL 36 12.633 8.552 -4.733 245 HB VAL 36 HB VAL 36 12.077 11.402 -5.674 246 1HG1 VAL 36 HG11 VAL 36 14.144 11.095 -7.019 247 2HG1 VAL 36 HG12 VAL 36 14.480 10.969 -5.293 248 3HG1 VAL 36 HG13 VAL 36 14.392 9.497 -6.281 249 1HG2 VAL 36 HG21 VAL 36 10.697 9.822 -6.998 250 2HG2 VAL 36 HG22 VAL 36 12.003 10.499 -7.955 251 3HG2 VAL 36 HG23 VAL 36 12.138 8.836 -7.326 252 H ILE 37 H ILE 37 14.220 8.846 -3.237 253 HA ILE 37 HA ILE 37 14.318 11.293 -1.583 254 HB ILE 37 HB ILE 37 14.846 8.438 -0.642 255 1HG1 ILE 37 HG12 ILE 37 12.413 8.984 -0.720 256 2HG1 ILE 37 HG13 ILE 37 13.047 8.559 0.859 257 1HG2 ILE 37 HG21 ILE 37 16.448 9.931 0.411 258 2HG2 ILE 37 HG22 ILE 37 15.171 11.068 0.863 259 3HG2 ILE 37 HG23 ILE 37 15.240 9.456 1.604 260 1HD1 ILE 37 HD11 ILE 37 11.377 10.362 0.966 261 2HD1 ILE 37 HD12 ILE 37 12.937 10.876 1.606 262 3HD1 ILE 37 HD13 ILE 37 12.428 11.404 -0.019 263 H ASP 38 H ASP 38 16.462 11.935 -1.323 264 HA ASP 38 HA ASP 38 18.606 10.452 -2.775 265 1HB ASP 38 HB2 ASP 38 17.984 12.079 -4.392 266 2HB ASP 38 HB3 ASP 38 17.879 13.359 -3.177 267 H GLY 39 H GLY 39 19.793 9.883 -1.066 268 1HA GLY 39 HA2 GLY 39 19.938 11.489 1.372 269 2HA GLY 39 HA3 GLY 39 20.707 9.933 1.031 270 H GLY 40 H GLY 40 21.552 11.704 -1.640 271 1HA GLY 40 HA2 GLY 40 23.603 12.479 -2.306 272 2HA GLY 40 HA3 GLY 40 23.699 13.354 -0.762 273 H SER 41 H SER 41 25.884 12.815 -0.291 274 HA SER 41 HA SER 41 26.669 10.004 -0.250 275 1HB SER 41 HB2 SER 41 28.893 11.095 0.368 276 2HB SER 41 HB3 SER 41 28.195 11.443 -1.224 277 HG SER 41 HG SER 41 29.019 13.299 0.060 278 H ALA 42 H ALA 42 24.775 11.614 1.862 279 HA ALA 42 HA ALA 42 25.824 10.140 4.198 280 1HB ALA 42 HB1 ALA 42 25.049 13.082 4.306 281 2HB ALA 42 HB2 ALA 42 25.405 12.035 5.700 282 3HB ALA 42 HB3 ALA 42 26.685 12.412 4.525 283 HA PRO 43 HA PRO 43 21.273 9.791 3.160 284 1HB PRO 43 HB2 PRO 43 21.030 7.076 3.079 285 2HB PRO 43 HB3 PRO 43 21.628 8.034 1.700 286 1HG PRO 43 HG2 PRO 43 23.306 6.620 3.803 287 2HG PRO 43 HG3 PRO 43 23.438 6.483 2.024 288 1HD PRO 43 HD2 PRO 43 25.018 8.186 3.412 289 2HD PRO 43 HD3 PRO 43 24.323 8.694 1.844 290 H GLU 44 H GLU 44 23.344 8.599 5.686 291 HA GLU 44 HA GLU 44 21.632 7.712 7.688 292 1HB GLU 44 HB2 GLU 44 23.981 7.701 7.984 293 2HB GLU 44 HB3 GLU 44 24.136 9.423 7.625 294 1HG GLU 44 HG2 GLU 44 23.141 10.057 9.709 295 2HG GLU 44 HG3 GLU 44 22.701 8.380 10.087 296 H ASN 45 H ASN 45 22.213 11.094 6.600 297 HA ASN 45 HA ASN 45 20.674 12.295 8.672 298 1HB ASN 45 HB2 ASN 45 21.291 14.246 7.722 299 2HB ASN 45 HB3 ASN 45 22.394 13.251 6.778 300 1HD2 ASN 45 HD22 ASN 45 21.659 12.614 4.531 301 2HD2 ASN 45 HD21 ASN 45 20.296 13.444 3.781 302 H ASP 46 H ASP 46 19.746 10.671 5.775 303 HA ASP 46 HA ASP 46 17.134 12.060 5.562 304 1HB ASP 46 HB2 ASP 46 19.005 10.751 3.665 305 2HB ASP 46 HB3 ASP 46 17.322 10.358 3.387 306 H ILE 47 H ILE 47 18.336 9.272 7.040 307 HA ILE 47 HA ILE 47 16.411 7.319 6.573 308 HB ILE 47 HB ILE 47 17.859 8.109 9.125 309 1HG1 ILE 47 HG12 ILE 47 18.340 5.882 7.084 310 2HG1 ILE 47 HG13 ILE 47 19.242 7.383 7.181 311 1HG2 ILE 47 HG21 ILE 47 15.855 6.851 9.791 312 2HG2 ILE 47 HG22 ILE 47 16.233 5.578 8.615 313 3HG2 ILE 47 HG23 ILE 47 17.281 5.861 10.026 314 1HD1 ILE 47 HD11 ILE 47 19.253 5.159 9.239 315 2HD1 ILE 47 HD12 ILE 47 20.573 5.694 8.194 316 3HD1 ILE 47 HD13 ILE 47 19.996 6.765 9.485 317 H VAL 48 H VAL 48 16.068 10.237 8.666 318 HA VAL 48 HA VAL 48 13.542 9.577 9.749 319 HB VAL 48 HB VAL 48 14.612 12.339 9.016 320 1HG1 VAL 48 HG11 VAL 48 13.131 13.150 10.827 321 2HG1 VAL 48 HG12 VAL 48 12.188 12.366 9.550 322 3HG1 VAL 48 HG13 VAL 48 12.510 11.501 11.067 323 1HG2 VAL 48 HG21 VAL 48 14.963 10.714 11.573 324 2HG2 VAL 48 HG22 VAL 48 16.247 11.216 10.449 325 3HG2 VAL 48 HG23 VAL 48 15.385 12.430 11.388 326 H ALA 49 H ALA 49 14.408 11.014 6.583 327 HA ALA 49 HA ALA 49 11.745 11.868 5.956 328 1HB ALA 49 HB1 ALA 49 13.802 12.871 4.957 329 2HB ALA 49 HB2 ALA 49 14.096 11.331 4.104 330 3HB ALA 49 HB3 ALA 49 12.653 12.290 3.730 331 H ILE 50 H ILE 50 13.647 8.930 5.425 332 HA ILE 50 HA ILE 50 11.717 7.604 3.713 333 HB ILE 50 HB ILE 50 13.795 6.418 5.603 334 1HG1 ILE 50 HG12 ILE 50 14.156 6.985 2.624 335 2HG1 ILE 50 HG13 ILE 50 14.811 7.999 3.904 336 1HG2 ILE 50 HG21 ILE 50 12.043 4.825 4.821 337 2HG2 ILE 50 HG22 ILE 50 12.472 5.202 3.139 338 3HG2 ILE 50 HG23 ILE 50 13.641 4.412 4.221 339 1HD1 ILE 50 HD11 ILE 50 16.015 5.945 4.815 340 2HD1 ILE 50 HD12 ILE 50 15.600 5.154 3.275 341 3HD1 ILE 50 HD13 ILE 50 16.591 6.630 3.292 342 H ARG 51 H ARG 51 12.417 7.682 7.267 343 HA ARG 51 HA ARG 51 10.459 5.662 7.831 344 1HB ARG 51 HB2 ARG 51 11.895 7.639 9.646 345 2HB ARG 51 HB3 ARG 51 10.669 6.517 10.227 346 1HG ARG 51 HG2 ARG 51 12.150 4.698 8.929 347 2HG ARG 51 HG3 ARG 51 13.417 5.908 9.151 348 1HD ARG 51 HD2 ARG 51 13.516 4.376 11.003 349 2HD ARG 51 HD3 ARG 51 12.865 5.910 11.620 350 HE ARG 51 HE ARG 51 10.859 3.962 10.709 351 1HH1 ARG 51 HH11 ARG 51 12.707 5.097 13.532 352 2HH1 ARG 51 HH12 ARG 51 11.610 4.446 14.692 353 1HH2 ARG 51 HH21 ARG 51 9.442 3.009 12.252 354 2HH2 ARG 51 HH22 ARG 51 9.699 3.263 13.946 355 H GLU 52 H GLU 52 10.113 9.244 7.784 356 HA GLU 52 HA GLU 52 7.574 9.185 9.037 357 1HB GLU 52 HB2 GLU 52 7.196 11.398 8.106 358 2HB GLU 52 HB3 GLU 52 8.801 11.237 8.824 359 1HG GLU 52 HG2 GLU 52 9.877 11.176 6.739 360 2HG GLU 52 HG3 GLU 52 8.362 10.982 5.836 361 H LEU 53 H LEU 53 8.424 8.130 5.789 362 HA LEU 53 HA LEU 53 5.666 8.124 4.861 363 1HB LEU 53 HB2 LEU 53 8.199 6.892 3.719 364 2HB LEU 53 HB3 LEU 53 6.663 6.978 2.885 365 HG LEU 53 HG LEU 53 8.234 9.439 3.768 366 1HD1 LEU 53 HD11 LEU 53 8.120 8.072 1.053 367 2HD1 LEU 53 HD12 LEU 53 8.903 9.633 1.411 368 3HD1 LEU 53 HD13 LEU 53 9.521 8.152 2.149 369 1HD2 LEU 53 HD21 LEU 53 5.841 9.895 3.471 370 2HD2 LEU 53 HD22 LEU 53 6.772 10.620 2.158 371 3HD2 LEU 53 HD23 LEU 53 5.867 9.117 1.871 372 H ARG 54 H ARG 54 7.432 6.114 6.952 373 HA ARG 54 HA ARG 54 7.734 3.868 7.221 374 1HB ARG 54 HB2 ARG 54 4.737 4.109 7.634 375 2HB ARG 54 HB3 ARG 54 5.780 2.801 8.211 376 1HG ARG 54 HG2 ARG 54 7.155 4.651 9.410 377 2HG ARG 54 HG3 ARG 54 5.769 5.707 9.082 378 1HD ARG 54 HD2 ARG 54 5.405 4.863 11.259 379 2HD ARG 54 HD3 ARG 54 4.335 3.896 10.227 380 HE ARG 54 HE ARG 54 7.050 2.816 10.718 381 1HH1 ARG 54 HH11 ARG 54 3.659 2.694 11.814 382 2HH1 ARG 54 HH12 ARG 54 3.869 1.202 12.655 383 1HH2 ARG 54 HH21 ARG 54 7.334 0.999 11.787 384 2HH2 ARG 54 HH22 ARG 54 6.054 0.160 12.644 385 HA PRO 55 HA PRO 55 6.471 2.925 2.838 386 1HB PRO 55 HB2 PRO 55 9.253 1.802 2.731 387 2HB PRO 55 HB3 PRO 55 8.381 2.793 1.520 388 1HG PRO 55 HG2 PRO 55 10.275 3.921 3.096 389 2HG PRO 55 HG3 PRO 55 8.725 4.776 2.786 390 1HD PRO 55 HD2 PRO 55 9.481 3.167 5.222 391 2HD PRO 55 HD3 PRO 55 8.735 4.771 5.107 392 H THR 56 H THR 56 5.862 0.988 1.836 393 HA THR 56 HA THR 56 5.818 -1.464 3.367 394 HB THR 56 HB THR 56 5.219 -1.046 0.411 395 HG1 THR 56 HG1 THR 56 3.667 -0.372 2.680 396 1HG2 THR 56 HG21 THR 56 5.102 -3.381 1.220 397 2HG2 THR 56 HG22 THR 56 3.963 -2.886 2.493 398 3HG2 THR 56 HG23 THR 56 3.500 -2.764 0.779 399 H ARG 57 H ARG 57 7.790 -0.023 0.762 400 HA ARG 57 HA ARG 57 9.818 -2.133 1.136 401 1HB ARG 57 HB2 ARG 57 8.685 -1.368 -1.572 402 2HB ARG 57 HB3 ARG 57 10.122 -2.363 -1.321 403 1HG ARG 57 HG2 ARG 57 8.655 -4.045 -0.133 404 2HG ARG 57 HG3 ARG 57 7.247 -3.088 -0.621 405 1HD ARG 57 HD2 ARG 57 9.289 -4.354 -2.501 406 2HD ARG 57 HD3 ARG 57 7.661 -4.958 -2.169 407 HE ARG 57 HE ARG 57 8.132 -2.229 -3.343 408 1HH1 ARG 57 HH21 ARG 57 6.572 -5.422 -3.720 409 2HH1 ARG 57 HH22 ARG 57 5.644 -4.917 -5.082 410 1HH2 ARG 57 HH11 ARG 57 6.995 -1.605 -5.003 411 2HH2 ARG 57 HH12 ARG 57 5.878 -2.643 -5.873 412 H LEU 58 H LEU 58 11.893 -1.515 0.196 413 HA LEU 58 HA LEU 58 12.290 1.330 -0.549 414 1HB LEU 58 HB2 LEU 58 12.543 1.348 1.857 415 2HB LEU 58 HB3 LEU 58 13.486 -0.143 1.825 416 HG LEU 58 HG LEU 58 15.369 1.021 0.758 417 1HD1 LEU 58 HD11 LEU 58 15.393 3.488 0.652 418 2HD1 LEU 58 HD12 LEU 58 14.197 2.830 -0.460 419 3HD1 LEU 58 HD13 LEU 58 13.675 3.535 1.090 420 1HD2 LEU 58 HD21 LEU 58 15.175 0.905 3.252 421 2HD2 LEU 58 HD22 LEU 58 16.050 2.341 2.703 422 3HD2 LEU 58 HD23 LEU 58 14.360 2.472 3.237 423 H LEU 59 H LEU 59 13.826 1.470 -2.112 424 HA LEU 59 HA LEU 59 15.736 -0.781 -2.528 425 1HB LEU 59 HB2 LEU 59 14.091 -0.937 -4.310 426 2HB LEU 59 HB3 LEU 59 14.133 0.813 -4.560 427 HG LEU 59 HG LEU 59 16.449 0.675 -5.410 428 1HD1 LEU 59 HD11 LEU 59 17.263 -1.351 -4.226 429 2HD1 LEU 59 HD12 LEU 59 16.114 -2.347 -5.152 430 3HD1 LEU 59 HD13 LEU 59 17.448 -1.511 -5.970 431 1HD2 LEU 59 HD21 LEU 59 14.533 -1.237 -6.808 432 2HD2 LEU 59 HD22 LEU 59 14.525 0.532 -6.950 433 3HD2 LEU 59 HD23 LEU 59 15.912 -0.392 -7.547 434 H ILE 60 H ILE 60 17.798 -0.064 -2.444 435 HA ILE 60 HA ILE 60 18.284 2.859 -2.449 436 HB ILE 60 HB ILE 60 19.877 0.620 -1.166 437 1HG1 ILE 60 HG12 ILE 60 17.978 2.458 0.354 438 2HG1 ILE 60 HG13 ILE 60 17.521 0.846 -0.162 439 1HG2 ILE 60 HG21 ILE 60 21.172 2.677 -1.581 440 2HG2 ILE 60 HG22 ILE 60 19.926 3.652 -0.790 441 3HG2 ILE 60 HG23 ILE 60 20.902 2.510 0.149 442 1HD1 ILE 60 HD11 ILE 60 19.801 1.437 1.735 443 2HD1 ILE 60 HD12 ILE 60 18.211 0.761 2.120 444 3HD1 ILE 60 HD13 ILE 60 19.333 -0.163 1.099 445 H VAL 61 H VAL 61 20.067 3.639 -3.744 446 HA VAL 61 HA VAL 61 21.423 1.637 -5.474 447 HB VAL 61 HB VAL 61 19.961 4.093 -6.508 448 1HG1 VAL 61 HG11 VAL 61 20.532 3.065 -8.766 449 2HG1 VAL 61 HG12 VAL 61 21.916 3.681 -7.871 450 3HG1 VAL 61 HG13 VAL 61 21.596 1.935 -7.908 451 1HG2 VAL 61 HG21 VAL 61 19.233 1.160 -6.819 452 2HG2 VAL 61 HG22 VAL 61 18.290 2.407 -5.982 453 3HG2 VAL 61 HG23 VAL 61 18.494 2.492 -7.729 454 H ASP 62 H ASP 62 23.494 2.077 -5.851 455 HA ASP 62 HA ASP 62 24.617 4.705 -6.106 456 1HB ASP 62 HB2 ASP 62 24.619 4.395 -3.612 457 2HB ASP 62 HB3 ASP 62 25.625 2.963 -3.829 458 H ALA 63 H ALA 63 27.140 4.237 -6.472 459 HA ALA 63 HA ALA 63 27.513 1.911 -8.210 460 1HB ALA 63 HB1 ALA 63 29.838 2.753 -8.358 461 2HB ALA 63 HB2 ALA 63 28.672 4.035 -8.719 462 3HB ALA 63 HB3 ALA 63 29.479 3.986 -7.131 463 H THR 64 H THR 64 29.168 0.236 -7.647 464 HA THR 64 HA THR 64 30.093 0.051 -4.889 465 HB THR 64 HB THR 64 28.364 -2.214 -5.991 466 HG1 THR 64 HG1 THR 64 27.605 0.078 -4.649 467 1HG2 THR 64 HG21 THR 64 29.433 -1.545 -3.212 468 2HG2 THR 64 HG22 THR 64 28.334 -2.887 -3.584 469 3HG2 THR 64 HG23 THR 64 29.964 -2.873 -4.270 470 H ASP 65 H ASP 65 32.174 -0.800 -5.112 471 HA ASP 65 HA ASP 65 32.987 -1.898 -7.704 472 1HB ASP 65 HB2 ASP 65 34.529 -0.511 -6.325 473 2HB ASP 65 HB3 ASP 65 34.568 -1.804 -5.119 474 H MET 66 H MET 66 32.768 -3.921 -8.247 475 HA MET 66 HA MET 66 32.269 -6.044 -6.220 476 1HB MET 66 HB2 MET 66 30.953 -5.463 -8.924 477 2HB MET 66 HB3 MET 66 30.706 -6.946 -7.998 478 1HG MET 66 HG2 MET 66 29.814 -5.695 -6.105 479 2HG MET 66 HG3 MET 66 30.091 -4.166 -6.917 480 1HE MET 66 HE1 MET 66 28.453 -3.010 -8.543 481 2HE MET 66 HE2 MET 66 29.236 -4.151 -9.651 482 3HE MET 66 HE3 MET 66 27.464 -3.952 -9.684 483 H GLY 67 H GLY 67 34.566 -4.939 -8.351 484 1HA GLY 67 HA2 GLY 67 36.271 -5.898 -9.514 485 2HA GLY 67 HA3 GLY 67 35.899 -7.448 -8.733 486 H LEU 68 H LEU 68 33.454 -5.724 -10.610 487 HA LEU 68 HA LEU 68 33.394 -7.921 -12.625 488 1HB LEU 68 HB2 LEU 68 31.320 -5.816 -11.874 489 2HB LEU 68 HB3 LEU 68 31.095 -7.076 -13.085 490 HG LEU 68 HG LEU 68 31.530 -7.612 -10.143 491 1HD1 LEU 68 HD11 LEU 68 29.011 -7.652 -11.844 492 2HD1 LEU 68 HD12 LEU 68 29.122 -8.223 -10.164 493 3HD1 LEU 68 HD13 LEU 68 29.381 -6.512 -10.541 494 1HD2 LEU 68 HD21 LEU 68 30.799 -9.911 -10.701 495 2HD2 LEU 68 HD22 LEU 68 30.798 -9.491 -12.426 496 3HD2 LEU 68 HD23 LEU 68 32.315 -9.497 -11.494 497 H ASN 69 H ASN 69 32.126 -6.673 -14.632 498 HA ASN 69 HA ASN 69 34.203 -4.975 -15.877 499 1HB ASN 69 HB2 ASN 69 32.981 -6.759 -17.172 500 2HB ASN 69 HB3 ASN 69 31.485 -5.850 -16.964 501 1HD2 ASN 69 HD22 ASN 69 31.386 -3.577 -18.019 502 2HD2 ASN 69 HD21 ASN 69 32.392 -3.347 -19.417 503 HA PRO 70 HA PRO 70 32.248 -1.102 -14.515 504 1HB PRO 70 HB2 PRO 70 32.840 -0.383 -17.397 505 2HB PRO 70 HB3 PRO 70 32.967 0.645 -15.934 506 1HG PRO 70 HG2 PRO 70 35.187 -0.534 -16.910 507 2HG PRO 70 HG3 PRO 70 34.868 -0.616 -15.146 508 1HD PRO 70 HD2 PRO 70 34.396 -2.745 -17.233 509 2HD PRO 70 HD3 PRO 70 35.051 -2.907 -15.575 510 H GLY 71 H GLY 71 30.164 -0.405 -14.450 511 1HA GLY 71 HA2 GLY 71 28.036 0.073 -15.134 512 2HA GLY 71 HA3 GLY 71 28.435 -0.438 -16.778 513 H GLU 72 H GLU 72 29.263 -3.055 -14.734 514 HA GLU 72 HA GLU 72 26.864 -4.569 -15.332 515 1HB GLU 72 HB2 GLU 72 29.292 -5.001 -13.544 516 2HB GLU 72 HB3 GLU 72 27.915 -6.088 -13.477 517 1HG GLU 72 HG2 GLU 72 29.400 -5.475 -16.060 518 2HG GLU 72 HG3 GLU 72 29.795 -6.830 -15.002 519 H ILE 73 H ILE 73 25.192 -5.042 -13.931 520 HA ILE 73 HA ILE 73 24.829 -3.240 -11.588 521 HB ILE 73 HB ILE 73 22.799 -4.257 -13.632 522 1HG1 ILE 73 HG12 ILE 73 23.555 -1.343 -13.220 523 2HG1 ILE 73 HG13 ILE 73 24.409 -2.341 -14.384 524 1HG2 ILE 73 HG21 ILE 73 21.274 -2.597 -12.399 525 2HG2 ILE 73 HG22 ILE 73 21.707 -4.038 -11.493 526 3HG2 ILE 73 HG23 ILE 73 22.545 -2.508 -11.163 527 1HD1 ILE 73 HD11 ILE 73 22.334 -2.818 -15.598 528 2HD1 ILE 73 HD12 ILE 73 21.423 -1.793 -14.469 529 3HD1 ILE 73 HD13 ILE 73 22.671 -1.081 -15.502 530 H ARG 74 H ARG 74 23.993 -4.264 -9.700 531 HA ARG 74 HA ARG 74 23.149 -7.100 -9.906 532 1HB ARG 74 HB2 ARG 74 25.417 -6.060 -8.147 533 2HB ARG 74 HB3 ARG 74 24.652 -7.630 -7.945 534 1HG ARG 74 HG2 ARG 74 26.194 -6.781 -10.421 535 2HG ARG 74 HG3 ARG 74 26.830 -7.749 -9.092 536 1HD ARG 74 HD2 ARG 74 25.120 -9.489 -9.502 537 2HD ARG 74 HD3 ARG 74 24.486 -8.556 -10.860 538 HE ARG 74 HE ARG 74 27.035 -10.052 -10.712 539 1HH1 ARG 74 HH21 ARG 74 25.149 -7.695 -12.691 540 2HH1 ARG 74 HH22 ARG 74 26.183 -8.030 -14.085 541 1HH2 ARG 74 HH11 ARG 74 28.223 -10.340 -12.485 542 2HH2 ARG 74 HH12 ARG 74 27.880 -9.450 -13.996 543 H ILE 75 H ILE 75 21.863 -7.803 -8.192 544 HA ILE 75 HA ILE 75 20.879 -5.793 -6.228 545 HB ILE 75 HB ILE 75 20.322 -8.786 -6.544 546 1HG1 ILE 75 HG12 ILE 75 19.395 -7.665 -8.451 547 2HG1 ILE 75 HG13 ILE 75 18.105 -8.208 -7.391 548 1HG2 ILE 75 HG21 ILE 75 19.934 -8.184 -4.245 549 2HG2 ILE 75 HG22 ILE 75 19.018 -6.737 -4.712 550 3HG2 ILE 75 HG23 ILE 75 18.370 -8.364 -5.033 551 1HD1 ILE 75 HD11 ILE 75 19.126 -5.347 -7.573 552 2HD1 ILE 75 HD12 ILE 75 17.638 -5.981 -8.303 553 3HD1 ILE 75 HD13 ILE 75 17.784 -5.914 -6.539 554 H ILE 76 H ILE 76 21.617 -5.867 -4.008 555 HA ILE 76 HA ILE 76 23.675 -7.930 -3.377 556 HB ILE 76 HB ILE 76 23.944 -5.108 -2.359 557 1HG1 ILE 76 HG12 ILE 76 25.234 -6.193 -4.905 558 2HG1 ILE 76 HG13 ILE 76 24.061 -4.874 -4.811 559 1HG2 ILE 76 HG21 ILE 76 25.106 -7.107 -1.265 560 2HG2 ILE 76 HG22 ILE 76 25.970 -7.365 -2.781 561 3HG2 ILE 76 HG23 ILE 76 26.237 -5.886 -1.843 562 1HD1 ILE 76 HD11 ILE 76 25.659 -3.527 -3.472 563 2HD1 ILE 76 HD12 ILE 76 26.883 -4.805 -3.692 564 3HD1 ILE 76 HD13 ILE 76 26.256 -3.943 -5.093 565 H ASP 77 H ASP 77 23.116 -9.056 -1.614 566 HA ASP 77 HA ASP 77 20.760 -8.380 -0.041 567 1HB ASP 77 HB2 ASP 77 21.332 -10.706 -0.626 568 2HB ASP 77 HB3 ASP 77 22.861 -10.569 0.244 569 HA PRO 78 HA PRO 78 22.871 -5.836 2.984 570 1HB PRO 78 HB2 PRO 78 21.204 -7.394 4.964 571 2HB PRO 78 HB3 PRO 78 21.548 -5.633 4.928 572 1HG PRO 78 HG2 PRO 78 19.213 -6.557 3.926 573 2HG PRO 78 HG3 PRO 78 20.144 -5.325 3.015 574 1HD PRO 78 HD2 PRO 78 19.959 -8.273 2.495 575 2HD PRO 78 HD3 PRO 78 20.009 -6.899 1.344 576 H ASP 79 H ASP 79 22.836 -9.347 3.647 577 HA ASP 79 HA ASP 79 24.936 -9.212 5.657 578 1HB ASP 79 HB2 ASP 79 23.336 -11.087 5.529 579 2HB ASP 79 HB3 ASP 79 23.964 -11.524 3.935 580 H ASP 80 H ASP 80 24.844 -9.204 2.165 581 HA ASP 80 HA ASP 80 27.694 -9.953 1.890 582 1HB ASP 80 HB2 ASP 80 25.980 -11.008 0.424 583 2HB ASP 80 HB3 ASP 80 25.567 -9.419 -0.215 584 H ILE 81 H ILE 81 25.463 -7.216 1.462 585 HA ILE 81 HA ILE 81 27.157 -5.218 0.421 586 HB ILE 81 HB ILE 81 25.028 -5.094 2.592 587 1HG1 ILE 81 HG12 ILE 81 24.954 -4.293 -0.346 588 2HG1 ILE 81 HG13 ILE 81 24.246 -5.748 0.346 589 1HG2 ILE 81 HG21 ILE 81 26.075 -2.637 1.156 590 2HG2 ILE 81 HG22 ILE 81 24.886 -2.719 2.459 591 3HG2 ILE 81 HG23 ILE 81 26.573 -3.081 2.798 592 1HD1 ILE 81 HD11 ILE 81 23.315 -2.908 0.625 593 2HD1 ILE 81 HD12 ILE 81 22.401 -4.380 0.202 594 3HD1 ILE 81 HD13 ILE 81 22.894 -4.095 1.867 595 H ALA 82 H ALA 82 26.825 -6.385 3.745 596 HA ALA 82 HA ALA 82 28.475 -4.577 5.029 597 1HB ALA 82 HB1 ALA 82 28.552 -6.261 6.839 598 2HB ALA 82 HB2 ALA 82 26.927 -6.209 6.118 599 3HB ALA 82 HB3 ALA 82 28.054 -7.522 5.690 600 H GLU 83 H GLU 83 29.552 -7.157 2.931 601 HA GLU 83 HA GLU 83 32.364 -6.763 3.896 602 1HB GLU 83 HB2 GLU 83 31.094 -9.183 2.557 603 2HB GLU 83 HB3 GLU 83 32.823 -8.976 2.866 604 1HG GLU 83 HG2 GLU 83 32.309 -8.729 5.321 605 2HG GLU 83 HG3 GLU 83 30.627 -9.138 4.973 606 H MET 84 H MET 84 30.121 -6.608 1.185 607 HA MET 84 HA MET 84 32.255 -6.374 -0.786 608 1HB MET 84 HB2 MET 84 29.225 -6.033 -0.946 609 2HB MET 84 HB3 MET 84 30.299 -5.736 -2.316 610 1HG MET 84 HG2 MET 84 30.196 -8.350 -0.774 611 2HG MET 84 HG3 MET 84 29.350 -8.031 -2.280 612 1HE MET 84 HE1 MET 84 32.167 -10.615 -3.218 613 2HE MET 84 HE2 MET 84 31.270 -10.493 -1.689 614 3HE MET 84 HE3 MET 84 30.416 -10.285 -3.236 615 H PHE 85 H PHE 85 30.228 -4.042 1.010 616 HA PHE 85 HA PHE 85 30.724 -1.947 -0.810 617 1HB PHE 85 HB2 PHE 85 29.341 -2.187 1.724 618 2HB PHE 85 HB3 PHE 85 30.334 -0.743 1.746 619 HD1 PHE 85 HD1 PHE 85 27.799 -2.596 -0.287 620 HD2 PHE 85 HD2 PHE 85 29.783 1.170 0.428 621 HE1 PHE 85 HE1 PHE 85 26.347 -1.490 -1.990 622 HE2 PHE 85 HE2 PHE 85 28.346 2.256 -1.283 623 HZ PHE 85 HZ PHE 85 26.663 0.918 -2.515 624 H MET 86 H MET 86 32.656 -2.886 2.029 625 HA MET 86 HA MET 86 34.316 -0.586 1.936 626 1HB MET 86 HB2 MET 86 35.876 -1.777 3.346 627 2HB MET 86 HB3 MET 86 34.221 -1.932 3.904 628 1HG MET 86 HG2 MET 86 35.280 -4.035 4.218 629 2HG MET 86 HG3 MET 86 34.103 -4.219 2.932 630 1HE MET 86 HE1 MET 86 37.897 -3.976 3.899 631 2HE MET 86 HE2 MET 86 38.723 -4.240 2.348 632 3HE MET 86 HE3 MET 86 37.857 -2.721 2.637 633 H MET 87 H MET 87 34.131 -3.032 -0.453 634 HA MET 87 HA MET 87 36.849 -3.020 -1.340 635 1HB MET 87 HB2 MET 87 34.999 -4.625 -2.005 636 2HB MET 87 HB3 MET 87 34.341 -3.339 -3.033 637 1HG MET 87 HG2 MET 87 36.442 -3.305 -4.322 638 2HG MET 87 HG3 MET 87 37.143 -4.510 -3.238 639 1HE MET 87 HE1 MET 87 36.777 -6.538 -6.555 640 2HE MET 87 HE2 MET 87 37.161 -4.808 -6.429 641 3HE MET 87 HE3 MET 87 37.876 -5.965 -5.282 642 H THR 88 H THR 88 34.278 -0.582 -1.493 643 HA THR 88 HA THR 88 35.682 1.046 -3.460 644 HB THR 88 HB THR 88 33.955 2.720 -2.911 645 HG1 THR 88 HG1 THR 88 32.875 0.695 -1.216 646 1HG2 THR 88 HG21 THR 88 32.100 1.545 -3.977 647 2HG2 THR 88 HG22 THR 88 33.638 1.128 -4.748 648 3HG2 THR 88 HG23 THR 88 32.866 -0.022 -3.622 649 H THR 89 H THR 89 37.539 0.339 -1.752 650 HA THR 89 HA THR 89 39.198 1.004 -0.443 651 HB THR 89 HB THR 89 38.467 3.841 -1.236 652 HG1 THR 89 HG1 THR 89 39.347 3.424 -3.203 653 1HG2 THR 89 HG21 THR 89 40.926 4.099 -1.408 654 2HG2 THR 89 HG22 THR 89 40.471 3.591 0.222 655 3HG2 THR 89 HG23 THR 89 41.152 2.406 -0.911 656 H HIS 90 H HIS 90 37.707 0.158 1.265 657 HA HIS 90 HA HIS 90 37.146 0.117 3.404 658 1HB HIS 90 HB2 HIS 90 39.563 0.989 3.456 659 2HB HIS 90 HB3 HIS 90 38.872 2.539 3.929 660 HD1 HIS 90 HD1 HIS 90 36.997 2.015 6.197 661 HD2 HIS 90 HD2 HIS 90 40.347 -0.418 5.462 662 HE1 HIS 90 HE1 HIS 90 37.515 0.820 8.406 663 H ASN 91 H ASN 91 35.419 1.529 1.624 664 HA ASN 91 HA ASN 91 34.090 3.719 2.904 665 1HB ASN 91 HB2 ASN 91 33.826 2.776 0.531 666 2HB ASN 91 HB3 ASN 91 32.800 1.521 1.247 667 1HD2 ASN 91 HD22 ASN 91 31.693 2.867 -0.672 668 2HD2 ASN 91 HD21 ASN 91 30.549 4.083 -0.104 669 H MET 92 H MET 92 31.921 3.515 3.947 670 HA MET 92 HA MET 92 32.049 1.781 6.236 671 1HB MET 92 HB2 MET 92 29.809 3.547 5.154 672 2HB MET 92 HB3 MET 92 29.762 2.712 6.711 673 1HG MET 92 HG2 MET 92 31.800 4.822 5.913 674 2HG MET 92 HG3 MET 92 30.394 5.075 6.942 675 1HE MET 92 HE1 MET 92 33.408 5.462 9.421 676 2HE MET 92 HE2 MET 92 33.370 5.928 7.705 677 3HE MET 92 HE3 MET 92 31.953 6.224 8.740 678 HA PRO 93 HA PRO 93 29.765 -1.683 4.442 679 1HB PRO 93 HB2 PRO 93 29.108 -3.066 6.688 680 2HB PRO 93 HB3 PRO 93 30.807 -2.877 6.164 681 1HG PRO 93 HG2 PRO 93 29.324 -1.273 8.267 682 2HG PRO 93 HG3 PRO 93 30.948 -2.020 8.378 683 1HD PRO 93 HD2 PRO 93 30.507 0.632 7.701 684 2HD PRO 93 HD3 PRO 93 31.921 -0.305 7.118 685 H LEU 94 H LEU 94 28.258 -0.013 3.695 686 HA LEU 94 HA LEU 94 26.419 1.352 5.040 687 1HB LEU 94 HB2 LEU 94 26.986 0.803 2.294 688 2HB LEU 94 HB3 LEU 94 25.234 0.813 2.470 689 HG LEU 94 HG LEU 94 27.081 2.993 3.546 690 1HD1 LEU 94 HD11 LEU 94 25.464 2.944 0.955 691 2HD1 LEU 94 HD12 LEU 94 26.357 4.343 1.596 692 3HD1 LEU 94 HD13 LEU 94 27.234 2.892 1.099 693 1HD2 LEU 94 HD21 LEU 94 24.050 2.975 3.119 694 2HD2 LEU 94 HD22 LEU 94 24.880 2.969 4.685 695 3HD2 LEU 94 HD23 LEU 94 25.012 4.377 3.635 696 H ASN 95 H ASN 95 25.984 -1.977 4.864 697 HA ASN 95 HA ASN 95 23.169 -2.209 5.095 698 1HB ASN 95 HB2 ASN 95 23.512 -4.331 5.783 699 2HB ASN 95 HB3 ASN 95 25.095 -4.066 5.076 700 1HD2 ASN 95 HD22 ASN 95 26.645 -2.824 7.056 701 2HD2 ASN 95 HD21 ASN 95 26.599 -3.797 8.495 702 H TYR 96 H TYR 96 25.466 -0.673 7.294 703 HA TYR 96 HA TYR 96 23.987 -0.843 9.693 704 1HB TYR 96 HB2 TYR 96 25.270 0.948 10.488 705 2HB TYR 96 HB3 TYR 96 26.334 0.078 9.402 706 HD1 TYR 96 HD1 TYR 96 24.329 3.171 9.895 707 HD2 TYR 96 HD2 TYR 96 27.205 1.179 7.381 708 HE1 TYR 96 HE1 TYR 96 24.672 5.273 8.646 709 HE2 TYR 96 HE2 TYR 96 27.530 3.280 6.097 710 HH TYR 96 HH TYR 96 25.803 6.317 6.884 711 H LEU 97 H LEU 97 23.410 1.160 6.791 712 HA LEU 97 HA LEU 97 21.403 2.832 8.095 713 1HB LEU 97 HB2 LEU 97 22.605 3.623 6.146 714 2HB LEU 97 HB3 LEU 97 22.021 2.291 5.154 715 HG LEU 97 HG LEU 97 19.895 3.920 6.517 716 1HD1 LEU 97 HD11 LEU 97 21.500 5.045 4.197 717 2HD1 LEU 97 HD12 LEU 97 20.012 5.747 4.889 718 3HD1 LEU 97 HD13 LEU 97 21.490 5.684 5.857 719 1HD2 LEU 97 HD21 LEU 97 20.221 2.980 3.627 720 2HD2 LEU 97 HD22 LEU 97 19.315 2.111 4.879 721 3HD2 LEU 97 HD23 LEU 97 18.763 3.698 4.339 722 H ILE 98 H ILE 98 21.407 -0.104 6.021 723 HA ILE 98 HA ILE 98 18.606 -0.348 5.785 724 HB ILE 98 HB ILE 98 20.828 -2.426 5.705 725 1HG1 ILE 98 HG12 ILE 98 19.291 -0.962 3.511 726 2HG1 ILE 98 HG13 ILE 98 20.934 -0.587 4.021 727 1HG2 ILE 98 HG21 ILE 98 19.145 -3.868 4.469 728 2HG2 ILE 98 HG22 ILE 98 18.834 -3.674 6.182 729 3HG2 ILE 98 HG23 ILE 98 17.886 -2.746 5.012 730 1HD1 ILE 98 HD11 ILE 98 20.003 -3.044 2.537 731 2HD1 ILE 98 HD12 ILE 98 21.187 -1.825 2.055 732 3HD1 ILE 98 HD13 ILE 98 21.582 -2.953 3.370 733 H ASP 99 H ASP 99 20.825 -1.582 8.336 734 HA ASP 99 HA ASP 99 18.951 -3.089 9.771 735 1HB ASP 99 HB2 ASP 99 21.361 -3.099 10.218 736 2HB ASP 99 HB3 ASP 99 21.296 -1.421 10.763 737 H GLN 100 H GLN 100 19.114 0.393 9.487 738 HA GLN 100 HA GLN 100 17.459 0.855 11.899 739 1HB GLN 100 HB2 GLN 100 18.729 2.761 9.891 740 2HB GLN 100 HB3 GLN 100 17.778 3.260 11.288 741 1HG GLN 100 HG2 GLN 100 19.378 2.329 12.840 742 2HG GLN 100 HG3 GLN 100 20.288 1.552 11.549 743 1HE2 GLN 100 HE22 GLN 100 21.868 2.685 10.473 744 2HE2 GLN 100 HE21 GLN 100 22.222 4.390 10.758 745 H LEU 101 H LEU 101 16.893 0.031 8.648 746 HA LEU 101 HA LEU 101 14.173 1.294 8.711 747 1HB LEU 101 HB2 LEU 101 16.007 0.664 6.355 748 2HB LEU 101 HB3 LEU 101 14.288 0.892 6.193 749 HG LEU 101 HG LEU 101 15.192 2.891 5.518 750 1HD1 LEU 101 HD11 LEU 101 13.264 3.179 7.079 751 2HD1 LEU 101 HD12 LEU 101 14.419 3.492 8.395 752 3HD1 LEU 101 HD13 LEU 101 14.340 4.585 7.004 753 1HD2 LEU 101 HD21 LEU 101 17.458 2.618 6.429 754 2HD2 LEU 101 HD22 LEU 101 16.811 4.246 6.643 755 3HD2 LEU 101 HD23 LEU 101 16.879 3.131 8.026 756 H LYS 102 H LYS 102 15.998 -1.709 8.245 757 HA LYS 102 HA LYS 102 13.919 -3.183 7.065 758 1HB LYS 102 HB2 LYS 102 15.232 -5.096 7.444 759 2HB LYS 102 HB3 LYS 102 16.383 -3.772 7.236 760 1HG LYS 102 HG2 LYS 102 16.640 -3.646 9.727 761 2HG LYS 102 HG3 LYS 102 15.546 -5.037 9.871 762 1HD LYS 102 HD2 LYS 102 17.107 -6.402 8.478 763 2HD LYS 102 HD3 LYS 102 18.194 -5.016 8.369 764 1HE LYS 102 HE2 LYS 102 19.060 -6.467 10.061 765 2HE LYS 102 HE3 LYS 102 18.437 -5.023 10.862 766 1HZ LYS 102 HZ1 LYS 102 16.994 -7.608 10.699 767 2HZ LYS 102 HZ2 LYS 102 17.811 -7.066 11.999 768 3HZ LYS 102 HZ3 LYS 102 16.470 -6.277 11.515 769 H GLU 103 H GLU 103 14.285 -2.251 10.412 770 HA GLU 103 HA GLU 103 12.370 -4.145 11.455 771 1HB GLU 103 HB2 GLU 103 13.514 -1.568 12.617 772 2HB GLU 103 HB3 GLU 103 12.593 -2.768 13.519 773 1HG GLU 103 HG2 GLU 103 15.336 -3.164 12.255 774 2HG GLU 103 HG3 GLU 103 14.979 -2.992 13.967 775 H ASP 104 H ASP 104 11.982 -1.451 9.458 776 HA ASP 104 HA ASP 104 9.309 -0.704 10.563 777 1HB ASP 104 HB2 ASP 104 11.201 0.853 11.128 778 2HB ASP 104 HB3 ASP 104 11.470 1.100 9.403 779 H ILE 105 H ILE 105 10.856 -2.060 7.930 780 HA ILE 105 HA ILE 105 8.852 -1.123 5.960 781 HB ILE 105 HB ILE 105 11.883 -1.268 5.619 782 1HG1 ILE 105 HG12 ILE 105 9.893 1.028 5.601 783 2HG1 ILE 105 HG13 ILE 105 11.265 0.794 6.680 784 1HG2 ILE 105 HG21 ILE 105 10.810 -2.168 3.614 785 2HG2 ILE 105 HG22 ILE 105 9.799 -0.704 3.473 786 3HG2 ILE 105 HG23 ILE 105 11.566 -0.647 3.269 787 1HD1 ILE 105 HD11 ILE 105 12.768 1.052 4.615 788 2HD1 ILE 105 HD12 ILE 105 11.318 1.651 3.785 789 3HD1 ILE 105 HD13 ILE 105 11.924 2.499 5.211 790 H GLY 106 H GLY 106 8.304 -2.747 4.422 791 1HA GLY 106 HA2 GLY 106 8.319 -5.397 5.513 792 2HA GLY 106 HA3 GLY 106 7.627 -4.864 3.974 793 H GLU 107 H GLU 107 10.051 -3.854 2.707 794 HA GLU 107 HA GLU 107 12.009 -6.042 2.832 795 1HB GLU 107 HB2 GLU 107 10.233 -6.605 1.060 796 2HB GLU 107 HB3 GLU 107 10.708 -5.119 0.227 797 1HG GLU 107 HG2 GLU 107 11.819 -6.959 -0.832 798 2HG GLU 107 HG3 GLU 107 13.033 -6.015 0.016 799 H VAL 108 H VAL 108 14.073 -5.203 2.530 800 HA VAL 108 HA VAL 108 14.315 -2.474 1.396 801 HB VAL 108 HB VAL 108 15.847 -3.568 3.779 802 1HG1 VAL 108 HG11 VAL 108 16.009 -0.959 2.209 803 2HG1 VAL 108 HG12 VAL 108 16.706 -1.145 3.831 804 3HG1 VAL 108 HG13 VAL 108 17.299 -2.135 2.488 805 1HG2 VAL 108 HG21 VAL 108 14.777 -1.787 5.089 806 2HG2 VAL 108 HG22 VAL 108 13.770 -1.357 3.694 807 3HG2 VAL 108 HG23 VAL 108 13.592 -2.942 4.473 808 H ILE 109 H ILE 109 15.779 -2.372 -0.206 809 HA ILE 109 HA ILE 109 17.384 -4.797 -0.887 810 HB ILE 109 HB ILE 109 15.816 -2.994 -2.764 811 1HG1 ILE 109 HG12 ILE 109 14.752 -5.765 -2.302 812 2HG1 ILE 109 HG13 ILE 109 14.323 -4.537 -1.122 813 1HG2 ILE 109 HG21 ILE 109 16.063 -4.919 -4.377 814 2HG2 ILE 109 HG22 ILE 109 17.597 -4.202 -3.912 815 3HG2 ILE 109 HG23 ILE 109 17.080 -5.739 -3.182 816 1HD1 ILE 109 HD11 ILE 109 12.690 -4.738 -2.991 817 2HD1 ILE 109 HD12 ILE 109 13.316 -3.108 -2.706 818 3HD1 ILE 109 HD13 ILE 109 13.942 -4.048 -4.076 819 H PHE 110 H PHE 110 19.294 -4.280 -2.173 820 HA PHE 110 HA PHE 110 19.875 -1.412 -2.595 821 1HB PHE 110 HB2 PHE 110 21.095 -2.510 -0.560 822 2HB PHE 110 HB3 PHE 110 22.032 -3.363 -1.787 823 HD1 PHE 110 HD1 PHE 110 23.275 -1.860 -3.581 824 HD2 PHE 110 HD2 PHE 110 21.762 -0.403 0.192 825 HE1 PHE 110 HE1 PHE 110 24.621 0.198 -3.830 826 HE2 PHE 110 HE2 PHE 110 23.197 1.604 -0.017 827 HZ PHE 110 HZ PHE 110 24.573 1.945 -2.049 828 H LEU 111 H LEU 111 20.786 -1.057 -4.609 829 HA LEU 111 HA LEU 111 21.529 -3.405 -6.265 830 1HB LEU 111 HB2 LEU 111 19.398 -2.632 -6.998 831 2HB LEU 111 HB3 LEU 111 19.895 -0.943 -6.972 832 HG LEU 111 HG LEU 111 21.380 -2.872 -8.757 833 1HD1 LEU 111 HD11 LEU 111 19.009 -3.340 -9.212 834 2HD1 LEU 111 HD12 LEU 111 18.682 -1.604 -9.412 835 3HD1 LEU 111 HD13 LEU 111 19.725 -2.465 -10.563 836 1HD2 LEU 111 HD21 LEU 111 21.486 -0.849 -10.243 837 2HD2 LEU 111 HD22 LEU 111 20.603 0.074 -9.023 838 3HD2 LEU 111 HD23 LEU 111 22.236 -0.550 -8.692 839 H GLY 112 H GLY 112 23.542 -3.222 -7.074 840 1HA GLY 112 HA2 GLY 112 25.053 -0.685 -6.597 841 2HA GLY 112 HA3 GLY 112 25.739 -2.298 -6.472 842 H ILE 113 H ILE 113 26.612 -0.155 -8.183 843 HA ILE 113 HA ILE 113 26.375 -1.447 -10.858 844 HB ILE 113 HB ILE 113 26.434 1.526 -10.183 845 1HG1 ILE 113 HG12 ILE 113 24.223 0.008 -11.628 846 2HG1 ILE 113 HG13 ILE 113 24.185 0.336 -9.898 847 1HG2 ILE 113 HG21 ILE 113 26.292 1.908 -12.630 848 2HG2 ILE 113 HG22 ILE 113 27.762 1.058 -12.206 849 3HG2 ILE 113 HG23 ILE 113 26.410 0.150 -12.906 850 1HD1 ILE 113 HD11 ILE 113 24.189 2.435 -12.080 851 2HD1 ILE 113 HD12 ILE 113 22.880 2.014 -10.960 852 3HD1 ILE 113 HD13 ILE 113 24.361 2.755 -10.331 853 H GLN 114 H GLN 114 28.415 -2.103 -11.500 854 HA GLN 114 HA GLN 114 30.741 -1.670 -9.973 855 1HB GLN 114 HB2 GLN 114 30.443 -3.559 -11.483 856 2HB GLN 114 HB3 GLN 114 30.371 -2.483 -12.873 857 1HG GLN 114 HG2 GLN 114 32.550 -3.540 -12.736 858 2HG GLN 114 HG3 GLN 114 32.733 -1.817 -12.510 859 1HE2 GLN 114 HE22 GLN 114 34.189 -1.325 -10.866 860 2HE2 GLN 114 HE21 GLN 114 34.536 -2.410 -9.502 861 HA PRO 115 HA PRO 115 31.793 2.445 -11.775 862 1HB PRO 115 HB2 PRO 115 33.664 3.224 -9.989 863 2HB PRO 115 HB3 PRO 115 31.927 3.209 -9.560 864 1HG PRO 115 HG2 PRO 115 34.002 1.070 -8.967 865 2HG PRO 115 HG3 PRO 115 32.847 1.834 -7.826 866 1HD PRO 115 HD2 PRO 115 32.330 -0.545 -9.075 867 2HD PRO 115 HD3 PRO 115 31.045 0.629 -8.693 868 H ASP 116 H ASP 116 33.895 3.351 -12.539 869 HA ASP 116 HA ASP 116 36.077 1.363 -12.962 870 1HB ASP 116 HB2 ASP 116 34.783 1.719 -15.055 871 2HB ASP 116 HB3 ASP 116 35.064 3.451 -14.929 872 H ILE 117 H ILE 117 35.060 4.786 -12.448 873 HA ILE 117 HA ILE 117 37.749 5.299 -11.315 874 HB ILE 117 HB ILE 117 38.126 7.277 -12.414 875 1HG1 ILE 117 HG12 ILE 117 36.330 8.182 -14.166 876 2HG1 ILE 117 HG13 ILE 117 35.191 7.395 -13.072 877 1HG2 ILE 117 HG21 ILE 117 38.475 5.372 -13.954 878 2HG2 ILE 117 HG22 ILE 117 36.853 5.645 -14.643 879 3HG2 ILE 117 HG23 ILE 117 38.108 6.882 -14.798 880 1HD1 ILE 117 HD11 ILE 117 35.477 9.730 -12.491 881 2HD1 ILE 117 HD12 ILE 117 36.249 8.795 -11.200 882 3HD1 ILE 117 HD13 ILE 117 37.244 9.559 -12.450 883 H VAL 118 H VAL 118 37.686 6.416 -9.395 884 HA VAL 118 HA VAL 118 35.227 7.831 -8.602 885 HB VAL 118 HB VAL 118 36.524 5.598 -6.974 886 1HG1 VAL 118 HG11 VAL 118 35.936 7.431 -5.461 887 2HG1 VAL 118 HG12 VAL 118 34.317 7.547 -6.182 888 3HG1 VAL 118 HG13 VAL 118 34.788 6.109 -5.253 889 1HG2 VAL 118 HG21 VAL 118 34.938 4.687 -8.603 890 2HG2 VAL 118 HG22 VAL 118 34.241 4.587 -6.988 891 3HG2 VAL 118 HG23 VAL 118 33.699 5.860 -8.105 892 H GLY 119 H GLY 119 35.777 9.695 -7.587 893 1HA GLY 119 HA2 GLY 119 37.724 10.337 -5.818 894 2HA GLY 119 HA3 GLY 119 38.581 10.489 -7.365 895 H PHE 120 H PHE 120 37.858 12.686 -5.523 896 HA PHE 120 HA PHE 120 35.467 13.976 -6.352 897 1HB PHE 120 HB2 PHE 120 37.944 15.057 -4.969 898 2HB PHE 120 HB3 PHE 120 36.449 15.953 -5.186 899 HD1 PHE 120 HD1 PHE 120 34.239 14.891 -4.286 900 HD2 PHE 120 HD2 PHE 120 38.189 13.700 -3.005 901 HE1 PHE 120 HE1 PHE 120 33.280 13.919 -2.217 902 HE2 PHE 120 HE2 PHE 120 37.219 12.734 -0.936 903 HZ PHE 120 HZ PHE 120 34.765 12.842 -0.537 904 H TYR 121 H TYR 121 35.134 15.726 -7.537 905 HA TYR 121 HA TYR 121 35.097 17.027 -9.317 906 1HB TYR 121 HB2 TYR 121 38.095 17.367 -8.994 907 2HB TYR 121 HB3 TYR 121 36.994 18.438 -9.845 908 HD1 TYR 121 HD1 TYR 121 35.158 19.652 -8.516 909 HD2 TYR 121 HD2 TYR 121 38.466 17.617 -6.635 910 HE1 TYR 121 HE1 TYR 121 34.739 20.912 -6.426 911 HE2 TYR 121 HE2 TYR 121 38.053 18.864 -4.539 912 HH TYR 121 HH TYR 121 36.729 20.454 -3.464 913 H TYR 122 H TYR 122 35.098 14.286 -9.822 914 HA TYR 122 HA TYR 122 36.253 14.272 -12.570 915 1HB TYR 122 HB2 TYR 122 35.835 11.870 -10.766 916 2HB TYR 122 HB3 TYR 122 36.331 11.834 -12.448 917 HD1 TYR 122 HD1 TYR 122 37.639 10.525 -10.030 918 HD2 TYR 122 HD2 TYR 122 38.474 14.155 -12.206 919 HE1 TYR 122 HE1 TYR 122 40.029 10.276 -9.503 920 HE2 TYR 122 HE2 TYR 122 40.857 13.960 -11.626 921 HH TYR 122 HH TYR 122 42.496 12.695 -10.546 922 HA PRO 123 HA PRO 123 31.945 13.560 -13.556 923 1HB PRO 123 HB2 PRO 123 32.075 12.897 -16.171 924 2HB PRO 123 HB3 PRO 123 32.590 14.516 -15.603 925 1HG PRO 123 HG2 PRO 123 34.332 12.099 -16.180 926 2HG PRO 123 HG3 PRO 123 34.561 13.785 -16.745 927 1HD PRO 123 HD2 PRO 123 35.813 12.726 -14.521 928 2HD PRO 123 HD3 PRO 123 35.391 14.464 -14.667 929 H MET 124 H MET 124 30.464 11.823 -14.235 930 HA MET 124 HA MET 124 31.269 9.109 -13.518 931 1HB MET 124 HB2 MET 124 29.025 10.066 -13.051 932 2HB MET 124 HB3 MET 124 28.738 10.254 -14.787 933 1HG MET 124 HG2 MET 124 29.000 7.765 -15.040 934 2HG MET 124 HG3 MET 124 29.136 7.634 -13.292 935 1HE MET 124 HE1 MET 124 27.274 8.218 -11.607 936 2HE MET 124 HE2 MET 124 26.939 9.839 -12.269 937 3HE MET 124 HE3 MET 124 25.613 8.693 -12.040 938 H THR 125 H THR 125 31.731 7.496 -14.990 939 HA THR 125 HA THR 125 32.564 8.303 -17.670 940 HB THR 125 HB THR 125 33.403 5.978 -17.768 941 HG1 THR 125 HG1 THR 125 32.384 5.766 -15.116 942 1HG2 THR 125 HG21 THR 125 35.087 6.086 -16.039 943 2HG2 THR 125 HG22 THR 125 34.848 7.694 -16.749 944 3HG2 THR 125 HG23 THR 125 34.159 7.318 -15.153 945 H GLN 126 H GLN 126 31.904 7.078 -19.618 946 HA GLN 126 HA GLN 126 29.186 7.116 -20.046 947 1HB GLN 126 HB2 GLN 126 30.877 7.303 -21.785 948 2HB GLN 126 HB3 GLN 126 31.374 5.630 -21.539 949 1HG GLN 126 HG2 GLN 126 30.022 5.804 -23.522 950 2HG GLN 126 HG3 GLN 126 29.172 4.838 -22.328 951 1HE2 GLN 126 HE22 GLN 126 27.271 5.822 -21.228 952 2HE2 GLN 126 HE21 GLN 126 26.428 7.151 -22.002 953 HA PRO 127 HA PRO 127 28.751 2.430 -19.699 954 1HB PRO 127 HB2 PRO 127 30.299 0.950 -17.941 955 2HB PRO 127 HB3 PRO 127 30.610 1.139 -19.691 956 1HG PRO 127 HG2 PRO 127 31.872 2.632 -17.395 957 2HG PRO 127 HG3 PRO 127 32.654 1.975 -18.861 958 1HD PRO 127 HD2 PRO 127 32.009 4.588 -18.581 959 2HD PRO 127 HD3 PRO 127 31.917 3.779 -20.169 960 H ILE 128 H ILE 128 29.736 4.256 -16.763 961 HA ILE 128 HA ILE 128 27.676 2.909 -15.175 962 HB ILE 128 HB ILE 128 29.592 5.172 -14.577 963 1HG1 ILE 128 HG12 ILE 128 30.450 3.591 -12.894 964 2HG1 ILE 128 HG13 ILE 128 29.268 2.381 -13.352 965 1HG2 ILE 128 HG21 ILE 128 28.803 5.170 -12.262 966 2HG2 ILE 128 HG22 ILE 128 27.444 5.548 -13.306 967 3HG2 ILE 128 HG23 ILE 128 27.587 3.927 -12.628 968 1HD1 ILE 128 HD11 ILE 128 30.411 1.917 -15.398 969 2HD1 ILE 128 HD12 ILE 128 31.411 3.380 -15.237 970 3HD1 ILE 128 HD13 ILE 128 31.654 2.024 -14.145 971 H LYS 129 H LYS 129 28.032 5.991 -16.953 972 HA LYS 129 HA LYS 129 25.472 7.079 -16.289 973 1HB LYS 129 HB2 LYS 129 27.103 7.233 -18.860 974 2HB LYS 129 HB3 LYS 129 25.549 8.041 -18.665 975 1HG LYS 129 HG2 LYS 129 26.395 9.346 -16.781 976 2HG LYS 129 HG3 LYS 129 27.975 8.545 -16.906 977 1HD LYS 129 HD2 LYS 129 28.311 9.448 -19.156 978 2HD LYS 129 HD3 LYS 129 26.687 10.177 -19.138 979 1HE LYS 129 HE2 LYS 129 27.321 11.577 -17.206 980 2HE LYS 129 HE3 LYS 129 28.930 10.842 -17.183 981 1HZ LYS 129 HZ1 LYS 129 27.843 12.464 -19.415 982 2HZ LYS 129 HZ2 LYS 129 28.935 12.976 -18.323 983 3HZ LYS 129 HZ3 LYS 129 29.337 11.798 -19.372 984 H ASP 130 H ASP 130 26.397 4.727 -18.835 985 HA ASP 130 HA ASP 130 23.765 4.350 -19.850 986 1HB ASP 130 HB2 ASP 130 25.764 3.679 -21.088 987 2HB ASP 130 HB3 ASP 130 26.173 2.496 -19.845 988 H ALA 131 H ALA 131 25.539 2.686 -17.234 989 HA ALA 131 HA ALA 131 23.518 0.753 -16.691 990 1HB ALA 131 HB1 ALA 131 25.559 1.992 -14.807 991 2HB ALA 131 HB2 ALA 131 24.629 0.511 -14.510 992 3HB ALA 131 HB3 ALA 131 25.811 0.566 -15.839 993 H VAL 132 H VAL 132 24.066 4.051 -15.260 994 HA VAL 132 HA VAL 132 21.837 3.906 -13.493 995 HB VAL 132 HB VAL 132 23.345 6.258 -14.704 996 1HG1 VAL 132 HG11 VAL 132 22.293 7.556 -12.747 997 2HG1 VAL 132 HG12 VAL 132 21.212 7.194 -14.105 998 3HG1 VAL 132 HG13 VAL 132 21.132 6.229 -12.620 999 1HG2 VAL 132 HG21 VAL 132 24.603 4.777 -13.087 1000 2HG2 VAL 132 HG22 VAL 132 24.371 6.428 -12.507 1001 3HG2 VAL 132 HG23 VAL 132 23.358 5.114 -11.871 1002 H GLU 133 H GLU 133 22.074 5.005 -16.934 1003 HA GLU 133 HA GLU 133 19.340 5.792 -17.156 1004 1HB GLU 133 HB2 GLU 133 21.024 6.411 -18.806 1005 2HB GLU 133 HB3 GLU 133 21.337 4.726 -19.193 1006 1HG GLU 133 HG2 GLU 133 19.996 5.789 -20.927 1007 2HG GLU 133 HG3 GLU 133 19.132 4.455 -20.177 1008 H THR 134 H THR 134 20.947 2.596 -17.589 1009 HA THR 134 HA THR 134 18.622 1.204 -18.451 1010 HB THR 134 HB THR 134 21.040 0.152 -16.913 1011 HG1 THR 134 HG1 THR 134 21.666 1.186 -18.797 1012 1HG2 THR 134 HG21 THR 134 19.238 -1.515 -16.964 1013 2HG2 THR 134 HG22 THR 134 19.042 -1.286 -18.715 1014 3HG2 THR 134 HG23 THR 134 20.540 -1.989 -18.060 1015 H VAL 135 H VAL 135 19.995 1.644 -15.122 1016 HA VAL 135 HA VAL 135 17.936 0.227 -13.766 1017 HB VAL 135 HB VAL 135 19.790 2.481 -12.884 1018 1HG1 VAL 135 HG11 VAL 135 19.310 1.747 -10.548 1019 2HG1 VAL 135 HG12 VAL 135 17.893 2.456 -11.322 1020 3HG1 VAL 135 HG13 VAL 135 18.016 0.692 -11.157 1021 1HG2 VAL 135 HG21 VAL 135 19.884 -0.523 -12.337 1022 2HG2 VAL 135 HG22 VAL 135 20.869 0.300 -13.554 1023 3HG2 VAL 135 HG23 VAL 135 21.088 0.699 -11.857 1024 H TYR 136 H TYR 136 18.207 3.719 -14.662 1025 HA TYR 136 HA TYR 136 15.851 4.600 -13.429 1026 1HB TYR 136 HB2 TYR 136 17.410 6.196 -14.321 1027 2HB TYR 136 HB3 TYR 136 17.307 5.508 -15.930 1028 HD1 TYR 136 HD1 TYR 136 15.939 6.528 -17.518 1029 HD2 TYR 136 HD2 TYR 136 15.034 7.005 -13.325 1030 HE1 TYR 136 HE1 TYR 136 14.012 7.974 -18.099 1031 HE2 TYR 136 HE2 TYR 136 13.111 8.448 -13.899 1032 HH TYR 136 HH TYR 136 11.851 9.359 -15.581 1033 H GLN 137 H GLN 137 16.229 3.248 -16.796 1034 HA GLN 137 HA GLN 137 13.393 3.387 -17.262 1035 1HB GLN 137 HB2 GLN 137 15.473 1.571 -18.545 1036 2HB GLN 137 HB3 GLN 137 13.823 1.798 -19.122 1037 1HG GLN 137 HG2 GLN 137 15.997 3.921 -19.012 1038 2HG GLN 137 HG3 GLN 137 15.405 3.110 -20.447 1039 1HE2 GLN 137 HE22 GLN 137 15.506 5.913 -20.215 1040 2HE2 GLN 137 HE21 GLN 137 13.851 6.515 -20.259 1041 H ARG 138 H ARG 138 15.469 0.880 -15.835 1042 HA ARG 138 HA ARG 138 13.507 -1.163 -15.828 1043 1HB ARG 138 HB2 ARG 138 16.171 -1.094 -15.151 1044 2HB ARG 138 HB3 ARG 138 15.457 -1.106 -13.547 1045 1HG ARG 138 HG2 ARG 138 15.814 -3.371 -14.099 1046 2HG ARG 138 HG3 ARG 138 14.084 -3.156 -14.347 1047 1HD ARG 138 HD2 ARG 138 14.405 -3.011 -16.765 1048 2HD ARG 138 HD3 ARG 138 16.168 -2.925 -16.573 1049 HE ARG 138 HE ARG 138 15.442 -5.289 -15.322 1050 1HH1 ARG 138 HH21 ARG 138 15.220 -4.047 -18.651 1051 2HH1 ARG 138 HH22 ARG 138 15.266 -5.616 -19.366 1052 1HH2 ARG 138 HH11 ARG 138 15.453 -7.273 -16.207 1053 2HH2 ARG 138 HH12 ARG 138 15.421 -7.542 -17.928 1054 H LEU 139 H LEU 139 13.955 1.523 -13.568 1055 HA LEU 139 HA LEU 139 12.385 0.577 -11.434 1056 1HB LEU 139 HB2 LEU 139 12.702 3.373 -12.569 1057 2HB LEU 139 HB3 LEU 139 11.819 3.057 -11.096 1058 HG LEU 139 HG LEU 139 14.773 2.466 -11.472 1059 1HD1 LEU 139 HD11 LEU 139 15.060 4.428 -9.984 1060 2HD1 LEU 139 HD12 LEU 139 14.273 4.864 -11.511 1061 3HD1 LEU 139 HD13 LEU 139 13.307 4.714 -10.032 1062 1HD2 LEU 139 HD21 LEU 139 13.086 2.415 -8.937 1063 2HD2 LEU 139 HD22 LEU 139 13.754 0.983 -9.755 1064 3HD2 LEU 139 HD23 LEU 139 14.840 2.175 -9.043 1065 H GLU 140 H GLU 140 11.278 1.450 -14.655 1066 HA GLU 140 HA GLU 140 8.523 1.914 -13.811 1067 1HB GLU 140 HB2 GLU 140 9.806 2.975 -15.738 1068 2HB GLU 140 HB3 GLU 140 9.612 1.448 -16.611 1069 1HG GLU 140 HG2 GLU 140 7.118 1.737 -16.415 1070 2HG GLU 140 HG3 GLU 140 7.391 3.275 -15.588 1071 H GLY 141 H GLY 141 10.424 -0.904 -14.348 1072 1HA GLY 141 HA2 GLY 141 8.002 -2.598 -14.871 1073 2HA GLY 141 HA3 GLY 141 9.511 -2.768 -15.770 1074 H TRP 142 H TRP 142 10.821 -2.144 -12.903 1075 HA TRP 142 HA TRP 142 11.428 -4.728 -12.034 1076 1HB TRP 142 HB2 TRP 142 12.700 -2.719 -11.471 1077 2HB TRP 142 HB3 TRP 142 11.334 -2.051 -10.591 1078 HD1 TRP 142 HD1 TRP 142 14.421 -4.025 -10.109 1079 HE1 TRP 142 HE1 TRP 142 14.639 -4.805 -7.670 1080 HE3 TRP 142 HE3 TRP 142 9.689 -2.934 -8.423 1081 HZ2 TRP 142 HZ2 TRP 142 12.928 -5.274 -5.466 1082 HZ3 TRP 142 HZ3 TRP 142 9.025 -3.559 -6.131 1083 HH2 TRP 142 HH2 TRP 142 10.621 -4.737 -4.627 1084 H GLU 143 H GLU 143 10.499 -6.094 -10.589 1085 HA GLU 143 HA GLU 143 8.047 -5.331 -9.120 1086 1HB GLU 143 HB2 GLU 143 6.809 -7.237 -9.999 1087 2HB GLU 143 HB3 GLU 143 7.305 -6.165 -11.300 1088 1HG GLU 143 HG2 GLU 143 9.150 -7.694 -11.909 1089 2HG GLU 143 HG3 GLU 143 8.743 -8.756 -10.564 1090 H GLY 144 H GLY 144 10.981 -6.226 -8.505 1091 1HA GLY 144 HA2 GLY 144 10.774 -7.294 -6.073 1092 2HA GLY 144 HA3 GLY 144 10.607 -8.762 -7.053 1093 H ASN 145 H ASN 145 12.356 -8.055 -9.164 1094 HA ASN 145 HA ASN 145 15.057 -7.723 -7.957 1095 1HB ASN 145 HB2 ASN 145 14.860 -10.016 -7.688 1096 2HB ASN 145 HB3 ASN 145 13.834 -10.225 -9.110 1097 1HD2 ASN 145 HD22 ASN 145 17.210 -10.011 -8.011 1098 2HD2 ASN 145 HD21 ASN 145 17.882 -10.426 -9.585 1099 H GLY 146 H GLY 146 12.929 -7.359 -10.717 1100 1HA GLY 146 HA2 GLY 146 13.225 -6.157 -12.635 1101 2HA GLY 146 HA3 GLY 146 14.770 -5.586 -11.989 1102 H GLY 147 H GLY 147 14.766 -9.004 -12.065 1103 1HA GLY 147 HA2 GLY 147 15.622 -10.552 -13.516 1104 2HA GLY 147 HA3 GLY 147 15.632 -9.363 -14.825 1105 H PHE 148 H PHE 148 17.208 -8.041 -11.993 1106 HA PHE 148 HA PHE 148 19.795 -8.240 -13.285 1107 1HB PHE 148 HB2 PHE 148 18.901 -7.196 -10.579 1108 2HB PHE 148 HB3 PHE 148 20.547 -7.079 -11.192 1109 HD1 PHE 148 HD1 PHE 148 20.705 -6.049 -13.695 1110 HD2 PHE 148 HD2 PHE 148 17.515 -5.348 -10.892 1111 HE1 PHE 148 HE1 PHE 148 20.142 -3.931 -14.868 1112 HE2 PHE 148 HE2 PHE 148 17.019 -3.172 -11.995 1113 HZ PHE 148 HZ PHE 148 18.328 -2.469 -13.997 1114 H ALA 149 H ALA 149 21.636 -9.122 -12.149 1115 HA ALA 149 HA ALA 149 21.068 -11.772 -10.921 1116 1HB ALA 149 HB1 ALA 149 23.536 -12.085 -11.110 1117 2HB ALA 149 HB2 ALA 149 22.782 -11.748 -12.681 1118 3HB ALA 149 HB3 ALA 149 23.681 -10.471 -11.837 1119 H GLN 150 H GLN 150 21.659 -12.272 -8.872 1120 HA GLN 150 HA GLN 150 22.090 -10.051 -7.000 1121 1HB GLN 150 HB2 GLN 150 20.534 -12.159 -6.739 1122 2HB GLN 150 HB3 GLN 150 22.016 -13.003 -6.272 1123 1HG GLN 150 HG2 GLN 150 20.986 -10.433 -4.989 1124 2HG GLN 150 HG3 GLN 150 20.550 -12.041 -4.423 1125 1HE2 GLN 150 HE22 GLN 150 23.087 -9.605 -4.470 1126 2HE2 GLN 150 HE21 GLN 150 24.296 -10.563 -3.624 1127 H LEU 151 H LEU 151 24.138 -9.445 -6.454 1128 HA LEU 151 HA LEU 151 26.484 -10.468 -7.612 1129 1HB LEU 151 HB2 LEU 151 26.307 -8.224 -6.581 1130 2HB LEU 151 HB3 LEU 151 26.045 -8.957 -5.000 1131 HG LEU 151 HG LEU 151 28.356 -9.922 -5.076 1132 1HD1 LEU 151 HD11 LEU 151 28.676 -10.061 -7.543 1133 2HD1 LEU 151 HD12 LEU 151 28.632 -8.292 -7.638 1134 3HD1 LEU 151 HD13 LEU 151 29.951 -9.109 -6.774 1135 1HD2 LEU 151 HD21 LEU 151 28.055 -6.924 -5.477 1136 2HD2 LEU 151 HD22 LEU 151 27.935 -7.818 -3.964 1137 3HD2 LEU 151 HD23 LEU 151 29.499 -7.720 -4.792 1138 H ALA 152 H ALA 152 27.422 -12.383 -7.324 1139 HA ALA 152 HA ALA 152 27.981 -13.342 -4.600 1140 1HB ALA 152 HB1 ALA 152 25.849 -14.476 -5.217 1141 2HB ALA 152 HB2 ALA 152 26.611 -15.095 -6.702 1142 3HB ALA 152 HB3 ALA 152 27.190 -15.629 -5.105 1143 H VAL 153 H VAL 153 29.516 -12.025 -6.693 1144 HA VAL 153 HA VAL 153 30.962 -12.112 -8.293 1145 HB VAL 153 HB VAL 153 33.089 -12.837 -7.563 1146 1HG1 VAL 153 HG11 VAL 153 33.253 -11.478 -5.559 1147 2HG1 VAL 153 HG12 VAL 153 32.129 -10.751 -6.714 1148 3HG1 VAL 153 HG13 VAL 153 31.507 -11.612 -5.287 1149 1HG2 VAL 153 HG21 VAL 153 31.789 -14.121 -5.120 1150 2HG2 VAL 153 HG22 VAL 153 32.538 -15.017 -6.457 1151 3HG2 VAL 153 HG23 VAL 153 33.526 -13.961 -5.439 1152 H GLU 154 H GLU 154 28.956 -13.917 -8.784 1153 HA GLU 154 HA GLU 154 28.322 -15.699 -10.061 1154 1HB GLU 154 HB2 GLU 154 29.939 -13.783 -11.769 1155 2HB GLU 154 HB3 GLU 154 28.839 -15.005 -12.417 1156 1HG GLU 154 HG2 GLU 154 27.620 -12.986 -12.360 1157 2HG GLU 154 HG3 GLU 154 26.959 -14.020 -11.099 1158 H GLU 155 H GLU 155 29.963 -17.073 -8.656 1159 HA GLU 155 HA GLU 155 31.186 -18.878 -10.647 1160 1HB GLU 155 HB2 GLU 155 33.096 -19.329 -9.194 1161 2HB GLU 155 HB3 GLU 155 33.044 -17.633 -9.653 1162 1HG GLU 155 HG2 GLU 155 32.134 -17.020 -7.447 1163 2HG GLU 155 HG3 GLU 155 32.048 -18.711 -6.976 1164 H GLU 156 H GLU 156 28.609 -18.761 -9.339 1165 HA GLU 156 HA GLU 156 28.424 -21.514 -8.394 1166 1HB GLU 156 HB2 GLU 156 28.755 -20.229 -6.289 1167 2HB GLU 156 HB3 GLU 156 27.399 -19.176 -6.711 1168 1HG GLU 156 HG2 GLU 156 25.858 -21.110 -6.632 1169 2HG GLU 156 HG3 GLU 156 27.212 -22.195 -6.311 Start of MODEL 20 1 1H MET 1 H1 MET 1 0.015 1.829 0.602 2 2H MET 1 H2 MET 1 -0.382 1.793 -0.982 3 3H MET 1 H3 MET 1 -0.461 0.420 -0.085 4 HA MET 1 HA MET 1 1.908 0.441 0.254 5 1HB MET 1 HB2 MET 1 1.024 -0.860 -1.632 6 2HB MET 1 HB3 MET 1 1.093 0.557 -2.685 7 1HG MET 1 HG2 MET 1 3.542 0.635 -2.461 8 2HG MET 1 HG3 MET 1 3.507 -0.730 -1.349 9 1HE MET 1 HE1 MET 1 1.739 -2.955 -2.472 10 2HE MET 1 HE2 MET 1 2.832 -3.793 -3.592 11 3HE MET 1 HE3 MET 1 3.445 -3.213 -2.031 12 H THR 2 H THR 2 3.809 1.565 0.292 13 HA THR 2 HA THR 2 4.123 3.978 -1.391 14 HB THR 2 HB THR 2 4.904 3.876 1.558 15 HG1 THR 2 HG1 THR 2 2.696 4.102 1.413 16 1HG2 THR 2 HG21 THR 2 5.314 6.320 1.240 17 2HG2 THR 2 HG22 THR 2 6.389 5.329 0.246 18 3HG2 THR 2 HG23 THR 2 4.991 6.134 -0.499 19 H ASP 3 H ASP 3 6.252 4.057 -2.227 20 HA ASP 3 HA ASP 3 8.116 1.887 -1.436 21 1HB ASP 3 HB2 ASP 3 6.501 1.124 -3.229 22 2HB ASP 3 HB3 ASP 3 7.147 2.383 -4.282 23 H VAL 4 H VAL 4 10.068 2.861 -1.170 24 HA VAL 4 HA VAL 4 10.424 5.559 -2.336 25 HB VAL 4 HB VAL 4 12.115 5.662 -0.377 26 1HG1 VAL 4 HG11 VAL 4 10.322 6.354 1.224 27 2HG1 VAL 4 HG12 VAL 4 10.175 7.073 -0.381 28 3HG1 VAL 4 HG13 VAL 4 9.108 5.723 0.088 29 1HG2 VAL 4 HG21 VAL 4 11.890 3.222 0.207 30 2HG2 VAL 4 HG22 VAL 4 11.696 4.344 1.560 31 3HG2 VAL 4 HG23 VAL 4 10.281 3.570 0.814 32 H LEU 5 H LEU 5 12.379 6.169 -3.166 33 HA LEU 5 HA LEU 5 14.276 3.956 -3.880 34 1HB LEU 5 HB2 LEU 5 12.961 4.674 -5.850 35 2HB LEU 5 HB3 LEU 5 13.372 6.354 -5.528 36 HG LEU 5 HG LEU 5 15.820 5.757 -5.879 37 1HD1 LEU 5 HD11 LEU 5 14.633 3.103 -6.804 38 2HD1 LEU 5 HD12 LEU 5 16.291 3.652 -7.130 39 3HD1 LEU 5 HD13 LEU 5 15.780 3.351 -5.469 40 1HD2 LEU 5 HD21 LEU 5 15.592 5.680 -8.336 41 2HD2 LEU 5 HD22 LEU 5 13.889 5.202 -8.170 42 3HD2 LEU 5 HD23 LEU 5 14.431 6.803 -7.629 43 H LEU 6 H LEU 6 15.971 4.326 -2.508 44 HA LEU 6 HA LEU 6 16.619 7.127 -1.770 45 1HB LEU 6 HB2 LEU 6 16.325 5.593 0.103 46 2HB LEU 6 HB3 LEU 6 17.560 4.507 -0.562 47 HG LEU 6 HG LEU 6 19.258 6.350 -0.313 48 1HD1 LEU 6 HD11 LEU 6 17.855 8.336 -0.436 49 2HD1 LEU 6 HD12 LEU 6 16.976 7.837 1.033 50 3HD1 LEU 6 HD13 LEU 6 18.686 8.308 1.115 51 1HD2 LEU 6 HD21 LEU 6 17.719 5.356 2.096 52 2HD2 LEU 6 HD22 LEU 6 19.265 4.793 1.437 53 3HD2 LEU 6 HD23 LEU 6 19.180 6.348 2.261 54 H CYS 7 H CYS 7 17.709 7.925 -3.443 55 HA CYS 7 HA CYS 7 19.911 6.509 -4.774 56 1HB CYS 7 HB2 CYS 7 18.896 9.390 -4.740 57 2HB CYS 7 HB3 CYS 7 20.225 8.820 -5.746 58 HG CYS 7 HG CYS 7 17.102 7.715 -5.611 59 H VAL 8 H VAL 8 22.086 6.678 -4.191 60 HA VAL 8 HA VAL 8 22.900 8.549 -2.039 61 HB VAL 8 HB VAL 8 23.513 5.559 -2.198 62 1HG1 VAL 8 HG11 VAL 8 24.583 5.850 -0.004 63 2HG1 VAL 8 HG12 VAL 8 25.395 6.806 -1.235 64 3HG1 VAL 8 HG13 VAL 8 24.295 7.606 -0.091 65 1HG2 VAL 8 HG21 VAL 8 21.656 7.059 -0.340 66 2HG2 VAL 8 HG22 VAL 8 21.271 5.715 -1.431 67 3HG2 VAL 8 HG23 VAL 8 22.269 5.419 -0.011 68 H GLY 9 H GLY 9 25.006 9.356 -2.379 69 1HA GLY 9 HA2 GLY 9 27.238 8.444 -3.459 70 2HA GLY 9 HA3 GLY 9 26.314 8.693 -4.944 71 H ASN 10 H ASN 10 28.577 10.113 -4.821 72 HA ASN 10 HA ASN 10 27.682 12.918 -4.231 73 1HB ASN 10 HB2 ASN 10 29.559 12.307 -2.828 74 2HB ASN 10 HB3 ASN 10 30.458 11.692 -4.198 75 1HD2 ASN 10 HD22 ASN 10 30.441 14.253 -2.148 76 2HD2 ASN 10 HD21 ASN 10 31.048 15.487 -3.219 77 H SER 11 H SER 11 27.243 14.035 -5.982 78 HA SER 11 HA SER 11 27.160 13.028 -8.502 79 1HB SER 11 HB2 SER 11 27.288 15.993 -7.910 80 2HB SER 11 HB3 SER 11 26.239 15.137 -9.054 81 HG SER 11 HG SER 11 25.144 15.801 -7.135 82 H MET 12 H MET 12 30.069 14.344 -7.119 83 HA MET 12 HA MET 12 31.229 14.686 -9.843 84 1HB MET 12 HB2 MET 12 32.555 16.554 -9.061 85 2HB MET 12 HB3 MET 12 30.838 16.917 -8.895 86 1HG MET 12 HG2 MET 12 30.926 16.571 -6.502 87 2HG MET 12 HG3 MET 12 32.562 15.913 -6.597 88 1HE MET 12 HE1 MET 12 33.171 19.194 -4.612 89 2HE MET 12 HE2 MET 12 31.775 18.101 -4.497 90 3HE MET 12 HE3 MET 12 33.416 17.435 -4.673 91 H MET 13 H MET 13 31.185 12.498 -7.534 92 HA MET 13 HA MET 13 34.105 12.374 -7.141 93 1HB MET 13 HB2 MET 13 32.704 12.408 -5.180 94 2HB MET 13 HB3 MET 13 31.922 10.908 -5.683 95 1HG MET 13 HG2 MET 13 34.027 9.704 -5.425 96 2HG MET 13 HG3 MET 13 34.897 11.222 -5.149 97 1HE MET 13 HE1 MET 13 35.055 9.268 -1.761 98 2HE MET 13 HE2 MET 13 34.965 8.554 -3.390 99 3HE MET 13 HE3 MET 13 35.975 9.991 -3.106 100 H GLY 14 H GLY 14 33.043 11.920 -9.768 101 1HA GLY 14 HA2 GLY 14 33.595 10.508 -11.475 102 2HA GLY 14 HA3 GLY 14 34.241 9.342 -10.308 103 H ASP 15 H ASP 15 33.231 7.526 -10.907 104 HA ASP 15 HA ASP 15 30.531 7.278 -11.794 105 1HB ASP 15 HB2 ASP 15 32.490 5.265 -10.654 106 2HB ASP 15 HB3 ASP 15 30.931 4.831 -11.330 107 H ASP 16 H ASP 16 31.798 7.750 -8.633 108 HA ASP 16 HA ASP 16 29.912 6.412 -6.998 109 1HB ASP 16 HB2 ASP 16 32.084 7.465 -6.319 110 2HB ASP 16 HB3 ASP 16 31.331 9.045 -6.551 111 H GLY 17 H GLY 17 29.478 9.166 -9.122 112 1HA GLY 17 HA2 GLY 17 27.279 10.402 -7.724 113 2HA GLY 17 HA3 GLY 17 27.738 10.633 -9.415 114 H ALA 18 H ALA 18 27.040 7.325 -8.319 115 HA ALA 18 HA ALA 18 25.328 6.921 -10.538 116 1HB ALA 18 HB1 ALA 18 25.786 5.306 -8.011 117 2HB ALA 18 HB2 ALA 18 24.873 4.728 -9.418 118 3HB ALA 18 HB3 ALA 18 26.602 5.107 -9.577 119 H GLY 19 H GLY 19 24.510 7.115 -7.021 120 1HA GLY 19 HA2 GLY 19 21.694 6.999 -7.355 121 2HA GLY 19 HA3 GLY 19 22.558 7.688 -5.977 122 HA PRO 20 HA PRO 20 21.812 11.857 -7.147 123 1HB PRO 20 HB2 PRO 20 24.570 12.201 -8.365 124 2HB PRO 20 HB3 PRO 20 23.633 13.351 -7.353 125 1HG PRO 20 HG2 PRO 20 25.550 11.777 -6.228 126 2HG PRO 20 HG3 PRO 20 23.995 12.033 -5.385 127 1HD PRO 20 HD2 PRO 20 24.930 9.629 -6.901 128 2HD PRO 20 HD3 PRO 20 23.871 9.742 -5.473 129 H LEU 21 H LEU 21 23.459 10.185 -9.977 130 HA LEU 21 HA LEU 21 22.118 11.919 -11.862 131 1HB LEU 21 HB2 LEU 21 24.202 10.775 -12.427 132 2HB LEU 21 HB3 LEU 21 23.448 9.205 -12.165 133 HG LEU 21 HG LEU 21 21.903 9.618 -14.083 134 1HD1 LEU 21 HD11 LEU 21 22.399 11.540 -15.628 135 2HD1 LEU 21 HD12 LEU 21 21.730 12.055 -14.080 136 3HD1 LEU 21 HD13 LEU 21 23.473 12.216 -14.387 137 1HD2 LEU 21 HD21 LEU 21 24.045 8.472 -14.445 138 2HD2 LEU 21 HD22 LEU 21 23.570 9.412 -15.867 139 3HD2 LEU 21 HD23 LEU 21 24.833 10.028 -14.776 140 H LEU 22 H LEU 22 21.382 8.732 -10.374 141 HA LEU 22 HA LEU 22 19.088 8.171 -11.972 142 1HB LEU 22 HB2 LEU 22 20.228 6.488 -10.539 143 2HB LEU 22 HB3 LEU 22 19.736 7.366 -9.100 144 HG LEU 22 HG LEU 22 17.381 6.958 -9.567 145 1HD1 LEU 22 HD11 LEU 22 16.775 5.281 -11.382 146 2HD1 LEU 22 HD12 LEU 22 17.284 6.850 -11.998 147 3HD1 LEU 22 HD13 LEU 22 18.412 5.471 -12.037 148 1HD2 LEU 22 HD21 LEU 22 18.638 5.315 -8.242 149 2HD2 LEU 22 HD22 LEU 22 17.404 4.491 -9.211 150 3HD2 LEU 22 HD23 LEU 22 19.100 4.446 -9.725 151 H ALA 23 H ALA 23 19.429 9.799 -8.780 152 HA ALA 23 HA ALA 23 16.724 10.494 -8.400 153 1HB ALA 23 HB1 ALA 23 19.231 12.040 -7.568 154 2HB ALA 23 HB2 ALA 23 17.599 12.275 -6.913 155 3HB ALA 23 HB3 ALA 23 18.448 10.752 -6.632 156 H GLU 24 H GLU 24 19.269 12.254 -10.263 157 HA GLU 24 HA GLU 24 17.676 14.550 -10.806 158 1HB GLU 24 HB2 GLU 24 20.032 14.649 -11.162 159 2HB GLU 24 HB3 GLU 24 20.023 13.261 -12.253 160 1HG GLU 24 HG2 GLU 24 18.850 14.478 -13.965 161 2HG GLU 24 HG3 GLU 24 18.565 15.850 -12.885 162 H LYS 25 H LYS 25 18.137 11.521 -12.638 163 HA LYS 25 HA LYS 25 16.386 12.191 -14.797 164 1HB LYS 25 HB2 LYS 25 17.356 9.579 -13.587 165 2HB LYS 25 HB3 LYS 25 16.294 9.615 -15.010 166 1HG LYS 25 HG2 LYS 25 17.934 10.832 -16.302 167 2HG LYS 25 HG3 LYS 25 18.993 11.022 -14.894 168 1HD LYS 25 HD2 LYS 25 19.280 8.580 -14.739 169 2HD LYS 25 HD3 LYS 25 18.225 8.333 -16.134 170 1HE LYS 25 HE2 LYS 25 20.808 9.965 -16.203 171 2HE LYS 25 HE3 LYS 25 20.725 8.242 -16.599 172 1HZ LYS 25 HZ1 LYS 25 19.222 8.737 -18.394 173 2HZ LYS 25 HZ2 LYS 25 19.241 10.351 -18.058 174 3HZ LYS 25 HZ3 LYS 25 20.596 9.607 -18.585 175 H CYS 26 H CYS 26 15.721 10.385 -11.737 176 HA CYS 26 HA CYS 26 12.957 9.951 -12.325 177 1HB CYS 26 HB2 CYS 26 14.302 10.203 -9.597 178 2HB CYS 26 HB3 CYS 26 12.709 9.495 -9.946 179 HG CYS 26 HG CYS 26 15.699 8.525 -10.946 180 H ALA 27 H ALA 27 14.615 12.666 -10.607 181 HA ALA 27 HA ALA 27 12.246 14.015 -9.878 182 1HB ALA 27 HB1 ALA 27 15.009 15.155 -10.486 183 2HB ALA 27 HB2 ALA 27 13.704 15.996 -9.625 184 3HB ALA 27 HB3 ALA 27 14.440 14.549 -8.911 185 H ALA 28 H ALA 28 14.216 14.163 -12.888 186 HA ALA 28 HA ALA 28 12.777 16.310 -14.072 187 1HB ALA 28 HB1 ALA 28 15.051 15.646 -14.765 188 2HB ALA 28 HB2 ALA 28 14.423 14.094 -15.368 189 3HB ALA 28 HB3 ALA 28 13.927 15.614 -16.137 190 H ALA 29 H ALA 29 12.325 12.791 -14.077 191 HA ALA 29 HA ALA 29 9.657 12.983 -15.310 192 1HB ALA 29 HB1 ALA 29 11.017 12.957 -17.287 193 2HB ALA 29 HB2 ALA 29 12.067 11.690 -16.632 194 3HB ALA 29 HB3 ALA 29 10.379 11.313 -17.070 195 HA PRO 30 HA PRO 30 9.985 9.948 -11.881 196 1HB PRO 30 HB2 PRO 30 6.993 10.169 -12.260 197 2HB PRO 30 HB3 PRO 30 7.928 10.048 -10.735 198 1HG PRO 30 HG2 PRO 30 7.014 12.453 -11.570 199 2HG PRO 30 HG3 PRO 30 8.686 12.307 -10.936 200 1HD PRO 30 HD2 PRO 30 7.773 12.420 -13.818 201 2HD PRO 30 HD3 PRO 30 9.156 13.241 -13.029 202 H LYS 31 H LYS 31 9.084 7.766 -11.509 203 HA LYS 31 HA LYS 31 8.177 6.251 -13.892 204 1HB LYS 31 HB2 LYS 31 10.557 5.619 -12.064 205 2HB LYS 31 HB3 LYS 31 9.810 4.410 -13.078 206 1HG LYS 31 HG2 LYS 31 11.071 6.982 -14.157 207 2HG LYS 31 HG3 LYS 31 11.885 5.429 -14.049 208 1HD LYS 31 HD2 LYS 31 9.981 4.463 -15.479 209 2HD LYS 31 HD3 LYS 31 9.499 6.147 -15.789 210 1HE LYS 31 HE2 LYS 31 11.816 6.578 -16.661 211 2HE LYS 31 HE3 LYS 31 12.208 4.877 -16.378 212 1HZ LYS 31 HZ1 LYS 31 10.287 5.971 -18.337 213 2HZ LYS 31 HZ2 LYS 31 11.600 5.022 -18.627 214 3HZ LYS 31 HZ3 LYS 31 10.269 4.386 -17.925 215 H GLY 32 H GLY 32 7.469 4.002 -13.097 216 1HA GLY 32 HA2 GLY 32 5.803 2.900 -11.949 217 2HA GLY 32 HA3 GLY 32 6.980 3.052 -10.646 218 H ASN 33 H ASN 33 6.056 3.718 -8.829 219 HA ASN 33 HA ASN 33 4.492 6.206 -8.799 220 1HB ASN 33 HB2 ASN 33 2.791 4.357 -8.763 221 2HB ASN 33 HB3 ASN 33 3.578 3.700 -7.325 222 1HD2 ASN 33 HD22 ASN 33 1.841 4.042 -5.850 223 2HD2 ASN 33 HD21 ASN 33 1.242 5.627 -5.443 224 H TRP 34 H TRP 34 7.208 5.820 -8.354 225 HA TRP 34 HA TRP 34 7.853 5.041 -5.665 226 1HB TRP 34 HB2 TRP 34 9.439 6.516 -7.813 227 2HB TRP 34 HB3 TRP 34 10.112 5.933 -6.301 228 HD1 TRP 34 HD1 TRP 34 8.922 4.686 -9.675 229 HE1 TRP 34 HE1 TRP 34 9.699 2.280 -10.053 230 HE3 TRP 34 HE3 TRP 34 10.779 3.715 -5.013 231 HZ2 TRP 34 HZ2 TRP 34 11.236 0.349 -8.656 232 HZ3 TRP 34 HZ3 TRP 34 11.953 1.579 -4.575 233 HH2 TRP 34 HH2 TRP 34 12.175 -0.119 -6.356 234 H VAL 35 H VAL 35 8.841 6.336 -4.107 235 HA VAL 35 HA VAL 35 8.401 9.288 -4.239 236 HB VAL 35 HB VAL 35 8.508 7.455 -1.811 237 1HG1 VAL 35 HG11 VAL 35 8.148 10.486 -2.015 238 2HG1 VAL 35 HG12 VAL 35 7.948 9.530 -0.533 239 3HG1 VAL 35 HG13 VAL 35 9.538 9.638 -1.298 240 1HG2 VAL 35 HG21 VAL 35 6.167 8.202 -1.454 241 2HG2 VAL 35 HG22 VAL 35 6.207 9.046 -3.016 242 3HG2 VAL 35 HG23 VAL 35 6.351 7.276 -2.945 243 H VAL 36 H VAL 36 10.269 9.943 -5.159 244 HA VAL 36 HA VAL 36 12.784 8.574 -4.865 245 HB VAL 36 HB VAL 36 12.272 11.419 -5.837 246 1HG1 VAL 36 HG11 VAL 36 14.668 10.862 -5.534 247 2HG1 VAL 36 HG12 VAL 36 14.469 9.415 -6.545 248 3HG1 VAL 36 HG13 VAL 36 14.274 11.038 -7.243 249 1HG2 VAL 36 HG21 VAL 36 10.775 9.905 -7.116 250 2HG2 VAL 36 HG22 VAL 36 12.067 10.547 -8.108 251 3HG2 VAL 36 HG23 VAL 36 12.166 8.869 -7.508 252 H ILE 37 H ILE 37 14.458 8.994 -3.437 253 HA ILE 37 HA ILE 37 14.426 11.432 -1.772 254 HB ILE 37 HB ILE 37 14.839 8.580 -0.747 255 1HG1 ILE 37 HG12 ILE 37 12.706 10.622 0.055 256 2HG1 ILE 37 HG13 ILE 37 12.420 9.229 -0.994 257 1HG2 ILE 37 HG21 ILE 37 15.020 11.209 0.803 258 2HG2 ILE 37 HG22 ILE 37 15.272 9.575 1.455 259 3HG2 ILE 37 HG23 ILE 37 16.415 10.233 0.302 260 1HD1 ILE 37 HD11 ILE 37 11.611 8.690 1.164 261 2HD1 ILE 37 HD12 ILE 37 13.058 7.711 0.850 262 3HD1 ILE 37 HD13 ILE 37 13.134 9.128 1.941 263 H ASP 38 H ASP 38 16.569 12.203 -1.559 264 HA ASP 38 HA ASP 38 18.738 10.603 -2.854 265 1HB ASP 38 HB2 ASP 38 18.204 12.265 -4.468 266 2HB ASP 38 HB3 ASP 38 18.103 13.533 -3.239 267 H GLY 39 H GLY 39 19.870 9.968 -1.156 268 1HA GLY 39 HA2 GLY 39 20.049 11.500 1.324 269 2HA GLY 39 HA3 GLY 39 20.793 9.940 0.940 270 H GLY 40 H GLY 40 21.668 11.788 -1.674 271 1HA GLY 40 HA2 GLY 40 23.722 12.564 -2.315 272 2HA GLY 40 HA3 GLY 40 23.837 13.379 -0.738 273 H SER 41 H SER 41 26.017 12.779 -0.305 274 HA SER 41 HA SER 41 26.696 9.932 -0.264 275 1HB SER 41 HB2 SER 41 28.973 10.930 0.323 276 2HB SER 41 HB3 SER 41 28.285 11.279 -1.273 277 HG SER 41 HG SER 41 29.200 13.119 -0.041 278 H ALA 42 H ALA 42 24.807 11.525 1.785 279 HA ALA 42 HA ALA 42 25.955 10.328 4.245 280 1HB ALA 42 HB1 ALA 42 24.937 13.192 4.010 281 2HB ALA 42 HB2 ALA 42 25.421 12.373 5.510 282 3HB ALA 42 HB3 ALA 42 26.632 12.701 4.253 283 HA PRO 43 HA PRO 43 21.440 9.774 3.110 284 1HB PRO 43 HB2 PRO 43 21.212 7.081 2.888 285 2HB PRO 43 HB3 PRO 43 21.951 8.084 1.608 286 1HG PRO 43 HG2 PRO 43 23.400 6.592 3.829 287 2HG PRO 43 HG3 PRO 43 23.690 6.476 2.067 288 1HD PRO 43 HD2 PRO 43 25.160 8.159 3.602 289 2HD PRO 43 HD3 PRO 43 24.601 8.667 1.980 290 H GLU 44 H GLU 44 23.330 8.534 5.794 291 HA GLU 44 HA GLU 44 21.286 7.408 7.368 292 1HB GLU 44 HB2 GLU 44 22.687 8.091 9.318 293 2HB GLU 44 HB3 GLU 44 23.515 7.139 8.093 294 1HG GLU 44 HG2 GLU 44 24.648 9.095 7.220 295 2HG GLU 44 HG3 GLU 44 23.736 10.164 8.291 296 H ASN 45 H ASN 45 22.011 10.799 6.698 297 HA ASN 45 HA ASN 45 20.427 11.977 8.713 298 1HB ASN 45 HB2 ASN 45 20.871 13.940 7.686 299 2HB ASN 45 HB3 ASN 45 22.057 12.985 6.805 300 1HD2 ASN 45 HD22 ASN 45 21.485 12.304 4.550 301 2HD2 ASN 45 HD21 ASN 45 20.037 12.948 3.761 302 H ASP 46 H ASP 46 19.476 10.337 5.780 303 HA ASP 46 HA ASP 46 16.785 11.583 5.750 304 1HB ASP 46 HB2 ASP 46 18.500 10.183 3.722 305 2HB ASP 46 HB3 ASP 46 16.762 10.016 3.559 306 H ILE 47 H ILE 47 18.167 8.907 7.231 307 HA ILE 47 HA ILE 47 16.213 6.879 6.884 308 HB ILE 47 HB ILE 47 17.966 7.668 9.239 309 1HG1 ILE 47 HG12 ILE 47 18.141 5.362 7.237 310 2HG1 ILE 47 HG13 ILE 47 19.045 6.864 7.097 311 1HG2 ILE 47 HG21 ILE 47 17.499 5.515 10.293 312 2HG2 ILE 47 HG22 ILE 47 16.007 6.417 10.127 313 3HG2 ILE 47 HG23 ILE 47 16.362 5.090 8.999 314 1HD1 ILE 47 HD11 ILE 47 20.521 5.228 8.011 315 2HD1 ILE 47 HD12 ILE 47 20.135 6.373 9.311 316 3HD1 ILE 47 HD13 ILE 47 19.368 4.764 9.267 317 H VAL 48 H VAL 48 16.191 9.795 8.993 318 HA VAL 48 HA VAL 48 13.744 9.198 10.310 319 HB VAL 48 HB VAL 48 14.960 11.917 9.650 320 1HG1 VAL 48 HG11 VAL 48 13.004 11.096 11.847 321 2HG1 VAL 48 HG12 VAL 48 13.761 12.696 11.677 322 3HG1 VAL 48 HG13 VAL 48 12.633 12.124 10.445 323 1HG2 VAL 48 HG21 VAL 48 15.959 11.774 11.935 324 2HG2 VAL 48 HG22 VAL 48 15.398 10.093 12.059 325 3HG2 VAL 48 HG23 VAL 48 16.616 10.554 10.849 326 H ALA 49 H ALA 49 14.422 10.789 7.159 327 HA ALA 49 HA ALA 49 11.755 11.736 6.756 328 1HB ALA 49 HB1 ALA 49 13.723 12.671 5.562 329 2HB ALA 49 HB2 ALA 49 13.921 11.124 4.699 330 3HB ALA 49 HB3 ALA 49 12.469 12.104 4.438 331 H ILE 50 H ILE 50 13.545 8.862 5.641 332 HA ILE 50 HA ILE 50 11.451 7.561 4.253 333 HB ILE 50 HB ILE 50 13.787 6.414 5.850 334 1HG1 ILE 50 HG12 ILE 50 13.540 6.719 2.832 335 2HG1 ILE 50 HG13 ILE 50 14.264 7.977 3.825 336 1HG2 ILE 50 HG21 ILE 50 12.047 4.689 5.492 337 2HG2 ILE 50 HG22 ILE 50 12.015 5.077 3.761 338 3HG2 ILE 50 HG23 ILE 50 13.457 4.354 4.496 339 1HD1 ILE 50 HD11 ILE 50 15.954 6.326 4.650 340 2HD1 ILE 50 HD12 ILE 50 15.309 5.149 3.476 341 3HD1 ILE 50 HD13 ILE 50 16.020 6.671 2.916 342 H ARG 51 H ARG 51 12.321 7.435 7.761 343 HA ARG 51 HA ARG 51 10.411 5.464 8.454 344 1HB ARG 51 HB2 ARG 51 11.811 7.624 10.065 345 2HB ARG 51 HB3 ARG 51 10.617 6.557 10.806 346 1HG ARG 51 HG2 ARG 51 11.888 4.574 10.237 347 2HG ARG 51 HG3 ARG 51 13.075 5.530 9.335 348 1HD ARG 51 HD2 ARG 51 13.743 6.711 11.375 349 2HD ARG 51 HD3 ARG 51 12.491 5.856 12.302 350 HE ARG 51 HE ARG 51 14.180 3.939 11.044 351 1HH1 ARG 51 HH21 ARG 51 14.306 6.320 13.686 352 2HH1 ARG 51 HH22 ARG 51 15.448 5.426 14.614 353 1HH2 ARG 51 HH11 ARG 51 15.649 2.761 12.260 354 2HH2 ARG 51 HH12 ARG 51 16.232 3.335 13.795 355 H GLU 52 H GLU 52 9.953 9.024 8.197 356 HA GLU 52 HA GLU 52 7.419 9.128 9.426 357 1HB GLU 52 HB2 GLU 52 8.521 10.700 7.057 358 2HB GLU 52 HB3 GLU 52 6.992 11.079 7.831 359 1HG GLU 52 HG2 GLU 52 9.671 11.099 9.267 360 2HG GLU 52 HG3 GLU 52 8.890 12.503 8.558 361 H LEU 53 H LEU 53 8.309 7.870 6.240 362 HA LEU 53 HA LEU 53 5.585 7.914 5.240 363 1HB LEU 53 HB2 LEU 53 8.117 6.712 4.065 364 2HB LEU 53 HB3 LEU 53 6.604 6.963 3.210 365 HG LEU 53 HG LEU 53 8.397 9.166 4.320 366 1HD1 LEU 53 HD11 LEU 53 8.887 9.630 1.933 367 2HD1 LEU 53 HD12 LEU 53 9.449 8.044 2.463 368 3HD1 LEU 53 HD13 LEU 53 7.974 8.168 1.478 369 1HD2 LEU 53 HD21 LEU 53 6.980 10.709 3.000 370 2HD2 LEU 53 HD22 LEU 53 5.870 9.366 2.635 371 3HD2 LEU 53 HD23 LEU 53 6.090 9.939 4.309 372 H ARG 54 H ARG 54 7.357 5.778 7.204 373 HA ARG 54 HA ARG 54 7.603 3.506 7.369 374 1HB ARG 54 HB2 ARG 54 4.604 3.848 7.718 375 2HB ARG 54 HB3 ARG 54 5.541 2.427 8.201 376 1HG ARG 54 HG2 ARG 54 6.957 3.930 9.674 377 2HG ARG 54 HG3 ARG 54 5.849 5.256 9.281 378 1HD ARG 54 HD2 ARG 54 5.192 4.335 11.398 379 2HD ARG 54 HD3 ARG 54 3.958 3.917 10.196 380 HE ARG 54 HE ARG 54 6.007 1.862 10.496 381 1HH1 ARG 54 HH21 ARG 54 2.973 3.089 11.911 382 2HH1 ARG 54 HH22 ARG 54 2.538 1.587 12.635 383 1HH2 ARG 54 HH11 ARG 54 5.460 -0.109 11.495 384 2HH2 ARG 54 HH12 ARG 54 3.975 -0.284 12.383 385 HA PRO 55 HA PRO 55 6.375 2.907 2.907 386 1HB PRO 55 HB2 PRO 55 9.150 1.761 2.730 387 2HB PRO 55 HB3 PRO 55 8.277 2.816 1.577 388 1HG PRO 55 HG2 PRO 55 10.194 3.798 3.256 389 2HG PRO 55 HG3 PRO 55 8.711 4.738 2.892 390 1HD PRO 55 HD2 PRO 55 9.375 3.097 5.335 391 2HD PRO 55 HD3 PRO 55 8.579 4.669 5.207 392 H THR 56 H THR 56 5.893 1.057 1.655 393 HA THR 56 HA THR 56 5.734 -1.509 3.000 394 HB THR 56 HB THR 56 5.287 -0.953 0.055 395 HG1 THR 56 HG1 THR 56 3.559 -0.235 2.184 396 1HG2 THR 56 HG21 THR 56 3.830 -2.731 2.056 397 2HG2 THR 56 HG22 THR 56 3.406 -2.540 0.342 398 3HG2 THR 56 HG23 THR 56 4.959 -3.269 0.792 399 H ARG 57 H ARG 57 7.777 0.096 0.548 400 HA ARG 57 HA ARG 57 9.741 -2.115 0.708 401 1HB ARG 57 HB2 ARG 57 8.490 -1.050 -1.847 402 2HB ARG 57 HB3 ARG 57 10.001 -1.966 -1.809 403 1HG ARG 57 HG2 ARG 57 8.689 -3.866 -0.730 404 2HG ARG 57 HG3 ARG 57 7.215 -2.961 -1.113 405 1HD ARG 57 HD2 ARG 57 9.335 -3.879 -3.114 406 2HD ARG 57 HD3 ARG 57 7.770 -4.647 -2.854 407 HE ARG 57 HE ARG 57 8.192 -1.860 -3.918 408 1HH1 ARG 57 HH21 ARG 57 6.211 -4.835 -3.977 409 2HH1 ARG 57 HH22 ARG 57 5.187 -4.242 -5.233 410 1HH2 ARG 57 HH11 ARG 57 6.942 -1.134 -5.454 411 2HH2 ARG 57 HH12 ARG 57 5.599 -2.039 -6.131 412 H LEU 58 H LEU 58 11.845 -1.477 -0.070 413 HA LEU 58 HA LEU 58 12.309 1.358 -0.739 414 1HB LEU 58 HB2 LEU 58 12.475 1.380 1.679 415 2HB LEU 58 HB3 LEU 58 13.394 -0.122 1.676 416 HG LEU 58 HG LEU 58 15.346 0.974 0.760 417 1HD1 LEU 58 HD11 LEU 58 14.258 2.884 -0.515 418 2HD1 LEU 58 HD12 LEU 58 13.932 3.660 1.053 419 3HD1 LEU 58 HD13 LEU 58 15.582 3.372 0.537 420 1HD2 LEU 58 HD21 LEU 58 15.894 2.335 2.761 421 2HD2 LEU 58 HD22 LEU 58 14.169 2.461 3.148 422 3HD2 LEU 58 HD23 LEU 58 14.980 0.892 3.226 423 H LEU 59 H LEU 59 14.075 1.613 -2.059 424 HA LEU 59 HA LEU 59 15.818 -0.729 -2.603 425 1HB LEU 59 HB2 LEU 59 13.875 -0.255 -4.317 426 2HB LEU 59 HB3 LEU 59 14.849 1.127 -4.790 427 HG LEU 59 HG LEU 59 15.448 -1.838 -5.032 428 1HD1 LEU 59 HD11 LEU 59 14.197 -0.748 -6.863 429 2HD1 LEU 59 HD12 LEU 59 15.488 0.451 -7.056 430 3HD1 LEU 59 HD13 LEU 59 15.783 -1.266 -7.415 431 1HD2 LEU 59 HD21 LEU 59 17.491 0.371 -5.373 432 2HD2 LEU 59 HD22 LEU 59 17.571 -1.025 -4.264 433 3HD2 LEU 59 HD23 LEU 59 17.671 -1.280 -5.997 434 H ILE 60 H ILE 60 17.909 -0.052 -2.261 435 HA ILE 60 HA ILE 60 18.516 2.864 -2.267 436 HB ILE 60 HB ILE 60 20.514 0.789 -1.493 437 1HG1 ILE 60 HG12 ILE 60 18.742 -0.024 -0.111 438 2HG1 ILE 60 HG13 ILE 60 19.955 0.764 0.862 439 1HG2 ILE 60 HG21 ILE 60 21.243 2.602 0.096 440 2HG2 ILE 60 HG22 ILE 60 21.281 3.072 -1.605 441 3HG2 ILE 60 HG23 ILE 60 19.958 3.631 -0.567 442 1HD1 ILE 60 HD11 ILE 60 18.524 2.730 1.146 443 2HD1 ILE 60 HD12 ILE 60 17.318 2.029 0.050 444 3HD1 ILE 60 HD13 ILE 60 17.667 1.255 1.614 445 H VAL 61 H VAL 61 20.156 3.681 -3.750 446 HA VAL 61 HA VAL 61 21.487 1.669 -5.485 447 HB VAL 61 HB VAL 61 20.116 4.156 -6.567 448 1HG1 VAL 61 HG11 VAL 61 20.692 3.077 -8.796 449 2HG1 VAL 61 HG12 VAL 61 22.089 3.626 -7.877 450 3HG1 VAL 61 HG13 VAL 61 21.676 1.901 -7.901 451 1HG2 VAL 61 HG21 VAL 61 18.369 2.560 -6.047 452 2HG2 VAL 61 HG22 VAL 61 18.617 2.573 -7.791 453 3HG2 VAL 61 HG23 VAL 61 19.282 1.248 -6.819 454 H ASP 62 H ASP 62 23.575 2.062 -5.796 455 HA ASP 62 HA ASP 62 24.742 4.659 -6.065 456 1HB ASP 62 HB2 ASP 62 24.695 4.418 -3.576 457 2HB ASP 62 HB3 ASP 62 25.670 2.958 -3.729 458 H ALA 63 H ALA 63 27.275 4.131 -6.389 459 HA ALA 63 HA ALA 63 27.602 1.813 -8.142 460 1HB ALA 63 HB1 ALA 63 29.617 3.818 -7.022 461 2HB ALA 63 HB2 ALA 63 29.929 2.620 -8.298 462 3HB ALA 63 HB3 ALA 63 28.787 3.944 -8.592 463 H THR 64 H THR 64 29.203 0.089 -7.634 464 HA THR 64 HA THR 64 30.181 -0.206 -4.905 465 HB THR 64 HB THR 64 28.369 -2.399 -6.005 466 HG1 THR 64 HG1 THR 64 27.663 -0.109 -4.613 467 1HG2 THR 64 HG21 THR 64 29.948 -3.091 -4.277 468 2HG2 THR 64 HG22 THR 64 29.436 -1.755 -3.222 469 3HG2 THR 64 HG23 THR 64 28.312 -3.074 -3.604 470 H ASP 65 H ASP 65 32.205 -1.214 -5.162 471 HA ASP 65 HA ASP 65 32.939 -2.275 -7.792 472 1HB ASP 65 HB2 ASP 65 34.683 -1.163 -6.548 473 2HB ASP 65 HB3 ASP 65 34.444 -2.239 -5.159 474 H MET 66 H MET 66 32.541 -4.236 -8.453 475 HA MET 66 HA MET 66 31.910 -6.412 -6.518 476 1HB MET 66 HB2 MET 66 30.754 -5.696 -9.262 477 2HB MET 66 HB3 MET 66 30.398 -7.193 -8.392 478 1HG MET 66 HG2 MET 66 29.542 -5.945 -6.467 479 2HG MET 66 HG3 MET 66 29.871 -4.416 -7.258 480 1HE MET 66 HE1 MET 66 28.428 -3.232 -8.888 481 2HE MET 66 HE2 MET 66 29.001 -4.427 -10.064 482 3HE MET 66 HE3 MET 66 27.265 -4.025 -9.981 483 H GLY 67 H GLY 67 34.355 -5.388 -8.575 484 1HA GLY 67 HA2 GLY 67 36.023 -6.469 -9.705 485 2HA GLY 67 HA3 GLY 67 35.549 -7.985 -8.913 486 H LEU 68 H LEU 68 33.439 -5.936 -10.928 487 HA LEU 68 HA LEU 68 33.214 -8.101 -12.959 488 1HB LEU 68 HB2 LEU 68 31.201 -5.972 -12.158 489 2HB LEU 68 HB3 LEU 68 30.966 -7.174 -13.425 490 HG LEU 68 HG LEU 68 31.326 -7.791 -10.500 491 1HD1 LEU 68 HD11 LEU 68 29.163 -6.698 -11.003 492 2HD1 LEU 68 HD12 LEU 68 28.840 -7.912 -12.255 493 3HD1 LEU 68 HD13 LEU 68 28.932 -8.392 -10.545 494 1HD2 LEU 68 HD21 LEU 68 32.148 -9.669 -11.829 495 2HD2 LEU 68 HD22 LEU 68 30.608 -10.089 -11.090 496 3HD2 LEU 68 HD23 LEU 68 30.667 -9.656 -12.813 497 H ASN 69 H ASN 69 32.127 -6.887 -14.982 498 HA ASN 69 HA ASN 69 34.163 -5.088 -16.110 499 1HB ASN 69 HB2 ASN 69 32.906 -6.755 -17.491 500 2HB ASN 69 HB3 ASN 69 31.415 -5.864 -17.194 501 1HD2 ASN 69 HD22 ASN 69 31.283 -3.546 -18.136 502 2HD2 ASN 69 HD21 ASN 69 32.252 -3.244 -19.546 503 HA PRO 70 HA PRO 70 32.385 -1.193 -14.605 504 1HB PRO 70 HB2 PRO 70 32.865 -0.439 -17.502 505 2HB PRO 70 HB3 PRO 70 33.080 0.566 -16.034 506 1HG PRO 70 HG2 PRO 70 35.225 -0.654 -17.114 507 2HG PRO 70 HG3 PRO 70 34.977 -0.759 -15.340 508 1HD PRO 70 HD2 PRO 70 34.369 -2.838 -17.440 509 2HD PRO 70 HD3 PRO 70 35.076 -3.048 -15.810 510 H GLY 71 H GLY 71 30.337 -0.415 -14.427 511 1HA GLY 71 HA2 GLY 71 28.211 0.174 -14.973 512 2HA GLY 71 HA3 GLY 71 28.522 -0.247 -16.656 513 H GLU 72 H GLU 72 29.297 -3.042 -14.809 514 HA GLU 72 HA GLU 72 26.835 -4.415 -15.450 515 1HB GLU 72 HB2 GLU 72 29.265 -5.044 -13.727 516 2HB GLU 72 HB3 GLU 72 27.853 -6.089 -13.717 517 1HG GLU 72 HG2 GLU 72 29.357 -5.351 -16.257 518 2HG GLU 72 HG3 GLU 72 29.667 -6.801 -15.303 519 H ILE 73 H ILE 73 25.239 -5.050 -14.000 520 HA ILE 73 HA ILE 73 24.878 -3.324 -11.596 521 HB ILE 73 HB ILE 73 22.861 -4.272 -13.688 522 1HG1 ILE 73 HG12 ILE 73 23.628 -1.385 -13.134 523 2HG1 ILE 73 HG13 ILE 73 24.434 -2.335 -14.372 524 1HG2 ILE 73 HG21 ILE 73 21.295 -2.718 -12.392 525 2HG2 ILE 73 HG22 ILE 73 21.764 -4.181 -11.542 526 3HG2 ILE 73 HG23 ILE 73 22.561 -2.648 -11.143 527 1HD1 ILE 73 HD11 ILE 73 22.695 -0.996 -15.380 528 2HD1 ILE 73 HD12 ILE 73 22.311 -2.714 -15.544 529 3HD1 ILE 73 HD13 ILE 73 21.461 -1.714 -14.344 530 H ARG 74 H ARG 74 24.245 -4.470 -9.718 531 HA ARG 74 HA ARG 74 23.055 -7.160 -10.055 532 1HB ARG 74 HB2 ARG 74 25.454 -6.667 -8.269 533 2HB ARG 74 HB3 ARG 74 24.473 -8.123 -8.283 534 1HG ARG 74 HG2 ARG 74 26.104 -7.167 -10.660 535 2HG ARG 74 HG3 ARG 74 26.647 -8.350 -9.470 536 1HD ARG 74 HD2 ARG 74 24.778 -9.847 -10.050 537 2HD ARG 74 HD3 ARG 74 24.202 -8.703 -11.261 538 HE ARG 74 HE ARG 74 26.472 -10.544 -11.427 539 1HH1 ARG 74 HH21 ARG 74 24.999 -7.627 -12.942 540 2HH1 ARG 74 HH22 ARG 74 26.008 -7.820 -14.382 541 1HH2 ARG 74 HH11 ARG 74 27.705 -10.654 -13.385 542 2HH2 ARG 74 HH12 ARG 74 27.450 -9.402 -14.610 543 H ILE 75 H ILE 75 21.807 -7.780 -8.271 544 HA ILE 75 HA ILE 75 20.957 -5.657 -6.395 545 HB ILE 75 HB ILE 75 20.129 -8.581 -6.743 546 1HG1 ILE 75 HG12 ILE 75 19.485 -7.339 -8.703 547 2HG1 ILE 75 HG13 ILE 75 18.072 -7.741 -7.752 548 1HG2 ILE 75 HG21 ILE 75 19.631 -7.947 -4.471 549 2HG2 ILE 75 HG22 ILE 75 18.943 -6.403 -5.004 550 3HG2 ILE 75 HG23 ILE 75 18.119 -7.935 -5.381 551 1HD1 ILE 75 HD11 ILE 75 17.906 -5.471 -8.647 552 2HD1 ILE 75 HD12 ILE 75 17.963 -5.419 -6.874 553 3HD1 ILE 75 HD13 ILE 75 19.410 -5.009 -7.835 554 H ILE 76 H ILE 76 21.401 -5.781 -4.127 555 HA ILE 76 HA ILE 76 23.273 -7.884 -3.228 556 HB ILE 76 HB ILE 76 23.793 -5.121 -2.232 557 1HG1 ILE 76 HG12 ILE 76 24.885 -6.037 -4.924 558 2HG1 ILE 76 HG13 ILE 76 23.802 -4.667 -4.640 559 1HG2 ILE 76 HG21 ILE 76 26.075 -6.043 -1.951 560 2HG2 ILE 76 HG22 ILE 76 24.940 -7.222 -1.339 561 3HG2 ILE 76 HG23 ILE 76 25.643 -7.456 -2.936 562 1HD1 ILE 76 HD11 ILE 76 25.577 -3.567 -3.252 563 2HD1 ILE 76 HD12 ILE 76 26.693 -4.872 -3.730 564 3HD1 ILE 76 HD13 ILE 76 26.014 -3.814 -4.957 565 H ASP 77 H ASP 77 23.372 -7.866 -0.775 566 HA ASP 77 HA ASP 77 20.703 -7.374 0.444 567 1HB ASP 77 HB2 ASP 77 20.820 -9.675 -0.414 568 2HB ASP 77 HB3 ASP 77 22.404 -9.910 0.322 569 HA PRO 78 HA PRO 78 23.204 -5.543 3.542 570 1HB PRO 78 HB2 PRO 78 21.957 -6.284 5.949 571 2HB PRO 78 HB3 PRO 78 21.474 -4.947 4.866 572 1HG PRO 78 HG2 PRO 78 20.415 -7.786 4.921 573 2HG PRO 78 HG3 PRO 78 19.478 -6.262 4.850 574 1HD PRO 78 HD2 PRO 78 19.909 -7.624 2.602 575 2HD PRO 78 HD3 PRO 78 20.181 -5.864 2.576 576 H ASP 79 H ASP 79 22.791 -9.050 3.842 577 HA ASP 79 HA ASP 79 24.826 -9.439 5.859 578 1HB ASP 79 HB2 ASP 79 23.092 -11.115 5.318 579 2HB ASP 79 HB3 ASP 79 23.780 -11.308 3.700 580 H ASP 80 H ASP 80 24.962 -8.669 2.473 581 HA ASP 80 HA ASP 80 27.802 -9.576 2.245 582 1HB ASP 80 HB2 ASP 80 26.159 -10.813 0.872 583 2HB ASP 80 HB3 ASP 80 25.647 -9.300 0.125 584 H ILE 81 H ILE 81 25.545 -6.912 1.640 585 HA ILE 81 HA ILE 81 27.196 -5.004 0.388 586 HB ILE 81 HB ILE 81 25.063 -4.785 2.536 587 1HG1 ILE 81 HG12 ILE 81 24.966 -4.056 -0.429 588 2HG1 ILE 81 HG13 ILE 81 24.492 -5.623 0.207 589 1HG2 ILE 81 HG21 ILE 81 26.496 -2.691 2.633 590 2HG2 ILE 81 HG22 ILE 81 26.054 -2.392 0.943 591 3HG2 ILE 81 HG23 ILE 81 24.815 -2.415 2.199 592 1HD1 ILE 81 HD11 ILE 81 22.841 -4.402 1.722 593 2HD1 ILE 81 HD12 ILE 81 23.149 -2.977 0.707 594 3HD1 ILE 81 HD13 ILE 81 22.479 -4.471 0.001 595 H ALA 82 H ALA 82 27.064 -6.019 3.767 596 HA ALA 82 HA ALA 82 28.614 -4.063 4.976 597 1HB ALA 82 HB1 ALA 82 28.995 -5.762 6.738 598 2HB ALA 82 HB2 ALA 82 27.316 -5.823 6.161 599 3HB ALA 82 HB3 ALA 82 28.493 -7.043 5.611 600 H GLU 83 H GLU 83 29.762 -6.661 2.895 601 HA GLU 83 HA GLU 83 32.578 -5.911 3.565 602 1HB GLU 83 HB2 GLU 83 31.884 -8.282 4.019 603 2HB GLU 83 HB3 GLU 83 31.609 -8.485 2.281 604 1HG GLU 83 HG2 GLU 83 33.986 -7.939 1.844 605 2HG GLU 83 HG3 GLU 83 34.245 -7.619 3.558 606 H MET 84 H MET 84 30.179 -6.415 0.978 607 HA MET 84 HA MET 84 32.032 -5.960 -1.150 608 1HB MET 84 HB2 MET 84 28.995 -5.838 -1.029 609 2HB MET 84 HB3 MET 84 29.899 -5.494 -2.510 610 1HG MET 84 HG2 MET 84 30.155 -8.062 -0.905 611 2HG MET 84 HG3 MET 84 29.171 -7.853 -2.349 612 1HE MET 84 HE1 MET 84 32.087 -10.201 -3.525 613 2HE MET 84 HE2 MET 84 31.346 -10.146 -1.909 614 3HE MET 84 HE3 MET 84 30.324 -10.009 -3.359 615 H PHE 85 H PHE 85 30.222 -3.646 0.852 616 HA PHE 85 HA PHE 85 30.816 -1.477 -0.972 617 1HB PHE 85 HB2 PHE 85 29.435 -1.709 1.629 618 2HB PHE 85 HB3 PHE 85 30.413 -0.253 1.474 619 HD1 PHE 85 HD1 PHE 85 29.728 1.553 0.116 620 HD2 PHE 85 HD2 PHE 85 27.878 -2.324 -0.386 621 HE1 PHE 85 HE1 PHE 85 28.256 2.480 -1.656 622 HE2 PHE 85 HE2 PHE 85 26.398 -1.372 -2.142 623 HZ PHE 85 HZ PHE 85 26.632 1.007 -2.810 624 H MET 86 H MET 86 32.516 -2.738 1.929 625 HA MET 86 HA MET 86 34.409 -0.594 1.846 626 1HB MET 86 HB2 MET 86 35.797 -1.909 3.372 627 2HB MET 86 HB3 MET 86 34.132 -1.686 3.908 628 1HG MET 86 HG2 MET 86 33.571 -3.962 3.330 629 2HG MET 86 HG3 MET 86 35.125 -4.204 2.523 630 1HE MET 86 HE1 MET 86 34.585 -3.889 7.132 631 2HE MET 86 HE2 MET 86 34.507 -2.448 6.101 632 3HE MET 86 HE3 MET 86 33.268 -3.716 5.954 633 H MET 87 H MET 87 34.068 -3.163 -0.365 634 HA MET 87 HA MET 87 36.761 -3.505 -1.225 635 1HB MET 87 HB2 MET 87 34.257 -3.341 -2.950 636 2HB MET 87 HB3 MET 87 35.806 -4.031 -3.421 637 1HG MET 87 HG2 MET 87 34.034 -5.091 -1.210 638 2HG MET 87 HG3 MET 87 34.107 -5.723 -2.851 639 1HE MET 87 HE1 MET 87 34.260 -7.504 -0.374 640 2HE MET 87 HE2 MET 87 34.491 -8.180 -2.000 641 3HE MET 87 HE3 MET 87 35.636 -8.586 -0.701 642 H THR 88 H THR 88 34.501 -0.761 -1.550 643 HA THR 88 HA THR 88 36.153 0.594 -3.520 644 HB THR 88 HB THR 88 34.484 2.375 -3.323 645 HG1 THR 88 HG1 THR 88 33.204 0.656 -1.444 646 1HG2 THR 88 HG21 THR 88 32.635 1.139 -4.355 647 2HG2 THR 88 HG22 THR 88 34.199 0.569 -4.954 648 3HG2 THR 88 HG23 THR 88 33.304 -0.397 -3.753 649 H THR 89 H THR 89 37.862 -0.030 -1.708 650 HA THR 89 HA THR 89 39.453 0.606 -0.307 651 HB THR 89 HB THR 89 38.928 3.449 -1.241 652 HG1 THR 89 HG1 THR 89 38.953 2.059 -3.016 653 1HG2 THR 89 HG21 THR 89 41.398 3.620 -1.140 654 2HG2 THR 89 HG22 THR 89 40.734 3.224 0.449 655 3HG2 THR 89 HG23 THR 89 41.500 1.953 -0.527 656 H HIS 90 H HIS 90 37.844 -0.149 1.304 657 HA HIS 90 HA HIS 90 37.106 -0.111 3.391 658 1HB HIS 90 HB2 HIS 90 39.555 0.622 3.589 659 2HB HIS 90 HB3 HIS 90 38.932 2.223 3.975 660 HD1 HIS 90 HD1 HIS 90 36.894 1.890 6.131 661 HD2 HIS 90 HD2 HIS 90 40.105 -0.786 5.672 662 HE1 HIS 90 HE1 HIS 90 37.184 0.722 8.395 663 H ASN 91 H ASN 91 35.534 1.293 1.514 664 HA ASN 91 HA ASN 91 34.376 3.677 2.543 665 1HB ASN 91 HB2 ASN 91 34.106 2.465 0.259 666 2HB ASN 91 HB3 ASN 91 32.825 1.535 1.060 667 1HD2 ASN 91 HD22 ASN 91 32.188 2.912 -1.134 668 2HD2 ASN 91 HD21 ASN 91 31.227 4.334 -0.741 669 H MET 92 H MET 92 32.187 3.832 3.461 670 HA MET 92 HA MET 92 32.010 2.463 5.940 671 1HB MET 92 HB2 MET 92 29.977 3.782 6.270 672 2HB MET 92 HB3 MET 92 31.297 4.749 5.633 673 1HG MET 92 HG2 MET 92 30.219 4.344 3.292 674 2HG MET 92 HG3 MET 92 28.802 3.824 4.192 675 1HE MET 92 HE1 MET 92 27.751 7.352 2.858 676 2HE MET 92 HE2 MET 92 28.681 6.076 2.040 677 3HE MET 92 HE3 MET 92 27.272 5.653 3.043 678 HA PRO 93 HA PRO 93 29.824 -1.144 4.516 679 1HB PRO 93 HB2 PRO 93 29.226 -2.374 6.856 680 2HB PRO 93 HB3 PRO 93 30.919 -2.072 6.367 681 1HG PRO 93 HG2 PRO 93 29.210 -0.393 8.238 682 2HG PRO 93 HG3 PRO 93 30.872 -1.007 8.508 683 1HD PRO 93 HD2 PRO 93 30.336 1.524 7.545 684 2HD PRO 93 HD3 PRO 93 31.802 0.599 7.086 685 H LEU 94 H LEU 94 28.252 0.436 3.639 686 HA LEU 94 HA LEU 94 26.212 1.674 4.783 687 1HB LEU 94 HB2 LEU 94 27.016 1.017 2.124 688 2HB LEU 94 HB3 LEU 94 25.265 0.841 2.183 689 HG LEU 94 HG LEU 94 26.778 3.269 3.237 690 1HD1 LEU 94 HD11 LEU 94 26.110 4.418 1.155 691 2HD1 LEU 94 HD12 LEU 94 27.158 3.037 0.825 692 3HD1 LEU 94 HD13 LEU 94 25.412 2.905 0.534 693 1HD2 LEU 94 HD21 LEU 94 24.511 3.075 4.200 694 2HD2 LEU 94 HD22 LEU 94 24.583 4.420 3.068 695 3HD2 LEU 94 HD23 LEU 94 23.814 2.892 2.578 696 H ASN 95 H ASN 95 26.071 -1.703 4.731 697 HA ASN 95 HA ASN 95 23.282 -2.182 4.801 698 1HB ASN 95 HB2 ASN 95 23.776 -4.235 5.591 699 2HB ASN 95 HB3 ASN 95 25.373 -3.847 4.979 700 1HD2 ASN 95 HD22 ASN 95 26.685 -2.442 6.976 701 2HD2 ASN 95 HD21 ASN 95 26.620 -3.346 8.460 702 H TYR 96 H TYR 96 25.284 -0.407 7.109 703 HA TYR 96 HA TYR 96 23.723 -0.706 9.433 704 1HB TYR 96 HB2 TYR 96 24.688 1.378 10.187 705 2HB TYR 96 HB3 TYR 96 25.913 0.404 9.396 706 HD1 TYR 96 HD1 TYR 96 27.251 1.350 7.683 707 HD2 TYR 96 HD2 TYR 96 23.623 3.373 8.853 708 HE1 TYR 96 HE1 TYR 96 27.760 3.195 6.118 709 HE2 TYR 96 HE2 TYR 96 24.101 5.172 7.258 710 HH TYR 96 HH TYR 96 25.570 6.007 5.669 711 H LEU 97 H LEU 97 23.074 1.217 6.504 712 HA LEU 97 HA LEU 97 20.962 2.794 7.727 713 1HB LEU 97 HB2 LEU 97 22.207 3.582 5.800 714 2HB LEU 97 HB3 LEU 97 21.697 2.216 4.817 715 HG LEU 97 HG LEU 97 19.456 3.782 6.044 716 1HD1 LEU 97 HD11 LEU 97 21.151 4.985 3.830 717 2HD1 LEU 97 HD12 LEU 97 19.616 5.635 4.468 718 3HD1 LEU 97 HD13 LEU 97 21.049 5.595 5.497 719 1HD2 LEU 97 HD21 LEU 97 19.036 1.963 4.390 720 2HD2 LEU 97 HD22 LEU 97 18.478 3.528 3.797 721 3HD2 LEU 97 HD23 LEU 97 20.000 2.843 3.189 722 H ILE 98 H ILE 98 21.126 -0.164 5.740 723 HA ILE 98 HA ILE 98 18.324 -0.557 5.444 724 HB ILE 98 HB ILE 98 20.665 -2.516 5.443 725 1HG1 ILE 98 HG12 ILE 98 19.149 -1.229 3.123 726 2HG1 ILE 98 HG13 ILE 98 20.726 -0.712 3.705 727 1HG2 ILE 98 HG21 ILE 98 19.066 -4.054 4.189 728 2HG2 ILE 98 HG22 ILE 98 18.718 -3.839 5.896 729 3HG2 ILE 98 HG23 ILE 98 17.756 -2.976 4.691 730 1HD1 ILE 98 HD11 ILE 98 20.102 -3.372 2.388 731 2HD1 ILE 98 HD12 ILE 98 21.103 -2.053 1.792 732 3HD1 ILE 98 HD13 ILE 98 21.645 -2.984 3.200 733 H ASP 99 H ASP 99 20.676 -1.735 7.924 734 HA ASP 99 HA ASP 99 18.812 -3.321 9.300 735 1HB ASP 99 HB2 ASP 99 21.291 -3.424 9.529 736 2HB ASP 99 HB3 ASP 99 21.260 -1.897 10.422 737 H GLN 100 H GLN 100 19.098 0.140 9.325 738 HA GLN 100 HA GLN 100 17.604 0.457 11.857 739 1HB GLN 100 HB2 GLN 100 18.877 2.380 9.872 740 2HB GLN 100 HB3 GLN 100 17.860 2.936 11.201 741 1HG GLN 100 HG2 GLN 100 19.325 1.936 12.862 742 2HG GLN 100 HG3 GLN 100 20.327 1.201 11.613 743 1HE2 GLN 100 HE22 GLN 100 21.755 2.496 10.392 744 2HE2 GLN 100 HE21 GLN 100 22.178 4.139 10.881 745 H LEU 101 H LEU 101 16.675 -0.416 8.796 746 HA LEU 101 HA LEU 101 14.060 1.034 8.974 747 1HB LEU 101 HB2 LEU 101 15.926 0.635 6.600 748 2HB LEU 101 HB3 LEU 101 14.243 1.105 6.422 749 HG LEU 101 HG LEU 101 16.266 2.744 8.011 750 1HD1 LEU 101 HD11 LEU 101 16.323 4.246 6.067 751 2HD1 LEU 101 HD12 LEU 101 16.926 2.632 5.661 752 3HD1 LEU 101 HD13 LEU 101 15.295 3.119 5.159 753 1HD2 LEU 101 HD21 LEU 101 14.534 4.556 7.665 754 2HD2 LEU 101 HD22 LEU 101 13.437 3.325 7.020 755 3HD2 LEU 101 HD23 LEU 101 13.984 3.233 8.704 756 H LYS 102 H LYS 102 15.804 -1.862 7.891 757 HA LYS 102 HA LYS 102 13.659 -3.228 6.712 758 1HB LYS 102 HB2 LYS 102 15.053 -5.085 6.698 759 2HB LYS 102 HB3 LYS 102 16.209 -3.757 6.769 760 1HG LYS 102 HG2 LYS 102 16.341 -4.126 9.292 761 2HG LYS 102 HG3 LYS 102 15.319 -5.559 9.053 762 1HD LYS 102 HD2 LYS 102 17.135 -6.236 7.268 763 2HD LYS 102 HD3 LYS 102 18.170 -5.105 8.134 764 1HE LYS 102 HE2 LYS 102 16.721 -7.547 9.239 765 2HE LYS 102 HE3 LYS 102 18.458 -7.406 8.941 766 1HZ LYS 102 HZ1 LYS 102 16.901 -5.958 11.013 767 2HZ LYS 102 HZ2 LYS 102 17.976 -7.151 11.257 768 3HZ LYS 102 HZ3 LYS 102 18.518 -5.707 10.736 769 H GLU 103 H GLU 103 14.173 -2.563 10.062 770 HA GLU 103 HA GLU 103 12.761 -4.735 11.214 771 1HB GLU 103 HB2 GLU 103 13.234 -1.902 12.228 772 2HB GLU 103 HB3 GLU 103 12.709 -3.269 13.220 773 1HG GLU 103 HG2 GLU 103 15.379 -3.013 11.785 774 2HG GLU 103 HG3 GLU 103 15.099 -2.793 13.506 775 H ASP 104 H ASP 104 11.587 -1.957 9.443 776 HA ASP 104 HA ASP 104 8.803 -2.587 10.333 777 1HB ASP 104 HB2 ASP 104 9.642 -0.580 11.539 778 2HB ASP 104 HB3 ASP 104 9.934 0.209 9.984 779 H ILE 105 H ILE 105 10.955 -1.382 7.724 780 HA ILE 105 HA ILE 105 8.798 -1.089 5.823 781 HB ILE 105 HB ILE 105 11.813 -1.368 5.477 782 1HG1 ILE 105 HG12 ILE 105 9.902 1.003 5.524 783 2HG1 ILE 105 HG13 ILE 105 11.204 0.666 6.661 784 1HG2 ILE 105 HG21 ILE 105 10.670 -2.113 3.436 785 2HG2 ILE 105 HG22 ILE 105 9.704 -0.621 3.395 786 3HG2 ILE 105 HG23 ILE 105 11.462 -0.594 3.148 787 1HD1 ILE 105 HD11 ILE 105 11.444 1.640 3.809 788 2HD1 ILE 105 HD12 ILE 105 12.031 2.380 5.303 789 3HD1 ILE 105 HD13 ILE 105 12.819 0.917 4.678 790 H GLY 106 H GLY 106 8.079 -2.573 4.358 791 1HA GLY 106 HA2 GLY 106 7.936 -5.283 5.158 792 2HA GLY 106 HA3 GLY 106 7.399 -4.621 3.609 793 H GLU 107 H GLU 107 9.876 -3.748 2.453 794 HA GLU 107 HA GLU 107 11.797 -5.943 2.724 795 1HB GLU 107 HB2 GLU 107 10.122 -6.627 0.954 796 2HB GLU 107 HB3 GLU 107 10.493 -5.126 0.084 797 1HG GLU 107 HG2 GLU 107 11.660 -7.041 -0.889 798 2HG GLU 107 HG3 GLU 107 12.780 -5.834 -0.267 799 H VAL 108 H VAL 108 13.900 -5.263 2.175 800 HA VAL 108 HA VAL 108 14.243 -2.495 1.172 801 HB VAL 108 HB VAL 108 15.663 -3.627 3.619 802 1HG1 VAL 108 HG11 VAL 108 15.812 -0.961 2.136 803 2HG1 VAL 108 HG12 VAL 108 16.508 -1.221 3.749 804 3HG1 VAL 108 HG13 VAL 108 17.113 -2.134 2.357 805 1HG2 VAL 108 HG21 VAL 108 13.539 -1.476 3.467 806 2HG2 VAL 108 HG22 VAL 108 13.393 -3.067 4.242 807 3HG2 VAL 108 HG23 VAL 108 14.515 -1.863 4.897 808 H ILE 109 H ILE 109 15.518 -2.597 -0.554 809 HA ILE 109 HA ILE 109 17.421 -4.881 -0.921 810 HB ILE 109 HB ILE 109 15.384 -3.551 -2.756 811 1HG1 ILE 109 HG12 ILE 109 15.676 -6.533 -2.294 812 2HG1 ILE 109 HG13 ILE 109 14.891 -5.566 -1.063 813 1HG2 ILE 109 HG21 ILE 109 17.542 -5.551 -3.519 814 2HG2 ILE 109 HG22 ILE 109 16.153 -5.158 -4.545 815 3HG2 ILE 109 HG23 ILE 109 17.334 -3.907 -4.173 816 1HD1 ILE 109 HD11 ILE 109 13.242 -6.516 -2.595 817 2HD1 ILE 109 HD12 ILE 109 13.225 -4.744 -2.605 818 3HD1 ILE 109 HD13 ILE 109 13.987 -5.657 -3.950 819 H PHE 110 H PHE 110 19.278 -4.367 -2.298 820 HA PHE 110 HA PHE 110 19.831 -1.465 -2.668 821 1HB PHE 110 HB2 PHE 110 21.059 -2.706 -0.719 822 2HB PHE 110 HB3 PHE 110 21.954 -3.518 -1.998 823 HD1 PHE 110 HD1 PHE 110 23.176 -1.891 -3.753 824 HD2 PHE 110 HD2 PHE 110 21.907 -0.745 0.204 825 HE1 PHE 110 HE1 PHE 110 24.528 0.170 -3.912 826 HE2 PHE 110 HE2 PHE 110 23.345 1.259 0.083 827 HZ PHE 110 HZ PHE 110 24.586 1.773 -1.999 828 H LEU 111 H LEU 111 20.782 -1.042 -4.714 829 HA LEU 111 HA LEU 111 21.485 -3.370 -6.431 830 1HB LEU 111 HB2 LEU 111 19.372 -2.495 -7.153 831 2HB LEU 111 HB3 LEU 111 19.953 -0.832 -7.119 832 HG LEU 111 HG LEU 111 21.329 -2.856 -8.882 833 1HD1 LEU 111 HD11 LEU 111 19.732 -2.309 -10.707 834 2HD1 LEU 111 HD12 LEU 111 18.921 -3.110 -9.364 835 3HD1 LEU 111 HD13 LEU 111 18.759 -1.354 -9.568 836 1HD2 LEU 111 HD21 LEU 111 20.795 0.143 -9.166 837 2HD2 LEU 111 HD22 LEU 111 22.367 -0.598 -8.793 838 3HD2 LEU 111 HD23 LEU 111 21.640 -0.850 -10.358 839 H GLY 112 H GLY 112 23.529 -3.232 -7.149 840 1HA GLY 112 HA2 GLY 112 25.067 -0.721 -6.636 841 2HA GLY 112 HA3 GLY 112 25.724 -2.344 -6.486 842 H ILE 113 H ILE 113 26.657 -0.213 -8.191 843 HA ILE 113 HA ILE 113 26.446 -1.534 -10.846 844 HB ILE 113 HB ILE 113 26.605 1.451 -10.256 845 1HG1 ILE 113 HG12 ILE 113 24.290 -0.055 -11.547 846 2HG1 ILE 113 HG13 ILE 113 24.318 0.449 -9.854 847 1HG2 ILE 113 HG21 ILE 113 26.444 1.746 -12.704 848 2HG2 ILE 113 HG22 ILE 113 27.863 0.813 -12.289 849 3HG2 ILE 113 HG23 ILE 113 26.435 -0.025 -12.922 850 1HD1 ILE 113 HD11 ILE 113 24.650 2.808 -10.598 851 2HD1 ILE 113 HD12 ILE 113 24.304 2.276 -12.265 852 3HD1 ILE 113 HD13 ILE 113 23.077 2.095 -10.999 853 H GLN 114 H GLN 114 28.472 -2.129 -11.572 854 HA GLN 114 HA GLN 114 30.810 -1.806 -10.012 855 1HB GLN 114 HB2 GLN 114 30.475 -3.643 -11.583 856 2HB GLN 114 HB3 GLN 114 30.409 -2.521 -12.936 857 1HG GLN 114 HG2 GLN 114 32.571 -3.598 -12.868 858 2HG GLN 114 HG3 GLN 114 32.787 -1.895 -12.550 859 1HE2 GLN 114 HE22 GLN 114 34.204 -1.484 -10.841 860 2HE2 GLN 114 HE21 GLN 114 34.545 -2.659 -9.550 861 HA PRO 115 HA PRO 115 31.873 2.345 -11.721 862 1HB PRO 115 HB2 PRO 115 33.737 3.095 -9.913 863 2HB PRO 115 HB3 PRO 115 31.999 3.084 -9.494 864 1HG PRO 115 HG2 PRO 115 34.068 0.935 -8.907 865 2HG PRO 115 HG3 PRO 115 32.898 1.682 -7.770 866 1HD PRO 115 HD2 PRO 115 32.412 -0.689 -9.055 867 2HD PRO 115 HD3 PRO 115 31.117 0.468 -8.656 868 H ASP 116 H ASP 116 33.958 3.233 -12.511 869 HA ASP 116 HA ASP 116 36.167 1.266 -12.883 870 1HB ASP 116 HB2 ASP 116 34.856 1.509 -14.974 871 2HB ASP 116 HB3 ASP 116 35.098 3.252 -14.924 872 H ILE 117 H ILE 117 35.097 4.687 -12.487 873 HA ILE 117 HA ILE 117 37.791 5.274 -11.402 874 HB ILE 117 HB ILE 117 38.128 7.218 -12.552 875 1HG1 ILE 117 HG12 ILE 117 36.294 8.115 -14.256 876 2HG1 ILE 117 HG13 ILE 117 35.176 7.336 -13.137 877 1HG2 ILE 117 HG21 ILE 117 38.034 6.798 -14.930 878 2HG2 ILE 117 HG22 ILE 117 38.434 5.299 -14.079 879 3HG2 ILE 117 HG23 ILE 117 36.790 5.558 -14.718 880 1HD1 ILE 117 HD11 ILE 117 36.260 8.749 -11.294 881 2HD1 ILE 117 HD12 ILE 117 37.246 9.498 -12.562 882 3HD1 ILE 117 HD13 ILE 117 35.480 9.677 -12.585 883 H VAL 118 H VAL 118 37.732 6.398 -9.493 884 HA VAL 118 HA VAL 118 35.264 7.780 -8.678 885 HB VAL 118 HB VAL 118 36.608 5.573 -7.055 886 1HG1 VAL 118 HG11 VAL 118 36.008 7.414 -5.547 887 2HG1 VAL 118 HG12 VAL 118 34.377 7.485 -6.246 888 3HG1 VAL 118 HG13 VAL 118 34.896 6.066 -5.313 889 1HG2 VAL 118 HG21 VAL 118 35.015 4.635 -8.658 890 2HG2 VAL 118 HG22 VAL 118 34.339 4.534 -7.035 891 3HG2 VAL 118 HG23 VAL 118 33.767 5.795 -8.151 892 H GLY 119 H GLY 119 35.802 9.655 -7.685 893 1HA GLY 119 HA2 GLY 119 37.762 10.358 -5.947 894 2HA GLY 119 HA3 GLY 119 38.590 10.504 -7.512 895 H PHE 120 H PHE 120 37.801 12.726 -5.678 896 HA PHE 120 HA PHE 120 35.343 13.858 -6.597 897 1HB PHE 120 HB2 PHE 120 35.815 15.706 -5.213 898 2HB PHE 120 HB3 PHE 120 36.252 14.249 -4.350 899 HD1 PHE 120 HD1 PHE 120 37.508 17.303 -6.003 900 HD2 PHE 120 HD2 PHE 120 38.600 13.783 -3.764 901 HE1 PHE 120 HE1 PHE 120 39.764 18.268 -5.586 902 HE2 PHE 120 HE2 PHE 120 40.856 14.747 -3.351 903 HZ PHE 120 HZ PHE 120 41.440 16.988 -4.262 904 H TYR 121 H TYR 121 35.033 15.757 -7.642 905 HA TYR 121 HA TYR 121 34.944 16.959 -9.474 906 1HB TYR 121 HB2 TYR 121 36.721 18.194 -8.139 907 2HB TYR 121 HB3 TYR 121 37.914 17.492 -9.219 908 HD1 TYR 121 HD1 TYR 121 38.439 18.683 -11.229 909 HD2 TYR 121 HD2 TYR 121 34.715 19.483 -9.200 910 HE1 TYR 121 HE1 TYR 121 38.000 20.561 -12.785 911 HE2 TYR 121 HE2 TYR 121 34.262 21.354 -10.752 912 HH TYR 121 HH TYR 121 35.029 22.583 -12.579 913 H TYR 122 H TYR 122 35.026 14.239 -9.935 914 HA TYR 122 HA TYR 122 36.173 14.226 -12.686 915 1HB TYR 122 HB2 TYR 122 35.806 11.820 -10.874 916 2HB TYR 122 HB3 TYR 122 36.293 11.791 -12.557 917 HD1 TYR 122 HD1 TYR 122 38.401 14.148 -12.323 918 HD2 TYR 122 HD2 TYR 122 37.637 10.495 -10.160 919 HE1 TYR 122 HE1 TYR 122 40.791 13.987 -11.753 920 HE2 TYR 122 HE2 TYR 122 40.028 10.277 -9.651 921 HH TYR 122 HH TYR 122 42.152 11.256 -9.840 922 HA PRO 123 HA PRO 123 31.872 13.429 -13.627 923 1HB PRO 123 HB2 PRO 123 31.987 12.764 -16.241 924 2HB PRO 123 HB3 PRO 123 32.481 14.392 -15.683 925 1HG PRO 123 HG2 PRO 123 34.256 12.005 -16.278 926 2HG PRO 123 HG3 PRO 123 34.453 13.696 -16.841 927 1HD PRO 123 HD2 PRO 123 35.738 12.644 -14.630 928 2HD PRO 123 HD3 PRO 123 35.302 14.377 -14.773 929 H MET 124 H MET 124 30.408 11.670 -14.232 930 HA MET 124 HA MET 124 31.264 8.967 -13.550 931 1HB MET 124 HB2 MET 124 29.015 9.881 -13.041 932 2HB MET 124 HB3 MET 124 28.701 10.095 -14.771 933 1HG MET 124 HG2 MET 124 28.986 7.611 -15.067 934 2HG MET 124 HG3 MET 124 29.137 7.455 -13.323 935 1HE MET 124 HE1 MET 124 26.926 9.632 -12.257 936 2HE MET 124 HE2 MET 124 25.609 8.474 -12.037 937 3HE MET 124 HE3 MET 124 27.273 8.004 -11.615 938 H THR 125 H THR 125 31.740 7.366 -15.036 939 HA THR 125 HA THR 125 32.520 8.202 -17.721 940 HB THR 125 HB THR 125 33.361 5.881 -17.868 941 HG1 THR 125 HG1 THR 125 32.375 5.633 -15.207 942 1HG2 THR 125 HG21 THR 125 34.165 7.162 -15.239 943 2HG2 THR 125 HG22 THR 125 35.077 5.961 -16.182 944 3HG2 THR 125 HG23 THR 125 34.818 7.589 -16.839 945 H GLN 126 H GLN 126 31.825 7.019 -19.678 946 HA GLN 126 HA GLN 126 29.100 7.049 -20.060 947 1HB GLN 126 HB2 GLN 126 30.763 7.271 -21.823 948 2HB GLN 126 HB3 GLN 126 31.268 5.595 -21.613 949 1HG GLN 126 HG2 GLN 126 29.884 5.800 -23.571 950 2HG GLN 126 HG3 GLN 126 29.055 4.812 -22.379 951 1HE2 GLN 126 HE21 GLN 126 27.169 5.765 -21.237 952 2HE2 GLN 126 HE22 GLN 126 26.310 7.106 -21.971 953 HA PRO 127 HA PRO 127 28.695 2.353 -19.785 954 1HB PRO 127 HB2 PRO 127 30.265 0.862 -18.056 955 2HB PRO 127 HB3 PRO 127 30.565 1.075 -19.805 956 1HG PRO 127 HG2 PRO 127 31.826 2.556 -17.499 957 2HG PRO 127 HG3 PRO 127 32.609 1.912 -18.971 958 1HD PRO 127 HD2 PRO 127 31.953 4.516 -18.681 959 2HD PRO 127 HD3 PRO 127 31.843 3.714 -20.271 960 H ILE 128 H ILE 128 29.714 4.121 -16.817 961 HA ILE 128 HA ILE 128 27.662 2.750 -15.247 962 HB ILE 128 HB ILE 128 29.608 4.959 -14.626 963 1HG1 ILE 128 HG12 ILE 128 30.411 3.331 -12.923 964 2HG1 ILE 128 HG13 ILE 128 29.256 2.143 -13.502 965 1HG2 ILE 128 HG21 ILE 128 28.838 4.968 -12.304 966 2HG2 ILE 128 HG22 ILE 128 27.477 5.375 -13.333 967 3HG2 ILE 128 HG23 ILE 128 27.599 3.748 -12.664 968 1HD1 ILE 128 HD11 ILE 128 30.465 1.863 -15.557 969 2HD1 ILE 128 HD12 ILE 128 31.459 3.295 -15.225 970 3HD1 ILE 128 HD13 ILE 128 31.663 1.849 -14.252 971 H LYS 129 H LYS 129 27.998 5.854 -16.994 972 HA LYS 129 HA LYS 129 25.452 6.941 -16.269 973 1HB LYS 129 HB2 LYS 129 27.037 7.125 -18.866 974 2HB LYS 129 HB3 LYS 129 25.485 7.927 -18.636 975 1HG LYS 129 HG2 LYS 129 26.361 9.214 -16.753 976 2HG LYS 129 HG3 LYS 129 27.940 8.420 -16.914 977 1HD LYS 129 HD2 LYS 129 28.239 9.351 -19.154 978 2HD LYS 129 HD3 LYS 129 26.609 10.065 -19.110 979 1HE LYS 129 HE2 LYS 129 27.252 11.457 -17.178 980 2HE LYS 129 HE3 LYS 129 28.866 10.734 -17.175 981 1HZ LYS 129 HZ1 LYS 129 29.246 11.708 -19.361 982 2HZ LYS 129 HZ2 LYS 129 27.746 12.363 -19.384 983 3HZ LYS 129 HZ3 LYS 129 28.845 12.876 -18.299 984 H ASP 130 H ASP 130 26.324 4.618 -18.858 985 HA ASP 130 HA ASP 130 23.666 4.240 -19.813 986 1HB ASP 130 HB2 ASP 130 25.634 3.582 -21.104 987 2HB ASP 130 HB3 ASP 130 26.078 2.392 -19.880 988 H ALA 131 H ALA 131 25.501 2.610 -17.225 989 HA ALA 131 HA ALA 131 23.537 0.648 -16.628 990 1HB ALA 131 HB1 ALA 131 24.654 0.450 -14.464 991 2HB ALA 131 HB2 ALA 131 25.863 0.614 -15.762 992 3HB ALA 131 HB3 ALA 131 25.481 1.992 -14.715 993 H VAL 132 H VAL 132 24.034 3.957 -15.201 994 HA VAL 132 HA VAL 132 21.801 3.796 -13.453 995 HB VAL 132 HB VAL 132 23.264 6.170 -14.676 996 1HG1 VAL 132 HG11 VAL 132 22.221 7.449 -12.707 997 2HG1 VAL 132 HG12 VAL 132 21.117 7.057 -14.037 998 3HG1 VAL 132 HG13 VAL 132 21.094 6.094 -12.548 999 1HG2 VAL 132 HG21 VAL 132 24.585 4.722 -13.089 1000 2HG2 VAL 132 HG22 VAL 132 24.310 6.356 -12.480 1001 3HG2 VAL 132 HG23 VAL 132 23.344 5.004 -11.852 1002 H GLU 133 H GLU 133 22.019 4.859 -16.899 1003 HA GLU 133 HA GLU 133 19.288 5.641 -17.135 1004 1HB GLU 133 HB2 GLU 133 20.996 6.200 -18.800 1005 2HB GLU 133 HB3 GLU 133 21.254 4.502 -19.162 1006 1HG GLU 133 HG2 GLU 133 19.934 5.548 -20.904 1007 2HG GLU 133 HG3 GLU 133 19.013 4.285 -20.101 1008 H THR 134 H THR 134 20.877 2.422 -17.514 1009 HA THR 134 HA THR 134 18.510 1.047 -18.309 1010 HB THR 134 HB THR 134 20.942 -0.056 -16.834 1011 HG1 THR 134 HG1 THR 134 21.588 1.046 -18.690 1012 1HG2 THR 134 HG21 THR 134 20.424 -2.149 -18.026 1013 2HG2 THR 134 HG22 THR 134 19.061 -1.672 -17.008 1014 3HG2 THR 134 HG23 THR 134 18.986 -1.396 -18.759 1015 H VAL 135 H VAL 135 19.930 1.634 -15.035 1016 HA VAL 135 HA VAL 135 17.944 0.192 -13.579 1017 HB VAL 135 HB VAL 135 19.716 2.552 -12.814 1018 1HG1 VAL 135 HG11 VAL 135 17.844 2.493 -11.229 1019 2HG1 VAL 135 HG12 VAL 135 18.043 0.742 -11.011 1020 3HG1 VAL 135 HG13 VAL 135 19.299 1.868 -10.450 1021 1HG2 VAL 135 HG21 VAL 135 21.108 0.875 -11.743 1022 2HG2 VAL 135 HG22 VAL 135 19.965 -0.422 -12.177 1023 3HG2 VAL 135 HG23 VAL 135 20.898 0.408 -13.423 1024 H TYR 136 H TYR 136 18.127 3.653 -14.592 1025 HA TYR 136 HA TYR 136 15.736 4.529 -13.410 1026 1HB TYR 136 HB2 TYR 136 17.325 6.096 -14.298 1027 2HB TYR 136 HB3 TYR 136 17.255 5.384 -15.893 1028 HD1 TYR 136 HD1 TYR 136 15.957 6.392 -17.539 1029 HD2 TYR 136 HD2 TYR 136 14.961 6.999 -13.380 1030 HE1 TYR 136 HE1 TYR 136 14.117 7.907 -18.203 1031 HE2 TYR 136 HE2 TYR 136 13.117 8.510 -14.040 1032 HH TYR 136 HH TYR 136 11.983 9.485 -15.783 1033 H GLN 137 H GLN 137 16.217 3.114 -16.727 1034 HA GLN 137 HA GLN 137 13.414 3.222 -17.316 1035 1HB GLN 137 HB2 GLN 137 15.599 1.464 -18.499 1036 2HB GLN 137 HB3 GLN 137 13.970 1.618 -19.155 1037 1HG GLN 137 HG2 GLN 137 16.018 3.858 -18.938 1038 2HG GLN 137 HG3 GLN 137 15.580 2.992 -20.397 1039 1HE2 GLN 137 HE21 GLN 137 15.493 5.787 -20.239 1040 2HE2 GLN 137 HE22 GLN 137 13.813 6.295 -20.380 1041 H ARG 138 H ARG 138 15.294 0.864 -15.471 1042 HA ARG 138 HA ARG 138 13.316 -1.231 -15.596 1043 1HB ARG 138 HB2 ARG 138 15.895 -0.814 -14.318 1044 2HB ARG 138 HB3 ARG 138 14.751 -1.274 -13.075 1045 1HG ARG 138 HG2 ARG 138 15.667 -3.283 -13.828 1046 2HG ARG 138 HG3 ARG 138 14.068 -3.242 -14.564 1047 1HD ARG 138 HD2 ARG 138 15.000 -2.617 -16.721 1048 2HD ARG 138 HD3 ARG 138 16.588 -2.289 -15.999 1049 HE ARG 138 HE ARG 138 15.866 -4.963 -15.402 1050 1HH1 ARG 138 HH21 ARG 138 16.847 -3.066 -18.245 1051 2HH1 ARG 138 HH22 ARG 138 17.672 -4.378 -19.002 1052 1HH2 ARG 138 HH11 ARG 138 16.919 -6.679 -16.389 1053 2HH2 ARG 138 HH12 ARG 138 17.697 -6.509 -17.923 1054 H LEU 139 H LEU 139 13.406 1.765 -13.767 1055 HA LEU 139 HA LEU 139 12.152 0.891 -11.430 1056 1HB LEU 139 HB2 LEU 139 12.075 3.570 -12.828 1057 2HB LEU 139 HB3 LEU 139 11.419 3.331 -11.219 1058 HG LEU 139 HG LEU 139 14.333 2.972 -11.995 1059 1HD1 LEU 139 HD11 LEU 139 12.880 5.155 -10.452 1060 2HD1 LEU 139 HD12 LEU 139 14.636 5.035 -10.660 1061 3HD1 LEU 139 HD13 LEU 139 13.599 5.296 -12.069 1062 1HD2 LEU 139 HD21 LEU 139 13.788 1.495 -10.091 1063 2HD2 LEU 139 HD22 LEU 139 14.764 2.862 -9.559 1064 3HD2 LEU 139 HD23 LEU 139 13.018 2.859 -9.245 1065 H GLU 140 H GLU 140 10.552 1.423 -14.530 1066 HA GLU 140 HA GLU 140 7.906 1.586 -13.258 1067 1HB GLU 140 HB2 GLU 140 7.034 1.755 -15.513 1068 2HB GLU 140 HB3 GLU 140 8.368 2.874 -15.275 1069 1HG GLU 140 HG2 GLU 140 9.892 1.255 -16.439 1070 2HG GLU 140 HG3 GLU 140 8.515 0.194 -16.735 1071 H GLY 141 H GLY 141 9.989 -0.950 -13.716 1072 1HA GLY 141 HA2 GLY 141 7.782 -2.963 -14.033 1073 2HA GLY 141 HA3 GLY 141 9.284 -3.042 -14.957 1074 H TRP 142 H TRP 142 10.783 -2.078 -12.388 1075 HA TRP 142 HA TRP 142 11.517 -4.534 -11.258 1076 1HB TRP 142 HB2 TRP 142 12.863 -2.501 -11.099 1077 2HB TRP 142 HB3 TRP 142 11.607 -1.694 -10.173 1078 HD1 TRP 142 HD1 TRP 142 14.595 -3.932 -9.779 1079 HE1 TRP 142 HE1 TRP 142 15.044 -4.411 -7.289 1080 HE3 TRP 142 HE3 TRP 142 10.263 -2.060 -7.741 1081 HZ2 TRP 142 HZ2 TRP 142 13.917 -3.676 -4.791 1082 HZ3 TRP 142 HZ3 TRP 142 9.984 -1.996 -5.291 1083 HH2 TRP 142 HH2 TRP 142 11.804 -2.779 -3.787 1084 H GLU 143 H GLU 143 10.760 -5.719 -9.601 1085 HA GLU 143 HA GLU 143 8.910 -4.568 -7.636 1086 1HB GLU 143 HB2 GLU 143 7.672 -5.764 -9.623 1087 2HB GLU 143 HB3 GLU 143 8.221 -7.259 -8.868 1088 1HG GLU 143 HG2 GLU 143 7.022 -6.568 -6.759 1089 2HG GLU 143 HG3 GLU 143 6.551 -5.064 -7.543 1090 H GLY 144 H GLY 144 11.803 -5.569 -7.858 1091 1HA GLY 144 HA2 GLY 144 12.342 -6.421 -5.384 1092 2HA GLY 144 HA3 GLY 144 11.934 -7.962 -6.158 1093 H ASN 145 H ASN 145 12.967 -7.790 -8.664 1094 HA ASN 145 HA ASN 145 15.897 -7.288 -8.239 1095 1HB ASN 145 HB2 ASN 145 14.420 -9.654 -9.409 1096 2HB ASN 145 HB3 ASN 145 15.994 -9.222 -10.048 1097 1HD2 ASN 145 HD22 ASN 145 17.738 -10.164 -9.109 1098 2HD2 ASN 145 HD21 ASN 145 17.748 -10.821 -7.479 1099 H GLY 146 H GLY 146 13.185 -6.729 -10.419 1100 1HA GLY 146 HA2 GLY 146 13.074 -5.758 -12.502 1101 2HA GLY 146 HA3 GLY 146 14.578 -4.911 -12.092 1102 H GLY 147 H GLY 147 14.399 -8.453 -12.209 1103 1HA GLY 147 HA2 GLY 147 15.238 -9.993 -13.673 1104 2HA GLY 147 HA3 GLY 147 15.469 -8.725 -14.882 1105 H PHE 148 H PHE 148 17.144 -7.418 -12.273 1106 HA PHE 148 HA PHE 148 19.688 -8.237 -13.336 1107 1HB PHE 148 HB2 PHE 148 18.953 -6.711 -10.814 1108 2HB PHE 148 HB3 PHE 148 20.583 -6.894 -11.452 1109 HD1 PHE 148 HD1 PHE 148 20.771 -6.266 -14.089 1110 HD2 PHE 148 HD2 PHE 148 17.846 -4.726 -11.335 1111 HE1 PHE 148 HE1 PHE 148 20.452 -4.265 -15.542 1112 HE2 PHE 148 HE2 PHE 148 17.617 -2.670 -12.716 1113 HZ PHE 148 HZ PHE 148 18.899 -2.450 -14.833 1114 H ALA 149 H ALA 149 21.261 -9.357 -12.316 1115 HA ALA 149 HA ALA 149 20.402 -11.705 -10.781 1116 1HB ALA 149 HB1 ALA 149 22.780 -12.397 -11.057 1117 2HB ALA 149 HB2 ALA 149 22.028 -11.985 -12.609 1118 3HB ALA 149 HB3 ALA 149 23.142 -10.841 -11.831 1119 H GLN 150 H GLN 150 21.411 -12.282 -8.792 1120 HA GLN 150 HA GLN 150 21.831 -9.968 -7.007 1121 1HB GLN 150 HB2 GLN 150 20.011 -11.809 -6.743 1122 2HB GLN 150 HB3 GLN 150 21.312 -12.850 -6.180 1123 1HG GLN 150 HG2 GLN 150 20.565 -10.146 -4.964 1124 2HG GLN 150 HG3 GLN 150 19.932 -11.688 -4.406 1125 1HE2 GLN 150 HE22 GLN 150 22.680 -9.521 -4.329 1126 2HE2 GLN 150 HE21 GLN 150 23.760 -10.590 -3.453 1127 H LEU 151 H LEU 151 23.841 -9.503 -6.348 1128 HA LEU 151 HA LEU 151 26.164 -10.793 -7.246 1129 1HB LEU 151 HB2 LEU 151 25.980 -8.400 -6.564 1130 2HB LEU 151 HB3 LEU 151 25.715 -8.899 -4.900 1131 HG LEU 151 HG LEU 151 28.022 -9.910 -4.871 1132 1HD1 LEU 151 HD11 LEU 151 28.338 -10.321 -7.300 1133 2HD1 LEU 151 HD12 LEU 151 28.285 -8.574 -7.603 1134 3HD1 LEU 151 HD13 LEU 151 29.613 -9.279 -6.663 1135 1HD2 LEU 151 HD21 LEU 151 27.740 -6.968 -5.602 1136 2HD2 LEU 151 HD22 LEU 151 27.655 -7.687 -3.989 1137 3HD2 LEU 151 HD23 LEU 151 29.191 -7.693 -4.863 1138 H ALA 152 H ALA 152 27.106 -12.632 -6.520 1139 HA ALA 152 HA ALA 152 26.979 -13.388 -3.656 1140 1HB ALA 152 HB1 ALA 152 26.405 -15.704 -4.263 1141 2HB ALA 152 HB2 ALA 152 25.125 -14.574 -4.733 1142 3HB ALA 152 HB3 ALA 152 26.227 -15.228 -5.969 1143 H VAL 153 H VAL 153 29.101 -12.260 -4.130 1144 HA VAL 153 HA VAL 153 31.287 -12.152 -4.609 1145 HB VAL 153 HB VAL 153 31.323 -15.076 -3.839 1146 1HG1 VAL 153 HG11 VAL 153 33.455 -14.468 -2.717 1147 2HG1 VAL 153 HG12 VAL 153 33.549 -14.074 -4.432 1148 3HG1 VAL 153 HG13 VAL 153 33.270 -12.782 -3.250 1149 1HG2 VAL 153 HG21 VAL 153 29.883 -14.011 -2.188 1150 2HG2 VAL 153 HG22 VAL 153 31.456 -14.309 -1.464 1151 3HG2 VAL 153 HG23 VAL 153 31.033 -12.667 -1.996 1152 H GLU 154 H GLU 154 29.917 -12.214 -6.880 1153 HA GLU 154 HA GLU 154 30.937 -14.134 -8.817 1154 1HB GLU 154 HB2 GLU 154 28.714 -12.858 -8.873 1155 2HB GLU 154 HB3 GLU 154 29.646 -11.406 -9.269 1156 1HG GLU 154 HG2 GLU 154 30.534 -12.609 -11.293 1157 2HG GLU 154 HG3 GLU 154 29.525 -13.998 -10.877 1158 H GLU 155 H GLU 155 32.451 -13.466 -10.551 1159 HA GLU 155 HA GLU 155 33.926 -10.968 -10.319 1160 1HB GLU 155 HB2 GLU 155 35.318 -13.693 -10.237 1161 2HB GLU 155 HB3 GLU 155 36.112 -12.164 -10.617 1162 1HG GLU 155 HG2 GLU 155 35.487 -11.297 -8.357 1163 2HG GLU 155 HG3 GLU 155 34.825 -12.888 -7.957 1164 H GLU 156 H GLU 156 35.048 -10.595 -12.433 1165 HA GLU 156 HA GLU 156 34.275 -12.381 -14.663 1166 1HB GLU 156 HB2 GLU 156 32.437 -10.732 -14.286 1167 2HB GLU 156 HB3 GLU 156 33.609 -9.420 -14.505 1168 1HG GLU 156 HG2 GLU 156 33.989 -10.069 -16.814 1169 2HG GLU 156 HG3 GLU 156 32.978 -11.508 -16.609