*HEADER    RNA BINDING PROTEIN                     06-SEP-16   5GVQ              
*TITLE     SOLUTION STRUCTURE OF THE FIRST RRM DOMAIN OF HUMAN SPLICEOSOMAL      
*TITLE    2 PROTEIN SF3B49                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPLICING FACTOR 3B SUBUNIT 4;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SPLICEOSOMAL PROTEIN SF3B49, PRE-MRNA-SPLICING FACTOR SF3B  
*COMPND   5 49 KDA SUBUNIT,SPLICEOSOME-ASSOCIATED PROTEIN 49,SAP 49;             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: SF3B4, SAP49;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    RRM, SF3B49, SF3B145, U2 SNRNP, RNA BINDING PROTEIN, STRUCTURAL       
*KEYWDS   2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.KUWASAKO,N.NAMEKI,K.TSUDA,M.TAKAHASHI,A.SATO,N.TOCHIO,M.INOUE,      
*AUTHOR   2 T.TERADA,T.KIGAWA,N.KOBAYASHI,M.SHIROUZU,T.ITO,T.SAKAMOTO,           
*AUTHOR   3 K.WAKAMATSU,P.GUNTERT,S.TAKAHASHI,S.YOKOYAMA,Y.MUTO,RIKEN STRUCTURAL 
*AUTHOR   4 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
*REVDAT   1   12-APR-17 5GVQ    0                                                
# Restraints file 1: RST.disang
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=78,72,76,77, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=75,69,73,74, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=72,68,70,71, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,80,79,75, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=84,88,92,87, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=86,95,93,94, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=82,99,85,86, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=103,108,106,107, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=101,110,104,105, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=116,122,120,121, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=112,125,115,116, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=129,134,132,133, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=131,137,135,136, &end
#
#  chirality for residue 12 atoms:  CG NE HD2 HD3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=127,149,130,131, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=151,163,154,155, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=169,175,173,174, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=165,180,168,169, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=184,189,187,188, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=182,192,185,186, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=194,202,197,198, &end
#
#  chirality for residue 17 atoms:  CA CG2 OG1 HB
 &rst iat=206,210,214,209, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=204,216,207,208, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=220,224,228,223, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=218,232,221,222, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=234,253,237,238, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=257,261,265,260, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=255,269,258,259, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=271,276,274,275, &end
#
#  chirality for residue 22 atoms:  N C HA2 HA3
 &rst iat=278,283,281,282, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=289,294,298,293, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=285,302,288,289, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=304,314,307,308, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=318,323,321,322, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=316,329,319,320, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=333,338,336,337, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=335,341,339,340, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=341,347,345,346, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=338,344,342,343, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=331,351,334,335, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=355,359,363,358, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=353,367,356,357, &end
#
#  chirality for residue 28 atoms:  CA OG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=369,378,372,373, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=380,393,383,384, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=405,399,403,404, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=402,396,400,401, &end
#
#  chirality for residue 30 atoms:  CG N HD2 HD3
 &rst iat=399,395,397,398, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=395,407,406,402, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=413,418,422,417, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=409,426,412,413, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=432,437,441,436, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=428,445,431,432, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=449,454,452,453, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=447,469,450,451, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=473,478,476,477, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=475,481,479,480, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=471,484,474,475, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 35 atoms:  CB CD1 CD2 HG
 &rst iat=490,495,499,494, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=486,503,489,490, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=505,523,508,509, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=527,532,530,531, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=529,534,538,533, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=525,542,528,529, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=546,551,549,550, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=548,554,552,553, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=544,559,547,548, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=561,569,564,565, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=571,576,574,575, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=588,582,586,587, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=585,579,583,584, &end
#
#  chirality for residue 41 atoms:  CG N HD2 HD3
 &rst iat=582,578,580,581, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=578,590,589,585, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=594,598,602,597, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=592,606,595,596, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=610,614,618,613, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=608,622,611,612, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=626,631,629,630, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=624,636,627,628, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=640,644,648,643, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=638,650,641,642, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=654,659,657,658, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=652,667,655,656, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 47 atoms:  CB SD HG2 HG3
 &rst iat=673,679,677,678, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=669,684,672,673, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=696,690,694,695, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=693,687,691,692, &end
#
#  chirality for residue 48 atoms:  CG N HD2 HD3
 &rst iat=690,686,688,689, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=686,698,697,693, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=702,707,705,706, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=704,710,708,709, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=710,716,714,715, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=707,713,711,712, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=700,720,703,704, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=722,732,725,726, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=736,741,739,740, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=738,744,742,743, &end
#
#  chirality for residue 51 atoms:  CG NE HD2 HD3
 &rst iat=741,747,745,746, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=734,756,737,738, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=760,764,768,763, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=758,772,761,762, &end
#
#  chirality for residue 53 atoms:  CA CG2 OG1 HB
 &rst iat=776,780,784,779, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=774,786,777,778, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=799,805,803,804, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=795,810,798,799, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=812,827,815,816, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=831,836,834,835, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=833,839,837,838, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=829,844,832,833, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=846,851,849,850, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=855,860,858,859, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=853,872,856,857, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=881,899,884,885, &end
#
#  chirality for residue 62 atoms:  CA CG1 CG2 HB
 &rst iat=903,907,911,906, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=901,915,904,905, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=919,924,922,923, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=921,927,925,926, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=917,930,920,921, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=932,950,935,936, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=954,959,957,958, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=956,961,965,960, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=952,969,955,956, &end
#
#  chirality for residue 66 atoms:  CA OG HB2 HB3
 &rst iat=973,978,976,977, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=971,980,974,975, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=984,989,987,988, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=986,992,990,991, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=982,995,985,986, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1001,1007,1005,1006, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=997,1010,1000,1001, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1014,1019,1017,1018, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1012,1022,1015,1016, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1024,1032,1027,1028, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1034,1044,1037,1038, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1048,1053,1051,1052, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1046,1065,1049,1050, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1067,1075,1070,1071, &end
#
#  chirality for residue 74 atoms:  CA CG2 CG1 HB
 &rst iat=1079,1083,1087,1082, &end
#
#  chirality for residue 74 atoms:  CB CD1 HG12 HG13
 &rst iat=1081,1090,1088,1089, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1077,1094,1080,1081, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1098,1103,1101,1102, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1100,1106,1104,1105, &end
#
#  chirality for residue 75 atoms:  CD NZ HE2 HE3
 &rst iat=1106,1112,1110,1111, &end
#
#  chirality for residue 75 atoms:  CG CE HD2 HD3
 &rst iat=1103,1109,1107,1108, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1096,1116,1099,1100, &end
#
#  chirality for residue 76 atoms:  CA CG2 CG1 HB
 &rst iat=1120,1124,1128,1123, &end
#
#  chirality for residue 76 atoms:  CB CD1 HG12 HG13
 &rst iat=1122,1131,1129,1130, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1118,1135,1121,1122, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1139,1144,1142,1143, &end
#
#  chirality for residue 77 atoms:  CB SD HG2 HG3
 &rst iat=1141,1147,1145,1146, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1137,1152,1140,1141, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1156,1161,1159,1160, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1154,1164,1157,1158, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1168,1173,1171,1172, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1170,1176,1174,1175, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1166,1181,1169,1170, &end
#
#  chirality for residue 80 atoms:  CA CG2 CG1 HB
 &rst iat=1185,1189,1193,1188, &end
#
#  chirality for residue 80 atoms:  CB CD1 HG12 HG13
 &rst iat=1187,1196,1194,1195, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1183,1200,1186,1187, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1204,1209,1207,1208, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1206,1212,1210,1211, &end
#
#  chirality for residue 81 atoms:  CD NZ HE2 HE3
 &rst iat=1212,1218,1216,1217, &end
#
#  chirality for residue 81 atoms:  CG CE HD2 HD3
 &rst iat=1209,1215,1213,1214, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1202,1222,1205,1206, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 82 atoms:  CB CD1 CD2 HG
 &rst iat=1228,1233,1237,1232, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1224,1241,1227,1228, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1243,1262,1246,1247, &end
#
#  chirality for residue 84 atoms:  N C HA2 HA3
 &rst iat=1264,1269,1267,1268, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1273,1278,1276,1277, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1275,1281,1279,1280, &end
#
#  chirality for residue 85 atoms:  CD NZ HE2 HE3
 &rst iat=1281,1287,1285,1286, &end
#
#  chirality for residue 85 atoms:  CG CE HD2 HD3
 &rst iat=1278,1284,1282,1283, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1271,1291,1274,1275, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1303,1297,1301,1302, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1300,1294,1298,1299, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1297,1293,1295,1296, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1293,1305,1304,1300, &end
#
#  chirality for residue 87 atoms:  CA CG2 CG1 HB
 &rst iat=1309,1313,1317,1312, &end
#
#  chirality for residue 87 atoms:  CB CD1 HG12 HG13
 &rst iat=1311,1320,1318,1319, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1307,1324,1310,1311, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1328,1333,1331,1332, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1330,1336,1334,1335, &end
#
#  chirality for residue 88 atoms:  CG NE HD2 HD3
 &rst iat=1333,1339,1337,1338, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1326,1348,1329,1330, &end
#
#  chirality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1366,1378,1369,1370, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1382,1387,1385,1386, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1384,1390,1388,1389, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1390,1396,1394,1395, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1387,1393,1391,1392, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1380,1400,1383,1384, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1402,1410,1405,1406, &end
#
#  chirality for residue 93 atoms:  CA OG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1412,1421,1415,1416, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1423,1431,1426,1427, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1435,1440,1438,1439, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1433,1448,1436,1437, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1452,1457,1455,1456, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1450,1462,1453,1454, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1466,1471,1469,1470, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1468,1474,1472,1473, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1474,1480,1478,1479, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1471,1477,1475,1476, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1464,1484,1467,1468, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1488,1493,1491,1492, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1486,1498,1489,1490, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1504,1509,1513,1508, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1500,1517,1503,1504, &end
#
#  chirality for residue 100 atoms:  CA OG HB2 HB3
 &rst iat=1521,1526,1524,1525, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1519,1528,1522,1523, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1530,1535,1533,1534, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1547,1541,1545,1546, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1544,1538,1542,1543, &end
#
#  chirality for residue 102 atoms:  CG N HD2 HD3
 &rst iat=1541,1537,1539,1540, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1537,1549,1548,1544, &end
#
#  chirality for residue 103 atoms:  CA OG HB2 HB3
 &rst iat=1553,1558,1556,1557, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1551,1560,1554,1555, &end
#
#  chirality for residue 104 atoms:  CA OG HB2 HB3
 &rst iat=1564,1569,1567,1568, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1562,1571,1565,1566, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1573,1578,1576,1577, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=78,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=84,82,80,78, &end
#
#  trans-omega constraint for residue 10
 &rst iat=103,101,99,84, &end
#
#  trans-omega constraint for residue 11
 &rst iat=114,112,110,103, &end
#
#  trans-omega constraint for residue 12
 &rst iat=129,127,125,114, &end
#
#  trans-omega constraint for residue 13
 &rst iat=153,151,149,129, &end
#
#  trans-omega constraint for residue 14
 &rst iat=167,165,163,153, &end
#
#  trans-omega constraint for residue 15
 &rst iat=184,182,180,167, &end
#
#  trans-omega constraint for residue 16
 &rst iat=196,194,192,184, &end
#
#  trans-omega constraint for residue 17
 &rst iat=206,204,202,196, &end
#
#  trans-omega constraint for residue 18
 &rst iat=220,218,216,206, &end
#
#  trans-omega constraint for residue 19
 &rst iat=236,234,232,220, &end
#
#  trans-omega constraint for residue 20
 &rst iat=257,255,253,236, &end
#
#  trans-omega constraint for residue 21
 &rst iat=273,271,269,257, &end
#
#  trans-omega constraint for residue 22
 &rst iat=280,278,276,273, &end
#
#  trans-omega constraint for residue 23
 &rst iat=287,285,283,280, &end
#
#  trans-omega constraint for residue 24
 &rst iat=306,304,302,287, &end
#
#  trans-omega constraint for residue 25
 &rst iat=318,316,314,306, &end
#
#  trans-omega constraint for residue 26
 &rst iat=333,331,329,318, &end
#
#  trans-omega constraint for residue 27
 &rst iat=355,353,351,333, &end
#
#  trans-omega constraint for residue 28
 &rst iat=371,369,367,355, &end
#
#  trans-omega constraint for residue 29
 &rst iat=382,380,378,371, &end
#
#  trans-omega constraint for residue 30
 &rst iat=405,395,393,382, &end
#
#  trans-omega constraint for residue 31
 &rst iat=411,409,407,405, &end
#
#  trans-omega constraint for residue 32
 &rst iat=430,428,426,411, &end
#
#  trans-omega constraint for residue 33
 &rst iat=449,447,445,430, &end
#
#  trans-omega constraint for residue 34
 &rst iat=473,471,469,449, &end
#
#  trans-omega constraint for residue 35
 &rst iat=488,486,484,473, &end
#
#  trans-omega constraint for residue 36
 &rst iat=507,505,503,488, &end
#
#  trans-omega constraint for residue 37
 &rst iat=527,525,523,507, &end
#
#  trans-omega constraint for residue 38
 &rst iat=546,544,542,527, &end
#
#  trans-omega constraint for residue 39
 &rst iat=563,561,559,546, &end
#
#  trans-omega constraint for residue 40
 &rst iat=573,571,569,563, &end
#
#  trans-omega constraint for residue 41
 &rst iat=588,578,576,573, &end
#
#  trans-omega constraint for residue 42
 &rst iat=594,592,590,588, &end
#
#  trans-omega constraint for residue 43
 &rst iat=610,608,606,594, &end
#
#  trans-omega constraint for residue 44
 &rst iat=626,624,622,610, &end
#
#  trans-omega constraint for residue 45
 &rst iat=640,638,636,626, &end
#
#  trans-omega constraint for residue 46
 &rst iat=654,652,650,640, &end
#
#  trans-omega constraint for residue 47
 &rst iat=671,669,667,654, &end
#
#  trans-omega constraint for residue 48
 &rst iat=696,686,684,671, &end
#
#  trans-omega constraint for residue 49
 &rst iat=702,700,698,696, &end
#
#  trans-omega constraint for residue 50
 &rst iat=724,722,720,702, &end
#
#  trans-omega constraint for residue 51
 &rst iat=736,734,732,724, &end
#
#  trans-omega constraint for residue 52
 &rst iat=760,758,756,736, &end
#
#  trans-omega constraint for residue 53
 &rst iat=776,774,772,760, &end
#
#  trans-omega constraint for residue 54
 &rst iat=790,788,786,776, &end
#
#  trans-omega constraint for residue 55
 &rst iat=797,795,793,790, &end
#
#  trans-omega constraint for residue 56
 &rst iat=814,812,810,797, &end
#
#  trans-omega constraint for residue 57
 &rst iat=831,829,827,814, &end
#
#  trans-omega constraint for residue 58
 &rst iat=848,846,844,831, &end
#
#  trans-omega constraint for residue 59
 &rst iat=855,853,851,848, &end
#
#  trans-omega constraint for residue 60
 &rst iat=876,874,872,855, &end
#
#  trans-omega constraint for residue 61
 &rst iat=883,881,879,876, &end
#
#  trans-omega constraint for residue 62
 &rst iat=903,901,899,883, &end
#
#  trans-omega constraint for residue 63
 &rst iat=919,917,915,903, &end
#
#  trans-omega constraint for residue 64
 &rst iat=934,932,930,919, &end
#
#  trans-omega constraint for residue 65
 &rst iat=954,952,950,934, &end
#
#  trans-omega constraint for residue 66
 &rst iat=973,971,969,954, &end
#
#  trans-omega constraint for residue 67
 &rst iat=984,982,980,973, &end
#
#  trans-omega constraint for residue 68
 &rst iat=999,997,995,984, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1014,1012,1010,999, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1026,1024,1022,1014, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1036,1034,1032,1026, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1048,1046,1044,1036, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1069,1067,1065,1048, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1079,1077,1075,1069, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1098,1096,1094,1079, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1120,1118,1116,1098, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1139,1137,1135,1120, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1156,1154,1152,1139, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1168,1166,1164,1156, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1185,1183,1181,1168, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1204,1202,1200,1185, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1226,1224,1222,1204, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1245,1243,1241,1226, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1266,1264,1262,1245, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1273,1271,1269,1266, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1303,1293,1291,1273, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1309,1307,1305,1303, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1328,1326,1324,1309, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1352,1350,1348,1328, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1382,1380,1378,1368, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1404,1402,1400,1382, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1414,1412,1410,1404, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1425,1423,1421,1414, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1435,1433,1431,1425, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1452,1450,1448,1435, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1466,1464,1462,1452, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1488,1486,1484,1466, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1502,1500,1498,1488, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1521,1519,1517,1502, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1532,1530,1528,1521, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1547,1537,1535,1532, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1553,1551,1549,1547, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1564,1562,1560,1553, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1575,1573,1571,1564, &end
#
# 9 ILE HA 11 GLU- HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 113, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 9 ILE HA 9 ILE HG12 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  93, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 ILE HA 9 ILE HG13 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  94, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 ILE HA 9 ILE QD1 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  96,  97,  98,
 &end
#
# 9 ILE HA 9 ILE QG1 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=  93,  94,
 &end
#
# 9 ILE HA 9 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  89,  90,  91,
 &end
#
# 9 ILE HB 11 GLU- HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 9 ILE HB 9 ILE QD1 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  96,  97,  98,
 &end
#
# 9 ILE HN 9 ILE QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=  89,  90,  91,
 &end
#
# 9 ILE QG1 11 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  93,  94,
 &end
#
# 9 ILE QG2 9 ILE HG12 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  89,  90,  91,
 &end
#
# 9 ILE QG2 9 ILE HG13 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  89,  90,  91,
 &end
#
# 9 ILE QG2 9 ILE QG1 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=  89,  90,  91,
 igr2=  93,  94,
 &end
#
# 11 GLU- HA 11 GLU- HG2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 11 GLU- HA 11 GLU- HG3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 121, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 11 GLU- QG 12 ARG+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 120, 121,
 &end
#
# 12 ARG+ HA 12 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ARG+ HA 12 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ARG+ HA 12 ARG+ QD 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 138, 139,
 &end
#
# 12 ARG+ HA 12 ARG+ QG 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 135, 136,
 &end
#
# 12 ARG+ HN 12 ARG+ HG2 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 12 ARG+ HN 12 ARG+ HG3 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 12 ARG+ HN 12 ARG+ QB 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 132, 133,
 &end
#
# 12 ARG+ HN 12 ARG+ QG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 135, 136,
 &end
#
# 13 ASN HB2 16 ALA QB 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN HB3 16 ALA QB 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN QB 13 ASN QD2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 156, 157,
 igr2= 161, 162,
 &end
#
# 13 ASN QB 16 ALA QB 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 156, 157,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN QD2 16 ALA QB 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 161, 162,
 igr2= 199, 200, 201,
 &end
#
# 14 GLN HA 16 ALA HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 195, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 14 GLN HA 17 THR HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 205, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 14 GLN HA 17 THR QG2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 211, 212, 213,
 &end
#
# 14 GLN HB2 15 ASP- HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HB3 15 ASP- HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HN 14 GLN QB 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 170, 171,
 &end
#
# 14 GLN HN 14 GLN QG 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 173, 174,
 &end
#
# 14 GLN QB 92 ALA QB 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 170, 171,
 igr2=1407,1408,1409,
 &end
#
# 14 GLN QB 93 SER HA 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 170, 171,
 &end
#
# 14 GLN QG 17 THR QG2 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 173, 174,
 igr2= 211, 212, 213,
 &end
#
# 14 GLN QG 92 ALA QB 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 173, 174,
 igr2=1407,1408,1409,
 &end
#
# 14 GLN QG 93 SER HA 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 173, 174,
 &end
#
# 15 ASP- HN 15 ASP- HB2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 ASP- HN 15 ASP- HB3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 ASP- HN 15 ASP- QB 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 187, 188,
 &end
#
# 15 ASP- HN 16 ALA HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 15 ASP- HN 17 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 205, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 ASP- QB 16 ALA HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 187, 188,
 &end
#
# 15 ASP- QB 67 GLU- QB 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 187, 188,
 igr2= 987, 988,
 &end
#
# 15 ASP- QB 67 GLU- QG 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 187, 188,
 igr2= 990, 991,
 &end
#
# 16 ALA HA 64 PHE QD 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 941, 949,
 &end
#
# 16 ALA HA 67 GLU- HA 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 985, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 16 ALA HA 67 GLU- QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 987, 988,
 &end
#
# 16 ALA HA 67 GLU- QG 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 990, 991,
 &end
#
# 16 ALA HA 70 ALA HN 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1025, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 16 ALA HA 70 ALA QB 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1029,1030,1031,
 &end
#
# 16 ALA HA 71 ASP- HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1035, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 16 ALA HN 16 ALA QB 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 199, 200, 201,
 &end
#
# 16 ALA HN 70 ALA QB 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1029,1030,1031,
 &end
#
# 16 ALA QB 17 THR HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HB2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HB3 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE QD 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 199, 200, 201,
 igr2= 941, 949,
 &end
#
# 16 ALA QB 66 SER HA 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 66 SER HB3 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 66 SER HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HA 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- QG 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 199, 200, 201,
 igr2= 990, 991,
 &end
#
# 16 ALA QB 70 ALA HN 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 199, 200, 201,
 &end
#
# 17 THR HA 17 THR QG2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 211, 212, 213,
 &end
#
# 17 THR HA 18 VAL HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 17 THR HA 18 VAL QG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 229, 230, 231,
 &end
#
# 17 THR HA 62 VAL HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 17 THR HA 63 GLU- HA 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 920, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 17 THR HA 63 GLU- HB2 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 922, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 17 THR HA 63 GLU- QG 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 925, 926,
 &end
#
# 17 THR HA 64 PHE HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 17 THR HA 64 PHE QD 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 941, 949,
 &end
#
# 17 THR HA 70 ALA QB 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1029,1030,1031,
 &end
#
# 17 THR HB 18 VAL HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 219, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 17 THR HB 92 ALA HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1403, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 17 THR HB 92 ALA QB 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1407,1408,1409,
 &end
#
# 17 THR HN 17 THR HB 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 17 THR HN 17 THR QG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 211, 212, 213,
 &end
#
# 17 THR HN 18 VAL HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 17 THR HN 70 ALA QB 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1029,1030,1031,
 &end
#
# 17 THR QG2 18 VAL HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 18 VAL HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 18 VAL HN 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 46 HIS  HB2 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HA 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HB2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HB3 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 211, 212, 213,
 igr2= 886, 887,
 &end
#
# 17 THR QG2 61 PHE QD 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 211, 212, 213,
 igr2= 890, 898,
 &end
#
# 17 THR QG2 62 VAL HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 62 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 211, 212, 213,
 igr2= 908, 909, 910,
 &end
#
# 17 THR QG2 62 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 211, 212, 213,
 igr2= 912, 913, 914,
 &end
#
# 17 THR QG2 63 GLU- HB2 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 63 GLU- HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 63 GLU- HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 64 PHE HN 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 92 ALA QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 211, 212, 213,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL HA 18 VAL QG1 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 225, 226, 227,
 &end
#
# 18 VAL HA 18 VAL QG2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 229, 230, 231,
 &end
#
# 18 VAL HA 19 TYR HB2 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 239, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 18 VAL HA 19 TYR HB3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 18 VAL HA 19 TYR HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 18 VAL HA 90 ASN HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1367, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 18 VAL HA 91 LYS+ HA 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 18 VAL HA 92 ALA HA 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 18 VAL HA 92 ALA HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1403, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 18 VAL HA 92 ALA QB 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL HB 19 TYR HN 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 18 VAL HB 74 ILE QD1 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1091,1092,1093,
 &end
#
# 18 VAL HB 89 VAL QG1 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1357,1358,1359,
 &end
#
# 18 VAL HB 90 ASN HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 223,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 18 VAL HN 18 VAL QG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 225, 226, 227,
 &end
#
# 18 VAL HN 18 VAL QG2 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 229, 230, 231,
 &end
#
# 18 VAL HN 61 PHE HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 884, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 18 VAL HN 62 VAL HB 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 906, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 18 VAL HN 62 VAL HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 902, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 18 VAL HN 64 PHE HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 933, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 18 VAL HN 92 ALA QB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL QG1 62 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 62 VAL QG1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 225, 226, 227,
 igr2= 908, 909, 910,
 &end
#
# 18 VAL QG1 64 PHE QE 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 225, 226, 227,
 igr2= 943, 947,
 &end
#
# 18 VAL QG1 70 ALA HA 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 70 ALA QB 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 225, 226, 227,
 igr2=1029,1030,1031,
 &end
#
# 18 VAL QG1 73 ALA QB 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 225, 226, 227,
 igr2=1072,1073,1074,
 &end
#
# 18 VAL QG1 74 ILE HG13 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 74 ILE HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 91 LYS+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 91 LYS+ QE 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 225, 226, 227,
 igr2=1394,1395,
 &end
#
# 18 VAL QG1 92 ALA HN 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 92 ALA QB 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 225, 226, 227,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL QG2 19 TYR HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 20 VAL QG2 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 229, 230, 231,
 igr2= 266, 267, 268,
 &end
#
# 18 VAL QG2 36 PHE QD 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 229, 230, 231,
 igr2= 514, 522,
 &end
#
# 18 VAL QG2 36 PHE QE 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 229, 230, 231,
 igr2= 516, 520,
 &end
#
# 18 VAL QG2 61 PHE HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HB 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL QG2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 229, 230, 231,
 igr2= 912, 913, 914,
 &end
#
# 18 VAL QG2 64 PHE HZ 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 64 PHE QD 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 229, 230, 231,
 igr2= 941, 949,
 &end
#
# 18 VAL QG2 64 PHE QE 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 229, 230, 231,
 igr2= 943, 947,
 &end
#
# 18 VAL QG2 70 ALA HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 74 ILE HG13 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 90 ASN HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 229, 230, 231,
 &end
#
# 19 TYR HA 19 TYR QD 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 243, 252,
 &end
#
# 19 TYR HA 20 VAL HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 19 TYR HA 20 VAL QG2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 266, 267, 268,
 &end
#
# 19 TYR HA 61 PHE HA 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 884, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 19 TYR HA 61 PHE QD 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 890, 898,
 &end
#
# 19 TYR HA 62 VAL HN 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 902, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 19 TYR HA 92 ALA QB 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR HB2 20 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 TYR HB2 61 PHE QE 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 892, 896,
 &end
#
# 19 TYR HB2 92 ALA HA 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 239,1405, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 19 TYR HB2 92 ALA QB 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR HB3 20 VAL HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 19 TYR HB3 89 VAL QG1 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1357,1358,1359,
 &end
#
# 19 TYR HB3 90 ASN HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1367, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 19 TYR HN 19 TYR HB3 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 19 TYR HN 19 TYR QD 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 243, 252,
 &end
#
# 19 TYR HN 91 LYS+ HA 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1383, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 19 TYR HN 92 ALA HA 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1405, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 19 TYR HN 92 ALA HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1403, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 19 TYR HN 92 ALA QB 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR QD 20 VAL HA 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 20 VAL HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 21 GLY HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 61 PHE HZ 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 61 PHE QD 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 243, 252,
 igr2= 890, 898,
 &end
#
# 19 TYR QD 61 PHE QE 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 243, 252,
 igr2= 892, 896,
 &end
#
# 19 TYR QD 90 ASN HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 90 ASN QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 243, 252,
 igr2=1371,1372,
 &end
#
# 19 TYR QD 92 ALA HA 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 92 ALA QB 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 243, 252,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR QE 21 GLY HA2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 21 GLY HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR HB2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR HB3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR QB 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 245, 250,
 igr2= 858, 859,
 &end
#
# 19 TYR QE 59 TYR QD 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 245, 250,
 igr2= 862, 871,
 &end
#
# 19 TYR QE 59 TYR QE 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 245, 250,
 igr2= 864, 869,
 &end
#
# 19 TYR QE 61 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 250,
 &end
#
# 20 VAL HA 20 VAL QG1 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 262, 263, 264,
 &end
#
# 20 VAL HA 20 VAL QG2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 266, 267, 268,
 &end
#
# 20 VAL HA 21 GLY HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 272, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 20 VAL HA 23 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 299, 300, 301,
 &end
#
# 20 VAL HA 87 ILE HB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 20 VAL HA 87 ILE QD1 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL HA 88 ARG+ HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1327, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 20 VAL HA 89 VAL HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 20 VAL HA 89 VAL QG1 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1357,1358,1359,
 &end
#
# 20 VAL HA 89 VAL QG2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1361,1362,1363,
 &end
#
# 20 VAL HB 21 GLY HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 272, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 20 VAL HB 23 LEU QD1 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 295, 296, 297,
 &end
#
# 20 VAL HB 23 LEU QD2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 299, 300, 301,
 &end
#
# 20 VAL HB 36 PHE HZ 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 20 VAL HB 60 GLY HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 875, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 20 VAL HN 20 VAL HB 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 20 VAL HN 20 VAL QG1 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 262, 263, 264,
 &end
#
# 20 VAL HN 20 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 266, 267, 268,
 &end
#
# 20 VAL HN 21 GLY HN 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 20 VAL HN 59 TYR QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 858, 859,
 &end
#
# 20 VAL HN 60 GLY HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 875, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 20 VAL HN 61 PHE HA 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 884, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 20 VAL QG1 21 GLY HN 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 22 GLY HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 23 LEU HG 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 23 LEU QD1 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 262, 263, 264,
 igr2= 295, 296, 297,
 &end
#
# 20 VAL QG1 36 PHE HZ 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 36 PHE QE 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 262, 263, 264,
 igr2= 516, 520,
 &end
#
# 20 VAL QG1 59 TYR HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 60 GLY HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 62 VAL QG2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 262, 263, 264,
 igr2= 912, 913, 914,
 &end
#
# 20 VAL QG1 87 ILE HB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 87 ILE QD1 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 262, 263, 264,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL QG1 88 ARG+ HN 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 89 VAL HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 89 VAL QG2 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 262, 263, 264,
 igr2=1361,1362,1363,
 &end
#
# 20 VAL QG2 21 GLY HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 36 PHE HZ 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 36 PHE QE 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 266, 267, 268,
 igr2= 516, 520,
 &end
#
# 20 VAL QG2 61 PHE HA 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL HB 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL QG2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 266, 267, 268,
 igr2= 912, 913, 914,
 &end
#
# 20 VAL QG2 87 ILE QD1 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 266, 267, 268,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL QG2 89 VAL HA 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 89 VAL QG1 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 266, 267, 268,
 igr2=1357,1358,1359,
 &end
#
# 20 VAL QG2 89 VAL QG2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 266, 267, 268,
 igr2=1361,1362,1363,
 &end
#
# 21 GLY HA2 23 LEU QD1 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 295, 296, 297,
 &end
#
# 21 GLY HA2 59 TYR HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 856, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 21 GLY HA2 59 TYR HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 21 GLY HA2 59 TYR HB3 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 21 GLY HA2 59 TYR QB 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 858, 859,
 &end
#
# 21 GLY HA3 22 GLY HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 GLY HA3 59 TYR HA 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 856, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 GLY HA3 59 TYR HB2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 858, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 21 GLY HA3 59 TYR HB3 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 859, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 21 GLY HA3 59 TYR QB 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 858, 859,
 &end
#
# 21 GLY HN 22 GLY HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 279, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 21 GLY HN 88 ARG+ HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 272,1327, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 21 GLY HN 89 VAL HA 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 272,1353, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 21 GLY HN 89 VAL QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1361,1362,1363,
 &end
#
# 22 GLY HA2 23 LEU HG 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 22 GLY HA2 87 ILE HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 281,1310, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 22 GLY HA2 87 ILE QG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1314,1315,1316,
 &end
#
# 22 GLY HA3 87 ILE HA 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1310, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 22 GLY HA3 87 ILE QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1314,1315,1316,
 &end
#
# 22 GLY HA3 88 ARG+ HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1327, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 22 GLY HN 23 LEU HG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 293, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 22 GLY HN 23 LEU HN 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 22 GLY HN 23 LEU QD1 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 295, 296, 297,
 &end
#
# 22 GLY HN 59 TYR HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 856, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 22 GLY HN 59 TYR HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 22 GLY HN 59 TYR HB3 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 23 LEU HA 23 LEU QD1 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HA 23 LEU QD2 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 299, 300, 301,
 &end
#
# 23 LEU HA 24 ASP- HB2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 309, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HA 24 ASP- HB3 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 310, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 23 LEU HA 24 ASP- HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 23 LEU HA 27 VAL HB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 358, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 23 LEU HA 27 VAL QG2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU HA 82 LEU QD2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1238,1239,1240,
 &end
#
# 23 LEU HA 87 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1321,1322,1323,
 &end
#
# 23 LEU HA 87 ILE QG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1314,1315,1316,
 &end
#
# 23 LEU HB2 23 LEU QD1 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HB2 27 VAL HB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 358, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 23 LEU HB2 47 MET QE 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 681, 682, 683,
 &end
#
# 23 LEU HB2 56 HIS  HE1 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HB2 58 GLY HA2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 849, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 23 LEU HB2 58 GLY HA3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 850, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 23 LEU HB3 23 LEU QD1 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HB3 27 VAL HB 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 23 LEU HB3 27 VAL HN 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 354, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 23 LEU HB3 56 HIS  HE1 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 822, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 LEU HB3 58 GLY HA2 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 23 LEU HG 59 TYR HA 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 856, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 LEU HN 23 LEU HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 23 LEU HN 23 LEU HB3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 23 LEU HN 23 LEU HG 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 23 LEU HN 23 LEU QD1 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HN 23 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 299, 300, 301,
 &end
#
# 23 LEU HN 24 ASP- HA 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 23 LEU HN 24 ASP- HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 23 LEU HN 58 GLY HA2 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 849, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LEU HN 58 GLY HA3 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 23 LEU HN 59 TYR HA 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 856, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HN 87 ILE QG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1314,1315,1316,
 &end
#
# 23 LEU QD1 27 VAL HB 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 27 VAL QG1 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 295, 296, 297,
 igr2= 360, 361, 362,
 &end
#
# 23 LEU QD1 27 VAL QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 295, 296, 297,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU QD1 32 LEU QD1 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 295, 296, 297,
 igr2= 438, 439, 440,
 &end
#
# 23 LEU QD1 32 LEU QD2 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 295, 296, 297,
 igr2= 442, 443, 444,
 &end
#
# 23 LEU QD1 47 MET HG2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 47 MET HG3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 47 MET QE 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 295, 296, 297,
 igr2= 681, 682, 683,
 &end
#
# 23 LEU QD1 47 MET QG 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 295, 296, 297,
 igr2= 677, 678,
 &end
#
# 23 LEU QD1 56 HIS  QB 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 295, 296, 297,
 igr2= 817, 818,
 &end
#
# 23 LEU QD1 59 TYR HA 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 59 TYR HN 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 59 TYR QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 295, 296, 297,
 igr2= 858, 859,
 &end
#
# 23 LEU QD1 60 GLY HA2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 60 GLY HA3 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 60 GLY HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD2 24 ASP- HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 27 VAL HB 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 27 VAL QG2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 299, 300, 301,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU QD2 59 TYR HA 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 82 LEU HB3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 87 ILE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 87 ILE QG2 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 299, 300, 301,
 igr2=1314,1315,1316,
 &end
#
# 24 ASP- HA 25 GLU- HA 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 24 ASP- HA 25 GLU- HN 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 24 ASP- HA 26 LYS+ HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 332, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 24 ASP- HA 27 VAL QG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HA 85 LYS+ HD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1282, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 24 ASP- HA 85 LYS+ HD3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1283, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 24 ASP- HB2 26 LYS+ HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 24 ASP- HB2 27 VAL QG2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HB2 83 TYR QB 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1248,1249,
 &end
#
# 24 ASP- HB2 83 TYR QD 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1252,1261,
 &end
#
# 24 ASP- HB2 85 LYS+ HD2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 309,1282, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 24 ASP- HB2 85 LYS+ HD3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 309,1283, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 24 ASP- HB2 85 LYS+ QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1282,1283,
 &end
#
# 24 ASP- HB3 26 LYS+ HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 24 ASP- HB3 26 LYS+ QB 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 336, 337,
 &end
#
# 24 ASP- HB3 27 VAL HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 354, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 24 ASP- HB3 27 VAL QG2 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HB3 83 TYR HB2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1248, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 24 ASP- HB3 83 TYR HB3 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1249, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 24 ASP- HB3 83 TYR QB 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1248,1249,
 &end
#
# 24 ASP- HB3 83 TYR QD 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1252,1261,
 &end
#
# 24 ASP- HB3 85 LYS+ QD 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1282,1283,
 &end
#
# 24 ASP- HN 24 ASP- HB2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 24 ASP- HN 24 ASP- HB3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 24 ASP- HN 27 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 364, 365, 366,
 &end
#
# 25 GLU- HA 56 HIS  HE1 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 822, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 25 GLU- HB2 26 LYS+ HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 25 GLU- HB3 26 LYS+ HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 25 GLU- HG2 26 LYS+ HG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG2 26 LYS+ HG3 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG2 26 LYS+ HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 25 GLU- HG3 26 LYS+ HG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG3 26 LYS+ HG3 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG3 26 LYS+ HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 25 GLU- HN 25 GLU- HG2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 25 GLU- HN 25 GLU- HG3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 325, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 25 GLU- HN 25 GLU- QB 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 321, 322,
 &end
#
# 25 GLU- HN 25 GLU- QG 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 324, 325,
 &end
#
# 25 GLU- HN 26 LYS+ HN 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 25 GLU- QG 26 LYS+ QG 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 324, 325,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HA 26 LYS+ HD2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 LYS+ HA 26 LYS+ HD3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 LYS+ HA 26 LYS+ HG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 26 LYS+ HA 26 LYS+ HG3 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 340, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 26 LYS+ HA 26 LYS+ QD 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 342, 343,
 &end
#
# 26 LYS+ HA 26 LYS+ QE 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 345, 346,
 &end
#
# 26 LYS+ HA 26 LYS+ QG 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HE2 83 TYR QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1252,1261,
 &end
#
# 26 LYS+ HE2 83 TYR QE 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1254,1259,
 &end
#
# 26 LYS+ HE3 83 TYR QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1252,1261,
 &end
#
# 26 LYS+ HE3 83 TYR QE 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1254,1259,
 &end
#
# 26 LYS+ HN 26 LYS+ HB2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 LYS+ HN 26 LYS+ HB3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 LYS+ HN 26 LYS+ HD2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 26 LYS+ HN 26 LYS+ HD3 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 26 LYS+ HN 26 LYS+ QB 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 336, 337,
 &end
#
# 26 LYS+ HN 26 LYS+ QD 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 342, 343,
 &end
#
# 26 LYS+ HN 26 LYS+ QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 345, 346,
 &end
#
# 26 LYS+ HN 26 LYS+ QG 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HN 27 VAL HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 354, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 26 LYS+ HN 27 VAL QG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 364, 365, 366,
 &end
#
# 26 LYS+ QB 26 LYS+ QD 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 336, 337,
 igr2= 342, 343,
 &end
#
# 26 LYS+ QB 26 LYS+ QE 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 336, 337,
 igr2= 345, 346,
 &end
#
# 26 LYS+ QB 83 TYR QE 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 336, 337,
 igr2=1254,1259,
 &end
#
# 26 LYS+ QD 83 TYR QE 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 342, 343,
 igr2=1254,1259,
 &end
#
# 26 LYS+ QE 83 TYR QB 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 345, 346,
 igr2=1248,1249,
 &end
#
# 26 LYS+ QE 83 TYR QD 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 345, 346,
 igr2=1252,1261,
 &end
#
# 27 VAL HA 27 VAL QG1 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 360, 361, 362,
 &end
#
# 27 VAL HA 27 VAL QG2 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 364, 365, 366,
 &end
#
# 27 VAL HA 28 SER HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 370, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 27 VAL HA 31 LEU HB2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 414, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 27 VAL HA 31 LEU HB3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 415, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 27 VAL HA 31 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HA 31 LEU QD1 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 419, 420, 421,
 &end
#
# 27 VAL HA 31 LEU QD2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL HA 83 TYR QE 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1254,1259,
 &end
#
# 27 VAL HB 47 MET QE 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 681, 682, 683,
 &end
#
# 27 VAL HB 82 LEU QD2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL HN 27 VAL HB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 27 VAL HN 27 VAL QG1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 360, 361, 362,
 &end
#
# 27 VAL HN 27 VAL QG2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 364, 365, 366,
 &end
#
# 27 VAL HN 28 SER HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 27 VAL HN 31 LEU QD2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL HN 82 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL QG1 28 SER HA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 28 SER HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 28 SER QB 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 360, 361, 362,
 igr2= 374, 375,
 &end
#
# 27 VAL QG1 31 LEU HB2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU HB3 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU QD2 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 360, 361, 362,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL QG1 32 LEU HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU HG 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU HN 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU QD1 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 360, 361, 362,
 igr2= 438, 439, 440,
 &end
#
# 27 VAL QG1 32 LEU QD2 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 360, 361, 362,
 igr2= 442, 443, 444,
 &end
#
# 27 VAL QG2 82 LEU HB2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU HB3 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU HG 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU QD1 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 364, 365, 366,
 igr2=1234,1235,1236,
 &end
#
# 27 VAL QG2 82 LEU QD2 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 364, 365, 366,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL QG2 83 TYR QD 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365, 366,
 igr2=1252,1261,
 &end
#
# 27 VAL QG2 83 TYR QE 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365, 366,
 igr2=1254,1259,
 &end
#
# 28 SER HA 47 MET QE 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 681, 682, 683,
 &end
#
# 28 SER HB2 29 GLU- HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 28 SER HB3 29 GLU- HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 28 SER HN 28 SER QB 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 374, 375,
 &end
#
# 28 SER HN 31 LEU HB2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 414, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 28 SER HN 31 LEU HB3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 28 SER HN 31 LEU HN 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 410, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 28 SER HN 31 LEU QD1 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 419, 420, 421,
 &end
#
# 28 SER HN 31 LEU QD2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 423, 424, 425,
 &end
#
# 28 SER HN 32 LEU HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 429, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 28 SER HN 47 MET QE 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 681, 682, 683,
 &end
#
# 28 SER QB 29 GLU- HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 374, 375,
 &end
#
# 28 SER QB 29 GLU- QB 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 374, 375,
 igr2= 385, 386,
 &end
#
# 28 SER QB 30  PRO HD2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 374, 375,
 &end
#
# 28 SER QB 30  PRO HD3 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 374, 375,
 &end
#
# 28 SER QB 30  PRO QG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 374, 375,
 igr2= 400, 401,
 &end
#
# 28 SER QB 47 MET QE 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 374, 375,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HA 29 GLU- HG2 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 29 GLU- HA 31 LEU HB3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 415, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 29 GLU- HA 32 LEU HB2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 433, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 GLU- HA 32 LEU HB3 1.80 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 29 GLU- HA 32 LEU HG 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 436, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 29 GLU- HA 32 LEU HN 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 429, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 29 GLU- HA 32 LEU QD2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 442, 443, 444,
 &end
#
# 29 GLU- HA 33 TRP HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 GLU- HA 45 THR QG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HA 47 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HA 47 MET QG 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 677, 678,
 &end
#
# 29 GLU- HB2 30  PRO HD3 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 GLU- HB3 30  PRO HD3 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 GLU- HG2 45 THR HB 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 643, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 29 GLU- HG2 45 THR QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HG2 46 HIS  HA 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 655, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 29 GLU- HG2 47 MET HB2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 674, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 29 GLU- HG2 47 MET HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 670, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 29 GLU- HG2 47 MET QG 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 677, 678,
 &end
#
# 29 GLU- HG3 45 THR QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HG3 46 HIS  HA 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 655, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 GLU- HG3 47 MET HB2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 674, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 29 GLU- HG3 47 MET HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 670, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 GLU- HG3 47 MET QE 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HG3 47 MET QG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 677, 678,
 &end
#
# 29 GLU- HN 29 GLU- HB2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 29 GLU- HN 29 GLU- HB3 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 29 GLU- HN 30  PRO HD2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 GLU- HN 30  PRO HD3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 29 GLU- HN 47 MET QE 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HN 47 MET QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 677, 678,
 &end
#
# 29 GLU- QB 30  PRO HD2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 385, 386,
 &end
#
# 30  PRO HA 30  PRO HG2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 30  PRO HA 30  PRO HG3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 401, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 30  PRO HA 30  PRO QG 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 400, 401,
 &end
#
# 30  PRO HA 33 TRP HB2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 30  PRO HA 33 TRP HB3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 453, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30  PRO HA 33 TRP HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 448, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 30  PRO HA 34 GLU- HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 472, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 30  PRO HB2 31 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 30  PRO HB3 31 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 30  PRO HD2 30  PRO HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 30  PRO HD2 30  PRO HB2 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 30  PRO HD2 30  PRO HB3 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 30  PRO HD2 30  PRO HG2 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30  PRO HD2 30  PRO HG3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30  PRO HD2 30  PRO QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 403, 404,
 &end
#
# 30  PRO HD2 30  PRO QG 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 400, 401,
 &end
#
# 30  PRO HD2 31 LEU HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 30  PRO HD3 30  PRO HB2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 30  PRO HD3 30  PRO HB3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 30  PRO HD3 30  PRO HG2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 30  PRO HD3 30  PRO HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 401, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 30  PRO HD3 30  PRO QB 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 403, 404,
 &end
#
# 30  PRO HD3 30  PRO QG 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 400, 401,
 &end
#
# 30  PRO HD3 31 LEU HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 410, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 30  PRO QB 31 LEU HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 403, 404,
 &end
#
# 30  PRO QG 31 LEU HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 400, 401,
 &end
#
# 31 LEU HA 31 LEU HG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 31 LEU HA 31 LEU QD1 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 419, 420, 421,
 &end
#
# 31 LEU HA 31 LEU QD2 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HA 34 GLU- HB2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 31 LEU HA 35 LEU HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 487, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 31 LEU HB2 31 LEU QD2 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HB2 32 LEU HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 429, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 31 LEU HB3 31 LEU QD2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HB3 32 LEU HA 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 431, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 31 LEU HB3 32 LEU HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 31 LEU HB3 32 LEU QD2 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 442, 443, 444,
 &end
#
# 31 LEU HB3 35 LEU QD2 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 500, 501, 502,
 &end
#
# 31 LEU HB3 82 LEU QD2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU HG 32 LEU HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 31 LEU HG 35 LEU HG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 494, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 31 LEU HG 35 LEU QD1 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 496, 497, 498,
 &end
#
# 31 LEU HG 35 LEU QD2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 500, 501, 502,
 &end
#
# 31 LEU HG 82 LEU QD2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU HN 31 LEU HB2 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 31 LEU HN 31 LEU HB3 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 31 LEU HN 31 LEU HG 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 417, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 31 LEU HN 31 LEU QD1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 419, 420, 421,
 &end
#
# 31 LEU HN 31 LEU QD2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HN 32 LEU HG 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 436, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 31 LEU HN 32 LEU HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 429, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 31 LEU HN 33 TRP HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 31 LEU QD1 32 LEU HA 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 32 LEU HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 34 GLU- HB2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 35 LEU HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 35 LEU QD1 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 419, 420, 421,
 igr2= 496, 497, 498,
 &end
#
# 31 LEU QD1 83 TYR QE 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 419, 420, 421,
 igr2=1254,1259,
 &end
#
# 31 LEU QD2 32 LEU HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 423, 424, 425,
 &end
#
# 31 LEU QD2 32 LEU HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 423, 424, 425,
 &end
#
# 31 LEU QD2 32 LEU QD1 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 423, 424, 425,
 igr2= 438, 439, 440,
 &end
#
# 31 LEU QD2 82 LEU QD1 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 423, 424, 425,
 igr2=1234,1235,1236,
 &end
#
# 31 LEU QD2 82 LEU QD2 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 423, 424, 425,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU QD2 83 TYR QE 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 423, 424, 425,
 igr2=1254,1259,
 &end
#
# 32 LEU HA 32 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 32 LEU HA 32 LEU QD1 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HA 32 LEU QD2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HA 35 LEU HB2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 491, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 32 LEU HA 35 LEU HB3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 492, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 32 LEU HA 35 LEU HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 487, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 32 LEU HA 35 LEU QD2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 500, 501, 502,
 &end
#
# 32 LEU HA 36 PHE QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 514, 522,
 &end
#
# 32 LEU HA 45 THR QG2 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB2 32 LEU QD1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HB2 32 LEU QD2 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HB2 33 TRP HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 32 LEU HB2 45 THR HB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 LEU HB2 45 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB2 62 VAL QG1 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 908, 909, 910,
 &end
#
# 32 LEU HB2 62 VAL QG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HB3 32 LEU QD1 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HB3 32 LEU QD2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HB3 33 TRP HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 32 LEU HB3 45 THR HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 LEU HB3 45 THR QG2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB3 62 VAL QG2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HG 33 TRP HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 448, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 32 LEU HG 45 THR HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 LEU HG 45 THR QG2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HG 62 VAL QG2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HN 32 LEU HB2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 32 LEU HN 32 LEU HB3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 LEU HN 32 LEU HG 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 436, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 32 LEU HN 32 LEU QD1 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HN 32 LEU QD2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HN 33 TRP HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 32 LEU QD1 33 TRP HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 36 PHE QD 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 438, 439, 440,
 igr2= 514, 522,
 &end
#
# 32 LEU QD1 36 PHE QE 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 438, 439, 440,
 igr2= 516, 520,
 &end
#
# 32 LEU QD1 45 THR HA 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 45 THR HB 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 45 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 438, 439, 440,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU QD1 46 HIS  HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 47 MET QE 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 438, 439, 440,
 igr2= 681, 682, 683,
 &end
#
# 32 LEU QD1 47 MET QG 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 438, 439, 440,
 igr2= 677, 678,
 &end
#
# 32 LEU QD1 60 GLY HA3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 60 GLY HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 61 PHE HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 62 VAL HA 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 62 VAL QG2 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 438, 439, 440,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU QD2 33 TRP HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 36 PHE QD 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 442, 443, 444,
 igr2= 514, 522,
 &end
#
# 32 LEU QD2 36 PHE QE 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 442, 443, 444,
 igr2= 516, 520,
 &end
#
# 32 LEU QD2 47 MET HG2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 47 MET HG3 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 60 GLY HA3 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 60 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 61 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 62 VAL QG2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 442, 443, 444,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HA 33 TRP HD1 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 TRP HA 33 TRP HE3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 33 TRP HA 36 PHE HB3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 511, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 33 TRP HA 36 PHE HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 506, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 TRP HA 42 VAL QG1 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HA 42 VAL QG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 603, 604, 605,
 &end
#
# 33 TRP HA 45 THR QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HA 62 VAL QG1 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 908, 909, 910,
 &end
#
# 33 TRP HA 62 VAL QG2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HB2 33 TRP HE3 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 467, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 33 TRP HB2 34 GLU- HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 472, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 33 TRP HB2 45 THR HB 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 643, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 33 TRP HB2 45 THR QG2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HB3 33 TRP HE3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 33 TRP HB3 34 GLU- HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 33 TRP HB3 45 THR QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HD1 34 GLU- HA 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 474, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 33 TRP HD1 34 GLU- HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 TRP HD1 36 PHE HN 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 33 TRP HD1 37 LEU HG 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 533, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 33 TRP HD1 37 LEU HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 526, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 33 TRP HD1 37 LEU QD1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 535, 536, 537,
 &end
#
# 33 TRP HD1 37 LEU QD2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 539, 540, 541,
 &end
#
# 33 TRP HD1 42 VAL HB 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 597, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 33 TRP HD1 42 VAL QG1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HD1 42 VAL QG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 603, 604, 605,
 &end
#
# 33 TRP HE1 37 LEU HG 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 533, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 33 TRP HE1 37 LEU QD2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 539, 540, 541,
 &end
#
# 33 TRP HE1 42 VAL HB 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 597, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 33 TRP HE3 34 GLU- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 TRP HE3 42 VAL QG1 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HE3 44 ASN HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 627, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 33 TRP HE3 45 THR HB 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 643, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 33 TRP HE3 45 THR HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 TRP HE3 45 THR QG2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HH2 43 VAL HA 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 611, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 33 TRP HN 33 TRP HB2 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 33 TRP HN 33 TRP HB3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 33 TRP HN 33 TRP HD1 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 33 TRP HN 33 TRP HE3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 33 TRP HN 34 GLU- HB2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 33 TRP HN 34 GLU- HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 33 TRP HN 35 LEU HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 487, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 33 TRP HN 45 THR QG2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HN 62 VAL QG2 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HZ2 42 VAL QG1 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HZ2 43 VAL HA 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 611, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 33 TRP HZ3 45 THR HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 639, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 33 TRP HZ3 45 THR QG2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 645, 646, 647,
 &end
#
# 34 GLU- HA 34 GLU- QG 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 479, 480,
 &end
#
# 34 GLU- HA 37 LEU HB2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 34 GLU- HA 37 LEU HB3 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 GLU- HA 37 LEU HG 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 533, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 34 GLU- HA 37 LEU HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 526, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 34 GLU- HA 37 LEU QD1 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HA 37 LEU QD2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 539, 540, 541,
 &end
#
# 34 GLU- HB2 35 LEU HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 GLU- HB2 35 LEU QD1 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 496, 497, 498,
 &end
#
# 34 GLU- HB3 37 LEU QD1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HG2 35 LEU HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 34 GLU- HG2 37 LEU QD1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HG3 35 LEU HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 34 GLU- HG3 37 LEU QD1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HN 34 GLU- HB2 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 34 GLU- HN 34 GLU- HG2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 479, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 34 GLU- HN 34 GLU- HG3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 480, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 34 GLU- HN 34 GLU- QG 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 479, 480,
 &end
#
# 34 GLU- HN 35 LEU HB2 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 34 GLU- HN 35 LEU HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 34 GLU- HN 36 PHE HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 506, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 34 GLU- HN 37 LEU QD1 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- QG 35 LEU HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 479, 480,
 &end
#
# 34 GLU- QG 37 LEU QD1 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 479, 480,
 igr2= 535, 536, 537,
 &end
#
# 35 LEU HA 35 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 35 LEU HA 35 LEU QD1 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HA 35 LEU QD2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HA 38 GLN HG3 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 553, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 35 LEU HA 38 GLN QE2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 557, 558,
 &end
#
# 35 LEU HB2 35 LEU QD1 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HB2 35 LEU QD2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HB2 36 PHE HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 506, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 35 LEU HB2 36 PHE QD 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 514, 522,
 &end
#
# 35 LEU HB3 35 LEU QD1 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HB3 35 LEU QD2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HB3 36 PHE HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 35 LEU HB3 36 PHE QD 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 514, 522,
 &end
#
# 35 LEU HB3 36 PHE QE 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 516, 520,
 &end
#
# 35 LEU HB3 77 MET QE 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1149,1150,1151,
 &end
#
# 35 LEU HG 36 PHE HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 35 LEU HG 36 PHE QD 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 514, 522,
 &end
#
# 35 LEU HN 35 LEU HB2 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 35 LEU HN 35 LEU HB3 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 35 LEU HN 35 LEU HG 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 35 LEU HN 35 LEU QD1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HN 35 LEU QD2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HN 36 PHE QD 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 514, 522,
 &end
#
# 35 LEU QD1 38 GLN HE21 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD1 38 GLN HE22 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD1 38 GLN HG3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD2 36 PHE HA 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 36 PHE HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 36 PHE QD 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 500, 501, 502,
 igr2= 514, 522,
 &end
#
# 35 LEU QD2 36 PHE QE 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 500, 501, 502,
 igr2= 516, 520,
 &end
#
# 35 LEU QD2 77 MET HB3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET HG2 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET QE 1.80 2.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 500, 501, 502,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HA 36 PHE QD 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 514, 522,
 &end
#
# 36 PHE HA 38 GLN HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 549, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 36 PHE HA 38 GLN HG3 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 553, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 36 PHE HA 38 GLN HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 545, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 36 PHE HA 39 ALA HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 562, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 36 PHE HA 39 ALA QB 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 566, 567, 568,
 &end
#
# 36 PHE HA 40 GLY HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 36 PHE HA 42 VAL QG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HA 62 VAL QG1 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HA 64 PHE HZ 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 945, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 36 PHE HA 73 ALA QB 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE HA 76 ILE QD1 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1132,1133,1134,
 &end
#
# 36 PHE HA 77 MET QE 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HB2 37 LEU HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 526, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 36 PHE HB2 42 VAL QG1 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 599, 600, 601,
 &end
#
# 36 PHE HB2 42 VAL QG2 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HB2 45 THR QG2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 645, 646, 647,
 &end
#
# 36 PHE HB2 62 VAL QG1 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HB2 62 VAL QG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HB2 64 PHE HZ 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 945, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 36 PHE HB3 37 LEU HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 36 PHE HB3 42 VAL QG2 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HB3 62 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HB3 64 PHE HZ 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 945, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 36 PHE HB3 64 PHE QE 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 943, 947,
 &end
#
# 36 PHE HB3 77 MET QE 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HN 36 PHE HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 36 PHE HN 36 PHE HB3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 36 PHE HN 36 PHE QD 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 514, 522,
 &end
#
# 36 PHE HN 36 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 516, 520,
 &end
#
# 36 PHE HN 37 LEU HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 530, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 36 PHE HN 37 LEU HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 526, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 36 PHE HN 38 GLN HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 545, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 36 PHE HN 42 VAL QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HN 62 VAL QG1 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HN 62 VAL QG2 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HN 64 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HN 77 MET QE 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HZ 62 VAL QG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HZ 77 MET HB2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 518,1142, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 36 PHE HZ 77 MET HB3 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 518,1143, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 36 PHE HZ 89 VAL QG1 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1357,1358,1359,
 &end
#
# 36 PHE HZ 89 VAL QG2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1361,1362,1363,
 &end
#
# 36 PHE QD 37 LEU HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 514, 522,
 &end
#
# 36 PHE QD 42 VAL QG2 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 514, 522,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE QD 62 VAL QG1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 514, 522,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE QD 62 VAL QG2 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 514, 522,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE QD 64 PHE HZ 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 514, 522,
 &end
#
# 36 PHE QD 64 PHE QE 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 514, 522,
 igr2= 943, 947,
 &end
#
# 36 PHE QD 73 ALA QB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 514, 522,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE QD 77 MET QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 514, 522,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE QD 89 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 522,
 igr2=1361,1362,1363,
 &end
#
# 36 PHE QE 62 VAL QG2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 516, 520,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE QE 73 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 73 ALA QB 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 516, 520,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE QE 74 ILE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HB2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HB3 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HG2 1.80 5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HG3 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET QE 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 516, 520,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE QE 89 VAL QG1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 516, 520,
 igr2=1357,1358,1359,
 &end
#
# 37 LEU HA 37 LEU HG 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 37 LEU HA 37 LEU QD1 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HA 37 LEU QD2 1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HA 39 ALA HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 562, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 37 LEU HA 40 GLY HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 572, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 37 LEU HA 42 VAL HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 593, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 37 LEU HA 42 VAL QG2 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HB2 37 LEU QD1 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HB2 38 GLN HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 545, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 LEU HB3 37 LEU QD1 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HB3 37 LEU QD2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HB3 38 GLN HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 37 LEU HB3 42 VAL QG2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HG 42 VAL HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 37 LEU HG 42 VAL QG2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HN 37 LEU HB2 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 37 LEU HN 37 LEU HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 37 LEU HN 37 LEU HG 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 37 LEU HN 37 LEU QD1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HN 37 LEU QD2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HN 38 GLN HN 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 37 LEU HN 42 VAL QG2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD1 41  PRO HA 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 535, 536, 537,
 &end
#
# 37 LEU QD1 42 VAL HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 535, 536, 537,
 &end
#
# 37 LEU QD1 42 VAL QG2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 535, 536, 537,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD2 38 GLN HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 40 GLY HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 41  PRO HA 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 41  PRO HB3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL HA 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL QG1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 539, 540, 541,
 igr2= 599, 600, 601,
 &end
#
# 37 LEU QD2 42 VAL QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 539, 540, 541,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD2 64 PHE QE 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 539, 540, 541,
 igr2= 943, 947,
 &end
#
# 38 GLN HA 38 GLN HG2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 38 GLN HB2 38 GLN QE2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 557, 558,
 &end
#
# 38 GLN HB2 39 ALA HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 38 GLN HB2 39 ALA QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HB2 40 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 572, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 38 GLN HB2 76 ILE QD1 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1132,1133,1134,
 &end
#
# 38 GLN HB2 77 MET QE 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HE21 77 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HE22 77 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HG2 39 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 GLN HG3 38 GLN QE2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 557, 558,
 &end
#
# 38 GLN HG3 39 ALA HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 562, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 38 GLN HG3 39 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HG3 76 ILE QD1 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1132,1133,1134,
 &end
#
# 38 GLN HG3 77 MET QE 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HN 38 GLN HB2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 38 GLN HN 38 GLN HG3 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 38 GLN HN 38 GLN QE2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 557, 558,
 &end
#
# 38 GLN HN 39 ALA HN 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 562, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 38 GLN HN 39 ALA QB 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HN 40 GLY HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 572, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 38 GLN HN 42 VAL QG2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 603, 604, 605,
 &end
#
# 38 GLN HN 77 MET QE 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN QE2 77 MET QE 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 557, 558,
 igr2=1149,1150,1151,
 &end
#
# 39 ALA HA 72 TYR QD 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1055,1064,
 &end
#
# 39 ALA HA 72 TYR QE 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1057,1062,
 &end
#
# 39 ALA HA 76 ILE QD1 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA HN 39 ALA QB 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 566, 567, 568,
 &end
#
# 39 ALA HN 40 GLY HN 1.80 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 39 ALA HN 64 PHE HZ 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 945, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 39 ALA HN 64 PHE QE 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 943, 947,
 &end
#
# 39 ALA HN 73 ALA QB 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1072,1073,1074,
 &end
#
# 39 ALA HN 76 ILE QD1 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA HN 77 MET QE 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1149,1150,1151,
 &end
#
# 39 ALA QB 40 GLY HN 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 42 VAL QG2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 igr2= 603, 604, 605,
 &end
#
# 39 ALA QB 64 PHE HZ 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 64 PHE QE 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 566, 567, 568,
 igr2= 943, 947,
 &end
#
# 39 ALA QB 69 ASP- HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 69 ASP- HB3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 70 ALA HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HA 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HB3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HN 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR QD 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 566, 567, 568,
 igr2=1055,1064,
 &end
#
# 39 ALA QB 72 TYR QE 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 566, 567, 568,
 igr2=1057,1062,
 &end
#
# 39 ALA QB 73 ALA HA 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 73 ALA HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 74 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HG12 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HG13 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE QD1 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 566, 567, 568,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA QB 77 MET HG2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 77 MET HG3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 77 MET HN 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 566, 567, 568,
 &end
#
# 40 GLY HA2 41  PRO HD2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 GLY HA2 41  PRO HD3 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 GLY HA2 64 PHE QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 941, 949,
 &end
#
# 40 GLY HA2 69 ASP- HB3 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 574,1018, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40 GLY HA3 41  PRO HD2 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 GLY HA3 41  PRO HD3 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 GLY HA3 41  PRO QG 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 583, 584,
 &end
#
# 40 GLY HA3 64 PHE QE 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 943, 947,
 &end
#
# 40 GLY HA3 69 ASP- HB2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 40 GLY HA3 69 ASP- HB3 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1018, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 40 GLY HN 41  PRO HD2 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 40 GLY HN 41  PRO HD3 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 581, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 40 GLY HN 41  PRO QD 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 580, 581,
 &end
#
# 40 GLY HN 42 VAL QG2 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 603, 604, 605,
 &end
#
# 40 GLY HN 64 PHE HZ 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 945, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 40 GLY HN 64 PHE QE 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 943, 947,
 &end
#
# 40 GLY HN 73 ALA QB 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1072,1073,1074,
 &end
#
# 41  PRO HA 41  PRO HG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 583, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 41  PRO HA 41  PRO HG3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 41  PRO HA 42 VAL HB 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 597, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 41  PRO HA 42 VAL HN 1.80 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 41  PRO HA 42 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 603, 604, 605,
 &end
#
# 41  PRO HB2 42 VAL HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 41  PRO HB2 43 VAL QG2 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 619, 620, 621,
 &end
#
# 41  PRO HB2 65 LEU HB2 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 957, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 41  PRO HB2 65 LEU HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 953, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 41  PRO HB2 65 LEU QD1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HB3 42 VAL HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 41  PRO HB3 65 LEU HB2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 957, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 41  PRO HB3 65 LEU QD2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO HD2 41  PRO HB3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 41  PRO HD2 41  PRO HG2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD2 41  PRO HG3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD3 41  PRO HB3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 41  PRO HD3 41  PRO HG2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD3 41  PRO HG3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HG2 65 LEU HB2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 41  PRO HG2 65 LEU HB3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 41  PRO HG2 65 LEU QD1 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HG2 65 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO HG3 65 LEU HB2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 41  PRO HG3 65 LEU HB3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 41  PRO HG3 65 LEU QD1 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HG3 65 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO QD 41  PRO HB2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 580, 581,
 &end
#
# 41  PRO QD 41  PRO QG 1.80 2.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 580, 581,
 igr2= 583, 584,
 &end
#
# 41  PRO QD 64 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 580, 581,
 igr2= 941, 949,
 &end
#
# 41  PRO QD 65 LEU HB2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580, 581,
 &end
#
# 41  PRO QD 65 LEU QD2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 580, 581,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO QG 65 LEU HG 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 583, 584,
 &end
#
# 41  PRO QG 65 LEU HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 583, 584,
 &end
#
# 41  PRO QG 65 LEU QD1 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 583, 584,
 igr2= 962, 963, 964,
 &end
#
# 42 VAL HA 42 VAL QG1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 599, 600, 601,
 &end
#
# 42 VAL HA 42 VAL QG2 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 603, 604, 605,
 &end
#
# 42 VAL HA 43 VAL HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 42 VAL HA 43 VAL HB 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 613, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 42 VAL HA 43 VAL HN 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 609, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 42 VAL HA 43 VAL QG1 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 615, 616, 617,
 &end
#
# 42 VAL HA 43 VAL QG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 619, 620, 621,
 &end
#
# 42 VAL HA 44 ASN HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 625, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 42 VAL HA 62 VAL QG1 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL HA 64 PHE HA 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 935, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 42 VAL HA 64 PHE QD 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 941, 949,
 &end
#
# 42 VAL HA 65 LEU HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 953, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 42 VAL HN 42 VAL HB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 42 VAL HN 42 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 599, 600, 601,
 &end
#
# 42 VAL HN 42 VAL QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 603, 604, 605,
 &end
#
# 42 VAL HN 43 VAL HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 42 VAL HN 64 PHE QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 941, 949,
 &end
#
# 42 VAL QG1 43 VAL HA 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL HB 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL QG2 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 599, 600, 601,
 igr2= 619, 620, 621,
 &end
#
# 42 VAL QG1 44 ASN HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 45 THR HA 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 45 THR QG2 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 599, 600, 601,
 igr2= 645, 646, 647,
 &end
#
# 42 VAL QG1 62 VAL HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 62 VAL QG1 1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 599, 600, 601,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL QG1 62 VAL QG2 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 599, 600, 601,
 igr2= 912, 913, 914,
 &end
#
# 42 VAL QG1 63 GLU- HB3 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 63 GLU- HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 64 PHE HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG2 43 VAL HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 45 THR QG2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 603, 604, 605,
 igr2= 645, 646, 647,
 &end
#
# 42 VAL QG2 62 VAL QG1 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 603, 604, 605,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL QG2 64 PHE HA 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 64 PHE HZ 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 64 PHE QD 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 603, 604, 605,
 igr2= 941, 949,
 &end
#
# 42 VAL QG2 64 PHE QE 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 603, 604, 605,
 igr2= 943, 947,
 &end
#
# 43 VAL HA 43 VAL QG1 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 615, 616, 617,
 &end
#
# 43 VAL HA 43 VAL QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 619, 620, 621,
 &end
#
# 43 VAL HB 44 ASN HB2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 629, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 43 VAL HB 44 ASN HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 630, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 43 VAL HB 44 ASN HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 43 VAL HB 63 GLU- QG 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 925, 926,
 &end
#
# 43 VAL HN 43 VAL HB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 613, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 43 VAL HN 43 VAL QG1 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 615, 616, 617,
 &end
#
# 43 VAL HN 43 VAL QG2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 619, 620, 621,
 &end
#
# 43 VAL HN 44 ASN HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 625, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 43 VAL HN 62 VAL QG1 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 908, 909, 910,
 &end
#
# 43 VAL HN 63 GLU- HB3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 923, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 43 VAL HN 63 GLU- HN 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 918, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 43 VAL HN 64 PHE HA 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 935, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 43 VAL HN 64 PHE QD 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 941, 949,
 &end
#
# 43 VAL HN 65 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 953, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 43 VAL QG1 44 ASN HB2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HB3 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HD21 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 63 GLU- HB3 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 63 GLU- QG 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 615, 616, 617,
 igr2= 925, 926,
 &end
#
# 43 VAL QG1 64 PHE HA 1.80 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HA 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HB2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG2 44 ASN HB3 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 44 ASN HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- HB3 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- QG 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 619, 620, 621,
 igr2= 925, 926,
 &end
#
# 43 VAL QG2 64 PHE HA 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 64 PHE QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 619, 620, 621,
 igr2= 937, 938,
 &end
#
# 43 VAL QG2 65 LEU HA 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HB2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HB3 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU QD1 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 619, 620, 621,
 igr2= 962, 963, 964,
 &end
#
# 43 VAL QG2 65 LEU QD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 619, 620, 621,
 igr2= 966, 967, 968,
 &end
#
# 44 ASN HB2 45 THR HN 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 639, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 44 ASN HB3 45 THR HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 44 ASN HB3 63 GLU- HB3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 923, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 44 ASN HD22 46 HIS  HB2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 657, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 44 ASN HD22 46 HIS  HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 658, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 ASN HN 44 ASN HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 44 ASN HN 44 ASN HB3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 44 ASN HN 45 THR HA 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 641, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 44 ASN HN 45 THR HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 44 ASN HN 45 THR QG2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 645, 646, 647,
 &end
#
# 44 ASN HN 63 GLU- HB3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 923, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 44 ASN HN 63 GLU- HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 918, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 44 ASN HN 63 GLU- QG 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 925, 926,
 &end
#
# 44 ASN HN 64 PHE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 THR HA 45 THR QG2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 645, 646, 647,
 &end
#
# 45 THR HA 46 HIS  HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 45 THR HA 61 PHE HN 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 882, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 45 THR HA 62 VAL HA 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 904, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 45 THR HA 62 VAL QG1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 908, 909, 910,
 &end
#
# 45 THR HA 62 VAL QG2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 912, 913, 914,
 &end
#
# 45 THR HA 63 GLU- HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 918, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 45 THR HB 46 HIS  HN 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 45 THR HB 62 VAL HA 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 904, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 45 THR HB 62 VAL QG1 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 908, 909, 910,
 &end
#
# 45 THR HB 62 VAL QG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 912, 913, 914,
 &end
#
# 45 THR HN 45 THR QG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 645, 646, 647,
 &end
#
# 45 THR QG2 46 HIS  HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 645, 646, 647,
 &end
#
# 45 THR QG2 62 VAL HA 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 645, 646, 647,
 &end
#
# 45 THR QG2 62 VAL QG1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 645, 646, 647,
 igr2= 908, 909, 910,
 &end
#
# 45 THR QG2 62 VAL QG2 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 645, 646, 647,
 igr2= 912, 913, 914,
 &end
#
# 45 THR QG2 63 GLU- HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 645, 646, 647,
 &end
#
# 46 HIS  HA 47 MET HB2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 674, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 46 HIS  HA 47 MET HN 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 46 HIS  HA 47 MET QG 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 677, 678,
 &end
#
# 46 HIS  HB2 61 PHE QB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 886, 887,
 &end
#
# 46 HIS  HB3 61 PHE HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 882, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 46 HIS  HB3 61 PHE QB 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 886, 887,
 &end
#
# 46 HIS  HE1 48  PRO HA 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 697, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 46 HIS  HE1 48  PRO QB 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 694, 695,
 &end
#
# 46 HIS  HE1 48  PRO QG 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 691, 692,
 &end
#
# 46 HIS  HE1 49 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 46 HIS  HB2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 46 HIS  HN 46 HIS  HB3 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 46 HIS  HN 47 MET HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 46 HIS  HN 48  PRO HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 60 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 61 PHE HB2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 886, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 46 HIS  HN 61 PHE HB3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 887, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 46 HIS  HN 61 PHE HN 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 882, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 46 HIS  HN 61 PHE QB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 886, 887,
 &end
#
# 46 HIS  HN 62 VAL HA 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 904, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 46 HIS  HN 62 VAL QG2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 912, 913, 914,
 &end
#
# 47 MET HA 47 MET HG2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 47 MET HA 47 MET HG3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 47 MET HA 47 MET QG 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 677, 678,
 &end
#
# 47 MET HA 48  PRO HD2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 688, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 47 MET HA 48  PRO HD3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 689, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 47 MET HA 60 GLY HA2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 877, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 47 MET HA 61 PHE HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 882, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 47 MET HB2 47 MET QE 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HB3 47 MET QE 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG2 47 MET QE 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG2 60 GLY HA2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47 MET HG2 60 GLY HA3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 47 MET HG3 47 MET QE 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG3 60 GLY HA2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47 MET HG3 60 GLY HA3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 47 MET HN 47 MET HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 MET HN 47 MET HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 MET HN 47 MET QG 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 677, 678,
 &end
#
# 47 MET QE 56 HIS  HB2 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HD2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HE1 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 57 GLN HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 58 GLY HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 59 TYR HA 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 59 TYR HN 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HA2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HA3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 61 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QG 48  PRO HD3 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 677, 678,
 &end
#
# 47 MET QG 60 GLY HA2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 677, 678,
 &end
#
# 47 MET QG 61 PHE HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 677, 678,
 &end
#
# 48  PRO HA 48  PRO QG 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 691, 692,
 &end
#
# 48  PRO HA 49 LYS+ HN 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 48  PRO HA 49 LYS+ QB 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 705, 706,
 &end
#
# 48  PRO HA 49 LYS+ QD 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 711, 712,
 &end
#
# 48  PRO HA 49 LYS+ QG 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 708, 709,
 &end
#
# 48  PRO HB2 49 LYS+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 48  PRO HB2 59 TYR QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 864, 869,
 &end
#
# 48  PRO HB3 49 LYS+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 48  PRO HB3 59 TYR QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 864, 869,
 &end
#
# 48  PRO HD2 48  PRO HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 48  PRO HD2 48  PRO HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 48  PRO HD2 48  PRO HG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 48  PRO HD2 48  PRO HG3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 48  PRO HD2 48  PRO QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 694, 695,
 &end
#
# 48  PRO HD2 48  PRO QG 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 691, 692,
 &end
#
# 48  PRO HD2 59 TYR QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 864, 869,
 &end
#
# 48  PRO HD2 60 GLY HA2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 877, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 48  PRO HD3 48  PRO HB2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 48  PRO HD3 48  PRO HB3 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 48  PRO HD3 48  PRO HG2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 48  PRO HD3 48  PRO HG3 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 692, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 48  PRO HD3 48  PRO QB 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 694, 695,
 &end
#
# 48  PRO HD3 48  PRO QG 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 691, 692,
 &end
#
# 48  PRO HD3 59 TYR QE 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 864, 869,
 &end
#
# 48  PRO HD3 60 GLY HA2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 877, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 48  PRO HD3 61 PHE HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 882, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 48  PRO HD3 61 PHE QD 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 890, 898,
 &end
#
# 48  PRO HG2 59 TYR QE 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 864, 869,
 &end
#
# 48  PRO HG2 61 PHE QE 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 892, 896,
 &end
#
# 48  PRO HG3 59 TYR QE 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 864, 869,
 &end
#
# 48  PRO HG3 61 PHE QE 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 892, 896,
 &end
#
# 48  PRO QB 59 TYR QE 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 694, 695,
 igr2= 864, 869,
 &end
#
# 48  PRO QG 59 TYR QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 691, 692,
 igr2= 864, 869,
 &end
#
# 49 LYS+ HA 49 LYS+ HD2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 49 LYS+ HA 49 LYS+ HD3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 712, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 49 LYS+ HA 49 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS+ HA 49 LYS+ HE3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS+ HA 49 LYS+ QG 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 708, 709,
 &end
#
# 49 LYS+ HA 50 ASP- HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 727, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 49 LYS+ HA 50 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 49 LYS+ HA 56 HIS  HA 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 815, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 49 LYS+ HA 56 HIS  HB2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 817, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 49 LYS+ HA 56 HIS  HB3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 818, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 49 LYS+ HA 57 GLN HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 830, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 49 LYS+ HD2 56 HIS  HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 49 LYS+ HD3 56 HIS  HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 49 LYS+ HN 49 LYS+ HG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 708, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 49 LYS+ HN 49 LYS+ HG3 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 709, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 49 LYS+ HN 49 LYS+ QB 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 705, 706,
 &end
#
# 49 LYS+ HN 49 LYS+ QG 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 708, 709,
 &end
#
# 49 LYS+ QB 50 ASP- HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 54 GLY HA2 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 54 GLY HA3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 56 HIS  HA 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QD 56 HIS  HA 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 711, 712,
 &end
#
# 49 LYS+ QD 56 HIS  HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 711, 712,
 &end
#
# 50 ASP- HA 51 ARG+ HB3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 50 ASP- HA 51 ARG+ HG2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 742, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 50 ASP- HA 52 VAL HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 759, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 50 ASP- HB2 53 THR HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 50 ASP- HB2 54 GLY HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 789, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 50 ASP- HB2 55 GLN HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 796, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 50 ASP- HB2 57 GLN HG2 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 837, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 50 ASP- HB2 57 GLN HG3 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 838, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 50 ASP- HB2 57 GLN QG 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 837, 838,
 &end
#
# 50 ASP- HB3 52 VAL HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 759, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 50 ASP- HB3 53 THR HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 775, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 50 ASP- HB3 53 THR QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 781, 782, 783,
 &end
#
# 50 ASP- HB3 54 GLY HN 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 789, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 50 ASP- HB3 55 GLN HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 796, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 50 ASP- HN 50 ASP- HB2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 ASP- HN 50 ASP- HB3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 50 ASP- HN 55 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 796, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 50 ASP- HN 56 HIS  HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 815, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 50 ASP- HN 57 GLN HG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 837, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 50 ASP- HN 57 GLN HG3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 838, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 51 ARG+ HA 51 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 ARG+ HA 51 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 ARG+ HA 51 ARG+ HG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 51 ARG+ HA 54 GLY HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 789, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 51 ARG+ HB2 51 ARG+ QD 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 745, 746,
 &end
#
# 51 ARG+ HB2 52 VAL HA 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 761, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 51 ARG+ HB2 52 VAL HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 51 ARG+ HB3 51 ARG+ QD 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
# 51 ARG+ HB3 52 VAL HN 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 51 ARG+ HG2 52 VAL HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 51 ARG+ HG3 52 VAL HA 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 761, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 51 ARG+ HG3 52 VAL HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 759, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 51 ARG+ HG3 52 VAL QQG 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 51 ARG+ HN 51 ARG+ HG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 51 ARG+ HN 52 VAL HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 51 ARG+ QD 52 VAL QQG 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 745, 746,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HA 52 VAL QQG 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HB 53 THR HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 52 VAL HB 53 THR HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 775, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 52 VAL HB 53 THR QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 781, 782, 783,
 &end
#
# 52 VAL HN 52 VAL HB 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 52 VAL HN 52 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 765, 766, 767,
 &end
#
# 52 VAL HN 52 VAL QG2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 769, 770, 771,
 &end
#
# 52 VAL HN 52 VAL QQG 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HN 53 THR HA 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 777, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 52 VAL HN 53 THR QG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 781, 782, 783,
 &end
#
# 52 VAL HN 54 GLY HA2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 791, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 52 VAL HN 54 GLY HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 789, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 52 VAL QG1 53 THR HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 765, 766, 767,
 &end
#
# 52 VAL QG2 53 THR HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR HA 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR HN 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 765, 766, 767, 769, 770, 771,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HA 53 THR QG2 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HA 55 GLN HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 796, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 53 THR HB 54 GLY HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 789, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 53 THR HB 55 GLN HG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 53 THR HB 55 GLN HG3 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 804, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 53 THR HB 55 GLN HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 53 THR HB 55 GLN QB 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 800, 801,
 &end
#
# 53 THR HB 55 GLN QG 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 803, 804,
 &end
#
# 53 THR HG1 55 GLN HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 796, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 53 THR HN 53 THR HB 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 53 THR HN 53 THR HG1 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 53 THR HN 53 THR QG2 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HN 54 GLY HA2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 53 THR HN 54 GLY HA3 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 792, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 53 THR HN 54 GLY HN 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 789, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 53 THR HN 55 GLN HN 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 796, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 53 THR QG2 53 THR HG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 54 GLY HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 781, 782, 783,
 &end
#
# 54 GLY HN 55 GLN HN 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 796, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 55 GLN HA 55 GLN QG 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 803, 804,
 &end
#
# 55 GLN HA 56 HIS  HN 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 813, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 55 GLN HB2 56 HIS  HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 55 GLN HB3 56 HIS  HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 55 GLN HG2 56 HIS  HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 GLN HG3 56 HIS  HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 GLN HN 55 GLN HB2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 55 GLN HN 55 GLN HB3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 55 GLN HN 55 GLN HG2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 803, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 55 GLN HN 55 GLN HG3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 804, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 55 GLN HN 55 GLN QB 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 800, 801,
 &end
#
# 55 GLN HN 55 GLN QG 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 803, 804,
 &end
#
# 55 GLN HN 56 HIS  HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 55 GLN QB 56 HIS  HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 800, 801,
 &end
#
# 55 GLN QG 56 HIS  HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 803, 804,
 &end
#
# 56 HIS  HA 57 GLN QG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 837, 838,
 &end
#
# 56 HIS  HB2 57 GLN HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 56 HIS  HB3 57 GLN HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 56 HIS  HE1 58 GLY HA2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 849, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 56 HIS  HE1 58 GLY HA3 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 850, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 56 HIS  HN 56 HIS  HD2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 826, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 56 HIS  HN 56 HIS  QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 817, 818,
 &end
#
# 56 HIS  HN 57 GLN HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 830, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 57 GLN HA 57 GLN HG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 837, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 57 GLN HA 57 GLN HG3 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 838, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 57 GLN HA 57 GLN QG 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 837, 838,
 &end
#
# 57 GLN HB2 59 TYR HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 57 GLN HB2 59 TYR QD 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 862, 871,
 &end
#
# 57 GLN HB2 59 TYR QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 864, 869,
 &end
#
# 57 GLN HB3 59 TYR HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 57 GLN HB3 59 TYR QD 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 862, 871,
 &end
#
# 57 GLN HB3 59 TYR QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 864, 869,
 &end
#
# 57 GLN HN 57 GLN HG2 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 57 GLN HN 57 GLN HG3 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 57 GLN HN 57 GLN QG 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 837, 838,
 &end
#
# 57 GLN HN 59 TYR HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 57 GLN QB 59 TYR HN 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 834, 835,
 &end
#
# 57 GLN QB 59 TYR QE 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 834, 835,
 igr2= 864, 869,
 &end
#
# 59 TYR HA 59 TYR QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 862, 871,
 &end
#
# 59 TYR HA 60 GLY HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 875, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 59 TYR HB2 60 GLY HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 59 TYR HB3 60 GLY HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 59 TYR HN 59 TYR QD 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 862, 871,
 &end
#
# 59 TYR HN 59 TYR QE 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 864, 869,
 &end
#
# 59 TYR HN 60 GLY HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 875, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 59 TYR QB 60 GLY HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 858, 859,
 &end
#
# 59 TYR QD 60 GLY HA2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 862, 871,
 &end
#
# 59 TYR QD 60 GLY HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 862, 871,
 &end
#
# 59 TYR QD 61 PHE QE 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 862, 871,
 igr2= 892, 896,
 &end
#
# 59 TYR QE 61 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 864, 869,
 &end
#
# 59 TYR QE 61 PHE QD 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 864, 869,
 igr2= 890, 898,
 &end
#
# 59 TYR QE 61 PHE QE 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 864, 869,
 igr2= 892, 896,
 &end
#
# 60 GLY HA2 61 PHE HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 60 GLY HA2 61 PHE QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 890, 898,
 &end
#
# 60 GLY HA3 61 PHE HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 61 PHE HA 61 PHE QD 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 890, 898,
 &end
#
# 61 PHE HA 62 VAL HB 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 61 PHE HA 62 VAL HN 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 902, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 61 PHE HA 62 VAL QG2 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 912, 913, 914,
 &end
#
# 61 PHE HB2 62 VAL HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 61 PHE HB3 62 VAL HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 61 PHE HN 61 PHE HB2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 PHE HN 61 PHE HB3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 887, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 PHE HN 61 PHE QB 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 886, 887,
 &end
#
# 61 PHE HN 61 PHE QD 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 890, 898,
 &end
#
# 61 PHE QD 62 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 890, 898,
 &end
#
# 61 PHE QD 62 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 890, 898,
 igr2= 912, 913, 914,
 &end
#
# 61 PHE QD 92 ALA QB 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 890, 898,
 igr2=1407,1408,1409,
 &end
#
# 61 PHE QE 92 ALA HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 892, 896,
 &end
#
# 61 PHE QE 92 ALA QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 892, 896,
 igr2=1407,1408,1409,
 &end
#
# 62 VAL HA 62 VAL QG1 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 908, 909, 910,
 &end
#
# 62 VAL HA 62 VAL QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 912, 913, 914,
 &end
#
# 62 VAL HA 63 GLU- HB2 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 922, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 62 VAL HA 63 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 VAL HA 63 GLU- HN 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 62 VAL HB 64 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 943, 947,
 &end
#
# 62 VAL HN 62 VAL HB 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 906, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 62 VAL HN 62 VAL QG2 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 912, 913, 914,
 &end
#
# 62 VAL QG1 63 GLU- HB3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 63 GLU- HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HZ 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE QD 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 908, 909, 910,
 igr2= 941, 949,
 &end
#
# 62 VAL QG1 64 PHE QE 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 908, 909, 910,
 igr2= 943, 947,
 &end
#
# 62 VAL QG1 73 ALA QB 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 908, 909, 910,
 igr2=1072,1073,1074,
 &end
#
# 62 VAL QG2 64 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 912, 913, 914,
 igr2= 941, 949,
 &end
#
# 63 GLU- HA 64 PHE HN 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 63 GLU- HB2 64 PHE HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 933, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 63 GLU- HB3 64 PHE HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 933, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 63 GLU- HG2 64 PHE HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 63 GLU- HG3 64 PHE HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 926, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 63 GLU- HN 63 GLU- HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 63 GLU- HN 63 GLU- HB3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 923, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 63 GLU- HN 63 GLU- HG2 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 63 GLU- HN 63 GLU- HG3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 926, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 63 GLU- HN 63 GLU- QG 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 925, 926,
 &end
#
# 63 GLU- HN 64 PHE HN 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 63 GLU- QG 64 PHE HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 925, 926,
 &end
#
# 63 GLU- QG 65 LEU HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 925, 926,
 &end
#
# 64 PHE HA 64 PHE QD 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 941, 949,
 &end
#
# 64 PHE HA 65 LEU HA 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 955, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 64 PHE HA 65 LEU HB2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 957, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 64 PHE HA 65 LEU HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 953, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 64 PHE HB2 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 PHE HB2 69 ASP- HB2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64 PHE HB2 69 ASP- HB3 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 64 PHE HB2 70 ALA HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 64 PHE HB3 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 PHE HB3 69 ASP- HB2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64 PHE HB3 69 ASP- HB3 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 64 PHE HB3 70 ALA HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 64 PHE HN 64 PHE QB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 937, 938,
 &end
#
# 64 PHE HN 64 PHE QD 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 941, 949,
 &end
#
# 64 PHE HN 70 ALA QB 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE HZ 73 ALA QB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1072,1073,1074,
 &end
#
# 64 PHE QB 65 LEU HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 66 SER HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 69 ASP- HB2 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 70 ALA HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 70 ALA QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 937, 938,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE QD 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 66 SER HN 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 69 ASP- HB3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 70 ALA HA 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 70 ALA QB 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 941, 949,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE QE 70 ALA HA 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 943, 947,
 &end
#
# 64 PHE QE 73 ALA QB 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 943, 947,
 igr2=1072,1073,1074,
 &end
#
# 65 LEU HA 65 LEU HG 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 65 LEU HA 65 LEU QD1 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HA 66 SER HN 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 65 LEU HB2 65 LEU QD1 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HB2 65 LEU QD2 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HB2 66 SER HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 65 LEU HB3 65 LEU QD1 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HB3 65 LEU QD2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HB3 66 SER HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 974, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 65 LEU HB3 66 SER HB2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 976, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 65 LEU HB3 66 SER HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 972, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 65 LEU HG 66 SER HB2 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 976, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 65 LEU HG 66 SER HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65 LEU HN 65 LEU HB2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 65 LEU HN 65 LEU HB3 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 65 LEU HN 65 LEU HG 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 LEU HN 65 LEU QD1 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HN 65 LEU QD2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HN 66 SER HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 972, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 65 LEU HN 69 ASP- HB2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1017, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 65 LEU HN 69 ASP- HB3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1018, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 LEU QD2 66 SER HB2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 966, 967, 968,
 &end
#
# 66 SER HA 67 GLU- HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 SER HA 67 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 SER HA 67 GLU- HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 983, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 66 SER HA 68 GLU- HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 998, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 66 SER HB2 67 GLU- HN 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 983, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 66 SER HB2 67 GLU- QB 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 987, 988,
 &end
#
# 66 SER HB2 68 GLU- HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 66 SER HB2 68 GLU- QG 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1005,1006,
 &end
#
# 66 SER HB2 69 ASP- HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1013, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 66 SER HB3 67 GLU- HN 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 983, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 66 SER HB3 67 GLU- QB 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 987, 988,
 &end
#
# 66 SER HB3 68 GLU- HG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1005, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 66 SER HB3 68 GLU- HG3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 66 SER HB3 68 GLU- HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 998, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 66 SER HB3 69 ASP- HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1013, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 66 SER HN 66 SER HB2 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 66 SER HN 66 SER HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 977, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 66 SER HN 67 GLU- HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 66 SER HN 69 ASP- HB2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1017, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 66 SER HN 69 ASP- HB3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1018, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 66 SER HN 69 ASP- HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1013, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 67 GLU- HA 67 GLU- HG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 67 GLU- HA 67 GLU- HG3 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 991, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 67 GLU- HA 67 GLU- QG 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 990, 991,
 &end
#
# 67 GLU- HA 70 ALA HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1025, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 67 GLU- HA 70 ALA QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HA 71 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 67 GLU- HB2 70 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 GLU- HB2 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HB3 70 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 GLU- HB3 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HN 67 GLU- HB2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 987, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 67 GLU- HN 67 GLU- HB3 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 67 GLU- HN 67 GLU- HG2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 990, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 67 GLU- HN 67 GLU- HG3 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 991, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 67 GLU- HN 67 GLU- QB 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 987, 988,
 &end
#
# 67 GLU- HN 67 GLU- QG 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 990, 991,
 &end
#
# 67 GLU- HN 68 GLU- HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 998, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 67 GLU- HN 68 GLU- QG 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1005,1006,
 &end
#
# 67 GLU- QB 68 GLU- HN 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1= 987, 988,
 &end
#
# 67 GLU- QG 70 ALA QB 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 990, 991,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- QG 91 LYS+ QE 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 990, 991,
 igr2=1394,1395,
 &end
#
# 68 GLU- HA 68 GLU- QG 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1005,1006,
 &end
#
# 68 GLU- HA 70 ALA HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1025, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 68 GLU- HA 71 ASP- HB2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1039, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 GLU- HA 71 ASP- HB3 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1040, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 GLU- HA 71 ASP- HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1035, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 68 GLU- HA 71 ASP- QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1039,1040,
 &end
#
# 68 GLU- HA 72 TYR HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1047, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 68 GLU- HB2 69 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 68 GLU- HB3 69 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 68 GLU- HN 68 GLU- HB2 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1002, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 68 GLU- HN 68 GLU- HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 68 GLU- HN 68 GLU- HG2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1005, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 68 GLU- HN 68 GLU- HG3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1006, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 68 GLU- HN 68 GLU- QB 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1002,1003,
 &end
#
# 68 GLU- HN 68 GLU- QG 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1005,1006,
 &end
#
# 68 GLU- HN 69 ASP- HN 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 68 GLU- HN 70 ALA HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1025, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 68 GLU- HN 71 ASP- HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1035, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 68 GLU- QB 69 ASP- HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1002,1003,
 &end
#
# 68 GLU- QB 70 ALA HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1002,1003,
 &end
#
# 69 ASP- HA 70 ALA HA 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1027, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 69 ASP- HA 72 TYR HB2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1051, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 69 ASP- HA 72 TYR HB3 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1052, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 69 ASP- HA 72 TYR HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 69 ASP- HA 73 ALA HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1068, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 69 ASP- HB2 70 ALA HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1025, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 69 ASP- HB2 70 ALA QB 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1029,1030,1031,
 &end
#
# 69 ASP- HB3 70 ALA HN 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 69 ASP- HB3 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 69 ASP- HN 69 ASP- HB2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 69 ASP- HN 69 ASP- HB3 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 69 ASP- HN 70 ALA HN 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 70 ALA HA 72 TYR HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1047, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 70 ALA HA 73 ALA HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1068, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 70 ALA HA 73 ALA QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1072,1073,1074,
 &end
#
# 70 ALA HA 74 ILE HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 70 ALA HN 70 ALA QB 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1029,1030,1031,
 &end
#
# 70 ALA HN 71 ASP- HN 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 70 ALA HN 72 TYR HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1047, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 70 ALA HN 73 ALA HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 70 ALA HN 74 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1091,1092,1093,
 &end
#
# 70 ALA QB 71 ASP- HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 71 ASP- QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1029,1030,1031,
 igr2=1039,1040,
 &end
#
# 70 ALA QB 72 TYR HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 74 ILE QD1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1029,1030,1031,
 igr2=1091,1092,1093,
 &end
#
# 70 ALA QB 91 LYS+ HD2 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 91 LYS+ HD3 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 91 LYS+ QD 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,1031,
 igr2=1391,1392,
 &end
#
# 70 ALA QB 91 LYS+ QE 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1029,1030,1031,
 igr2=1394,1395,
 &end
#
# 71 ASP- HA 73 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1072,1073,1074,
 &end
#
# 71 ASP- HA 74 ILE HB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 ASP- HA 74 ILE HG12 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1088, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 71 ASP- HA 74 ILE HN 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1078, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 71 ASP- HA 74 ILE QD1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1091,1092,1093,
 &end
#
# 71 ASP- HA 74 ILE QG2 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1084,1085,1086,
 &end
#
# 71 ASP- HA 91 LYS+ QE 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1394,1395,
 &end
#
# 71 ASP- HB2 72 TYR HN 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1039,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 71 ASP- HB3 72 TYR HN 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 71 ASP- HN 71 ASP- HB2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 71 ASP- HN 71 ASP- HB3 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 71 ASP- HN 71 ASP- QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1039,1040,
 &end
#
# 71 ASP- HN 72 TYR HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 71 ASP- QB 72 TYR HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1039,1040,
 &end
#
# 71 ASP- QB 74 ILE HB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1039,1040,
 &end
#
# 71 ASP- QB 74 ILE QD1 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1039,1040,
 igr2=1091,1092,1093,
 &end
#
# 72 TYR HA 72 TYR QD 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1055,1064,
 &end
#
# 72 TYR HA 72 TYR QE 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1057,1062,
 &end
#
# 72 TYR HA 73 ALA HA 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1070, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 72 TYR HA 73 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HA 75 LYS+ HB2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1101, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 72 TYR HA 75 LYS+ HB3 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1102, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 72 TYR HA 75 LYS+ HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1097, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 72 TYR HA 75 LYS+ QD 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1107,1108,
 &end
#
# 72 TYR HA 75 LYS+ QG 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1104,1105,
 &end
#
# 72 TYR HA 76 ILE QG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1125,1126,1127,
 &end
#
# 72 TYR HB2 73 ALA HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 72 TYR HB3 73 ALA HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1068, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 72 TYR HB3 73 ALA QB 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HN 72 TYR HB2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 72 TYR HN 72 TYR HB3 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 72 TYR HN 72 TYR QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1055,1064,
 &end
#
# 72 TYR HN 73 ALA HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1068, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 72 TYR HN 73 ALA QB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HN 74 ILE HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR HN 74 ILE HG13 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR HN 75 LYS+ HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR QD 73 ALA HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 73 ALA HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 75 LYS+ HB3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 75 LYS+ QD 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1055,1064,
 igr2=1107,1108,
 &end
#
# 72 TYR QD 76 ILE QD1 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1055,1064,
 igr2=1132,1133,1134,
 &end
#
# 72 TYR QD 76 ILE QG2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1055,1064,
 igr2=1125,1126,1127,
 &end
#
# 72 TYR QE 76 ILE HG12 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1057,1062,
 &end
#
# 72 TYR QE 76 ILE HG13 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1057,1062,
 &end
#
# 72 TYR QE 76 ILE QD1 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1057,1062,
 igr2=1132,1133,1134,
 &end
#
# 72 TYR QE 76 ILE QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1057,1062,
 igr2=1125,1126,1127,
 &end
#
# 73 ALA HA 75 LYS+ HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1097, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 73 ALA HA 76 ILE HB 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1123, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 73 ALA HA 76 ILE HG12 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1129, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 73 ALA HA 76 ILE HG13 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1130, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 73 ALA HA 76 ILE HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1119, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 73 ALA HA 76 ILE QD1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1132,1133,1134,
 &end
#
# 73 ALA HA 76 ILE QG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1125,1126,1127,
 &end
#
# 73 ALA HA 77 MET HG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1145, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 73 ALA HA 77 MET HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1146, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 73 ALA HA 77 MET HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1138, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 73 ALA HN 73 ALA QB 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1072,1073,1074,
 &end
#
# 73 ALA HN 74 ILE HG13 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1089, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 73 ALA HN 74 ILE HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1078, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 73 ALA HN 74 ILE QD1 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1091,1092,1093,
 &end
#
# 73 ALA QB 74 ILE HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HG12 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HG13 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 76 ILE HG12 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 76 ILE QD1 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1072,1073,1074,
 igr2=1132,1133,1134,
 &end
#
# 73 ALA QB 77 MET HB3 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 77 MET HG2 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 77 MET HG3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 89 VAL QG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1072,1073,1074,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HA 74 ILE HG12 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 74 ILE HA 74 ILE HG13 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 74 ILE HA 74 ILE QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HA 74 ILE QG2 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1084,1085,1086,
 &end
#
# 74 ILE HA 77 MET HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1138, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 74 ILE HA 78 ASP- HA 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1157, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 74 ILE HA 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 ILE HA 78 ASP- QB 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1159,1160,
 &end
#
# 74 ILE HA 89 VAL HB 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1355, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 74 ILE HA 89 VAL HN 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1351, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 74 ILE HA 89 VAL QG1 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HA 89 VAL QG2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1361,1362,1363,
 &end
#
# 74 ILE HB 74 ILE QD1 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HB 75 LYS+ HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1097, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 74 ILE HB 90 ASN HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 74 ILE HG12 89 VAL HB 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1355, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 74 ILE HG12 89 VAL QG1 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HG12 90 ASN HA 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1369, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 74 ILE HG12 91 LYS+ HA 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1383, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 74 ILE HG13 75 LYS+ HN 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 74 ILE HG13 90 ASN HA 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 74 ILE HN 74 ILE HB 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 74 ILE HN 74 ILE HG12 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 74 ILE HN 74 ILE HG13 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 74 ILE HN 74 ILE QD1 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HN 74 ILE QG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1084,1085,1086,
 &end
#
# 74 ILE HN 75 LYS+ HN 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 74 ILE HN 89 VAL QG1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE QD1 75 LYS+ HN 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 90 ASN HA 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 90 ASN QB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1091,1092,1093,
 igr2=1371,1372,
 &end
#
# 74 ILE QD1 91 LYS+ HA 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HD2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HD3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HE2 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HE3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HG2 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ QD 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1091,1092,1093,
 igr2=1391,1392,
 &end
#
# 74 ILE QD1 91 LYS+ QE 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1091,1092,1093,
 igr2=1394,1395,
 &end
#
# 74 ILE QD1 92 ALA HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QG2 75 LYS+ HA 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 75 LYS+ HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HB2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HB3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 89 VAL HB 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HA 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1372, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1084,1085,1086,
 igr2=1371,1372,
 &end
#
# 74 ILE QG2 91 LYS+ HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ QD 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1084,1085,1086,
 igr2=1391,1392,
 &end
#
# 75 LYS+ HA 75 LYS+ HD2 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1107, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 75 LYS+ HA 75 LYS+ HD3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1108, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 75 LYS+ HA 75 LYS+ HG2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 75 LYS+ HA 75 LYS+ HG3 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1105, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 75 LYS+ HA 75 LYS+ QD 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1107,1108,
 &end
#
# 75 LYS+ HA 75 LYS+ QG 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1104,1105,
 &end
#
# 75 LYS+ HA 76 ILE HA 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1121, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 75 LYS+ HA 76 ILE QG2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB2 75 LYS+ QD 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1107,1108,
 &end
#
# 75 LYS+ HB2 76 ILE HN 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1119, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 75 LYS+ HB2 76 ILE QG2 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB3 76 ILE HA 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 75 LYS+ HB3 76 ILE HG12 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1129, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 75 LYS+ HB3 76 ILE HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 75 LYS+ HB3 76 ILE QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB3 77 MET HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1138, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 75 LYS+ HD2 76 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HD3 76 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HG2 76 ILE HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 75 LYS+ HG3 76 ILE HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 75 LYS+ HN 75 LYS+ HB2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 75 LYS+ HN 75 LYS+ HB3 1.80 2.79
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1102, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 75 LYS+ HN 75 LYS+ HG2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 75 LYS+ HN 75 LYS+ HG3 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 75 LYS+ HN 76 ILE HG12 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1129, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 75 LYS+ HN 76 ILE HN 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1119, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 75 LYS+ HN 76 ILE QG2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HN 77 MET HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1138, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 75 LYS+ HN 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LYS+ QG 76 ILE HA 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1104,1105,
 &end
#
# 75 LYS+ QG 76 ILE HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1104,1105,
 &end
#
# 75 LYS+ QG 76 ILE QG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1104,1105,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HA 76 ILE HG12 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 76 ILE HA 76 ILE HG13 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1130, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 76 ILE HA 76 ILE QD1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HA 76 ILE QG2 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HA 78 ASP- HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1155, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 76 ILE HB 76 ILE QD1 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HB 77 MET HG3 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1146, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 76 ILE HB 77 MET HN 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 76 ILE HG12 77 MET HG2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1145, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 76 ILE HG12 77 MET HG3 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1146, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 76 ILE HG12 77 MET HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1138, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 76 ILE HG13 77 MET HG2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 76 ILE HG13 77 MET HG3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1146, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 76 ILE HG13 77 MET HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 76 ILE HN 76 ILE HB 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 76 ILE HN 76 ILE HG12 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1129, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 76 ILE HN 76 ILE HG13 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1130, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 76 ILE HN 76 ILE QD1 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HN 76 ILE QG2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HN 77 MET HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 76 ILE HN 78 ASP- HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1155, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 76 ILE QD1 77 MET HG2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET HG3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET QE 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1132,1133,1134,
 igr2=1149,1150,1151,
 &end
#
# 76 ILE QG2 76 ILE HG12 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 76 ILE HG13 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 77 MET HG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 77 MET HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1125,1126,1127,
 &end
#
# 77 MET HB2 80 ILE QD1 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HB2 87 ILE QD1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1321,1322,1323,
 &end
#
# 77 MET HB2 89 VAL QG1 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HB2 89 VAL QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HB3 77 MET QE 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HB3 80 ILE QD1 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HB3 89 VAL QG1 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HB3 89 VAL QG2 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HG2 77 MET QE 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HG2 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 MET HG2 80 ILE QD1 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HG2 89 VAL QG2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HG3 77 MET QE 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HN 77 MET HB2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 77 MET HN 77 MET HB3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1143, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 MET HN 77 MET HG2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 77 MET HN 77 MET HG3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1146, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 77 MET HN 78 ASP- HN 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 77 MET HN 78 ASP- QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1159,1160,
 &end
#
# 77 MET HN 89 VAL QG1 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HN 89 VAL QG2 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HA 79 MET HN 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1167, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 78 ASP- HA 80 ILE HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1184, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 78 ASP- HA 80 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1197,1198,1199,
 &end
#
# 78 ASP- HA 88 ARG+ HA 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1329, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 78 ASP- HA 89 VAL HB 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1355, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 78 ASP- HA 89 VAL HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 78 ASP- HA 89 VAL QG1 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HA 89 VAL QG2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HB2 89 VAL HB 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 78 ASP- HB2 89 VAL HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 78 ASP- HB2 89 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HB2 89 VAL QG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HB3 89 VAL HB 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 78 ASP- HB3 89 VAL HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 78 ASP- HB3 89 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HB3 89 VAL QG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HN 78 ASP- HB2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 78 ASP- HN 78 ASP- HB3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 78 ASP- HN 78 ASP- QB 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1159,1160,
 &end
#
# 78 ASP- HN 79 MET HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1167, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 78 ASP- HN 80 ILE HB 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1188, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 78 ASP- HN 80 ILE HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1184, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 78 ASP- HN 80 ILE QD1 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1197,1198,1199,
 &end
#
# 78 ASP- HN 80 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
# 78 ASP- HN 89 VAL HB 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1355, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 78 ASP- HN 89 VAL QG2 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- QB 89 VAL HB 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1159,1160,
 &end
#
# 78 ASP- QB 89 VAL HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1159,1160,
 &end
#
# 78 ASP- QB 89 VAL QG1 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1159,1160,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- QB 89 VAL QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1159,1160,
 igr2=1361,1362,1363,
 &end
#
# 79 MET HA 79 MET HG2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 MET HA 79 MET HG3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 MET HA 79 MET QE 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HA 79 MET QG 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1174,1175,
 &end
#
# 79 MET HA 86  PRO HB2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1301, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 79 MET HA 86  PRO HB3 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1302, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 79 MET HA 87 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HA 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HA 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HB2 79 MET QE 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HB3 79 MET QE 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HG2 79 MET QE 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HG3 79 MET QE 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HN 79 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HN 79 MET QG 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1174,1175,
 &end
#
# 79 MET HN 80 ILE HB 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1188, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 79 MET HN 80 ILE HN 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1184, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 79 MET HN 88 ARG+ HA 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1329, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 79 MET HN 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HN 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HN 88 ARG+ QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1331,1332,
 &end
#
# 79 MET HN 89 VAL HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1351, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 79 MET HN 89 VAL QG2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1361,1362,1363,
 &end
#
# 79 MET QB 79 MET QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1171,1172,
 igr2=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ HD2 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ HD3 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1178,1179,1180,
 igr2=1337,1338,
 &end
#
# 79 MET QG 79 MET QE 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1174,1175,
 igr2=1178,1179,1180,
 &end
#
# 79 MET QG 88 ARG+ QD 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1174,1175,
 igr2=1337,1338,
 &end
#
# 80 ILE HA 80 ILE HG12 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1194, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 80 ILE HA 80 ILE HG13 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 80 ILE HA 80 ILE QD1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HA 80 ILE QG2 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1190,1191,1192,
 &end
#
# 80 ILE HA 81 LYS+ HB2 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1207, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 80 ILE HA 81 LYS+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 80 ILE HA 87 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1321,1322,1323,
 &end
#
# 80 ILE HB 80 ILE QD1 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HB 81 LYS+ HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 80 ILE HG12 81 LYS+ HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1203, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 80 ILE HG13 81 LYS+ HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 80 ILE HN 80 ILE HB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 80 ILE HN 80 ILE HG12 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 80 ILE HN 80 ILE HG13 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1195, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 80 ILE HN 80 ILE QD1 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HN 80 ILE QG2 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1190,1191,1192,
 &end
#
# 80 ILE HN 81 LYS+ HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1203, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 80 ILE HN 87 ILE HG12 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1318, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 80 ILE HN 87 ILE HG13 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1319, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 80 ILE HN 87 ILE HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 80 ILE HN 87 ILE QD1 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1321,1322,1323,
 &end
#
# 80 ILE HN 89 VAL QG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1361,1362,1363,
 &end
#
# 80 ILE QD1 81 LYS+ HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1197,1198,1199,
 &end
#
# 80 ILE QG2 80 ILE HG13 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 81 LYS+ HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 81 LYS+ HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 82 LEU HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 87 ILE HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1190,1191,1192,
 &end
#
# 81 LYS+ HA 81 LYS+ HE2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1216, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 81 LYS+ HA 81 LYS+ HG2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 81 LYS+ HA 81 LYS+ HG3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 81 LYS+ HA 82 LEU HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1225, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 81 LYS+ HA 85 LYS+ HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1272, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 81 LYS+ HA 86  PRO HB3 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1302, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 81 LYS+ HA 87 ILE HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1308, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 81 LYS+ HB2 81 LYS+ HD3 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 81 LYS+ HB2 81 LYS+ HE2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1216, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 81 LYS+ HB2 82 LEU HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 81 LYS+ HB2 84 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HB3 81 LYS+ HD3 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1214, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 81 LYS+ HB3 81 LYS+ HE2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 81 LYS+ HB3 82 LEU HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1225, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 81 LYS+ HB3 84 GLY HA2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1267, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 81 LYS+ HB3 84 GLY HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1265, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 81 LYS+ HB3 85 LYS+ HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 81 LYS+ HD3 84 GLY HA2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1267, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 81 LYS+ HD3 86  PRO HD3 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1296, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 81 LYS+ HE2 84 GLY HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1265, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 81 LYS+ HE2 86  PRO HB3 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1302, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 81 LYS+ HE2 86  PRO HD2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1295, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 81 LYS+ HE2 86  PRO HD3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 81 LYS+ HE3 86  PRO HB3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1302, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 81 LYS+ HE3 86  PRO HD2 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1295, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 81 LYS+ HE3 86  PRO HD3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1296, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 81 LYS+ HG2 81 LYS+ HE2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1216, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 81 LYS+ HG2 81 LYS+ HE3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 81 LYS+ HG2 85 LYS+ HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1272, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 81 LYS+ HG2 86  PRO HA 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1304, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 81 LYS+ HG2 86  PRO HB3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1302, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 81 LYS+ HG2 86  PRO HD2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1295, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 81 LYS+ HG2 86  PRO HD3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1296, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 81 LYS+ HG3 81 LYS+ HE2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 81 LYS+ HG3 86  PRO HA 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1304, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 81 LYS+ HG3 86  PRO HB3 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 81 LYS+ HN 81 LYS+ HB2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 81 LYS+ HN 81 LYS+ HB3 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 81 LYS+ HN 81 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HG3 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 81 LYS+ HN 82 LEU HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 81 LYS+ HN 82 LEU HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1225, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 82 LEU HA 82 LEU QD1 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HA 82 LEU QD2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB2 82 LEU QD1 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HB2 82 LEU QD2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB2 87 ILE QG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU HB3 82 LEU QD2 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB3 87 ILE QG2 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU HG 83 TYR QD 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1252,1261,
 &end
#
# 82 LEU HN 82 LEU HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 82 LEU HN 82 LEU HB3 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1230, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 82 LEU HN 82 LEU HG 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 82 LEU HN 82 LEU QD1 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HN 82 LEU QD2 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HN 85 LYS+ HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 82 LEU HN 86  PRO HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1304, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 82 LEU HN 87 ILE HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1308, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 82 LEU HN 87 ILE QG2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU QD1 83 TYR HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1234,1235,1236,
 &end
#
# 82 LEU QD1 83 TYR QD 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1234,1235,1236,
 igr2=1252,1261,
 &end
#
# 82 LEU QD1 83 TYR QE 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1234,1235,1236,
 igr2=1254,1259,
 &end
#
# 82 LEU QD2 83 TYR QD 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1238,1239,1240,
 igr2=1252,1261,
 &end
#
# 82 LEU QD2 83 TYR QE 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1238,1239,1240,
 igr2=1254,1259,
 &end
#
# 83 TYR HN 84 GLY HN 3.20 100.0
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1265, r1= 2.70, r2= 3.20, r3=100.00, r4=100.50,  &end
#
# 83 TYR HN 85 LYS HN 5.00 100.0
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1272, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50,  &end
#
# 83 TYR HA 83 TYR QD 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1252,1261,
 &end
#
# 84 GLY HN 85 LYS+ HN 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1272, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 85 LYS+ HA 85 LYS+ HG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 85 LYS+ HA 85 LYS+ HG3 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1280, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 85 LYS+ HA 85 LYS+ QG 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1279,1280,
 &end
#
# 85 LYS+ HA 86  PRO HD2 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1295, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 85 LYS+ HA 86  PRO HD3 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 85 LYS+ HA 86  PRO QG 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1298,1299,
 &end
#
# 85 LYS+ HB2 86  PRO HD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 85 LYS+ HB3 86  PRO HD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 85 LYS+ HG2 86  PRO HD2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 85 LYS+ HG3 86  PRO HD2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 85 LYS+ HN 85 LYS+ HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 85 LYS+ HN 85 LYS+ HB3 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 85 LYS+ HN 85 LYS+ HG2 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1279, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 85 LYS+ HN 85 LYS+ HG3 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 85 LYS+ HN 85 LYS+ QB 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1276,1277,
 &end
#
# 85 LYS+ HN 85 LYS+ QG 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1279,1280,
 &end
#
# 85 LYS+ HN 86  PRO HD2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1295, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 85 LYS+ HN 86  PRO HD3 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 85 LYS+ QB 85 LYS+ QE 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1276,1277,
 igr2=1285,1286,
 &end
#
# 85 LYS+ QB 86  PRO HD2 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1276,1277,
 &end
#
# 85 LYS+ QG 86  PRO HD2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1279,1280,
 &end
#
# 85 LYS+ QG 86  PRO HD3 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1279,1280,
 &end
#
# 86  PRO HA 87 ILE HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1308, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 86  PRO HA 87 ILE QG2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1314,1315,1316,
 &end
#
# 86  PRO HB2 87 ILE HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1308, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 86  PRO HB3 86  PRO QG 1.80 2.53
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
 igr2=1298,1299,
 &end
#
# 86  PRO HB3 87 ILE HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1308, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 86  PRO HD2 86  PRO HB2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1301, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 86  PRO HD2 86  PRO HB3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 86  PRO HD2 86  PRO HG2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1298, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 86  PRO HD2 86  PRO HG3 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 86  PRO HD2 86  PRO QG 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1298,1299,
 &end
#
# 86  PRO HD3 86  PRO HB3 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1302, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 86  PRO HD3 86  PRO QG 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1298,1299,
 &end
#
# 87 ILE HA 87 ILE QD1 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HA 87 ILE QG2 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1314,1315,1316,
 &end
#
# 87 ILE HA 88 ARG+ HN 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 87 ILE HB 87 ILE QD1 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HB 88 ARG+ HN 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1327, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 87 ILE HB 89 VAL QG2 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HG12 89 VAL QG2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HG13 89 VAL QG2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HN 87 ILE HB 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 87 ILE HN 87 ILE HG12 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 87 ILE HN 87 ILE HG13 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1319, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 87 ILE HN 87 ILE QD1 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HN 87 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1314,1315,1316,
 &end
#
# 87 ILE HN 88 ARG+ HN 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 87 ILE QD1 88 ARG+ HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1321,1322,1323,
 &end
#
# 87 ILE QD1 89 VAL HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1321,1322,1323,
 &end
#
# 87 ILE QD1 89 VAL QG2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1321,1322,1323,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE QG1 88 ARG+ HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1318,1319,
 &end
#
# 87 ILE QG1 89 VAL QG2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1318,1319,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE QG2 87 ILE QD1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1314,1315,1316,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE QG2 87 ILE QG1 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1314,1315,1316,
 igr2=1318,1319,
 &end
#
# 87 ILE QG2 88 ARG+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1314,1315,1316,
 &end
#
# 88 ARG+ HA 88 ARG+ HD2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 88 ARG+ HA 88 ARG+ HD3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1338, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 88 ARG+ HA 88 ARG+ QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1337,1338,
 &end
#
# 88 ARG+ HA 89 VAL HN 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1351, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 88 ARG+ HA 89 VAL QG2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1361,1362,1363,
 &end
#
# 88 ARG+ HB2 89 VAL HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 88 ARG+ HB3 89 VAL HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1332,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 88 ARG+ HD2 89 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HD3 89 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1338,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HG2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 ARG+ HN 88 ARG+ HG3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 ARG+ HN 88 ARG+ QB 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1331,1332,
 &end
#
# 88 ARG+ HN 88 ARG+ QG 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1334,1335,
 &end
#
# 88 ARG+ HN 89 VAL HN 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 88 ARG+ HN 89 VAL QG2 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1361,1362,1363,
 &end
#
# 88 ARG+ QB 89 VAL HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1331,1332,
 &end
#
# 88 ARG+ QG 89 VAL HN 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1334,1335,
 &end
#
# 89 VAL HA 89 VAL QG1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1357,1358,1359,
 &end
#
# 89 VAL HA 89 VAL QG2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1361,1362,1363,
 &end
#
# 89 VAL HA 90 ASN HN 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 89 VAL HB 90 ASN HA 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 89 VAL HB 90 ASN HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 89 VAL HN 89 VAL HB 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 89 VAL HN 89 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1357,1358,1359,
 &end
#
# 89 VAL HN 89 VAL QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
# 89 VAL HN 90 ASN HN 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 89 VAL QG1 90 ASN HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1357,1358,1359,
 &end
#
# 89 VAL QG1 91 LYS+ HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1357,1358,1359,
 &end
#
# 89 VAL QG2 90 ASN HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1361,1362,1363,
 &end
#
# 90 ASN HA 91 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ASN HA 91 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ASN HA 91 LYS+ HN 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1381, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 90 ASN HB2 91 LYS+ HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 90 ASN HB2 94 ALA QB 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1428,1429,1430,
 &end
#
# 90 ASN HB3 91 LYS+ HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 90 ASN HB3 94 ALA QB 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1428,1429,1430,
 &end
#
# 90 ASN QB 91 LYS+ HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1371,1372,
 &end
#
# 90 ASN QB 94 ALA QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1371,1372,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HA 91 LYS+ HD2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1391, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 91 LYS+ HA 91 LYS+ HD3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 91 LYS+ HA 91 LYS+ HG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 91 LYS+ HA 91 LYS+ QD 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1391,1392,
 &end
#
# 91 LYS+ HA 91 LYS+ QE 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1394,1395,
 &end
#
# 91 LYS+ HA 92 ALA HN 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1403, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 91 LYS+ HB2 92 ALA HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 91 LYS+ HB2 94 ALA QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HB3 92 ALA HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 91 LYS+ HB3 94 ALA QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HG2 92 ALA HN 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1403, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 91 LYS+ HG3 94 ALA QB 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HN 91 LYS+ HB2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 91 LYS+ HN 91 LYS+ HB3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 91 LYS+ HN 91 LYS+ HD2 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 91 LYS+ HN 91 LYS+ HD3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 91 LYS+ HN 91 LYS+ HG2 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 91 LYS+ HN 91 LYS+ HG3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1389, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 91 LYS+ HN 91 LYS+ QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1385,1386,
 &end
#
# 91 LYS+ HN 91 LYS+ QD 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1391,1392,
 &end
#
# 91 LYS+ HN 92 ALA HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1403, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 91 LYS+ HN 94 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ QB 91 LYS+ QE 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1385,1386,
 igr2=1394,1395,
 &end
#
# 91 LYS+ QB 92 ALA HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1385,1386,
 &end
#
# 91 LYS+ QB 94 ALA QB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1385,1386,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ QD 92 ALA HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1391,1392,
 &end
#
# 92 ALA HN 92 ALA QB 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1407,1408,1409,
 &end
#
# 92 ALA QB 93 SER HA 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1407,1408,1409,
 &end
#
# 92 ALA QB 93 SER HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1407,1408,1409,
 &end
#
# 93 SER HN 93 SER QB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1417,1418,
 &end
#
# 94 ALA HN 94 ALA QB 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1428,1429,1430,
 &end
#
# 94 ALA QB 95 HIS  HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1428,1429,1430,
 &end
#
# 94 ALA QB 95 HIS  HD2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1428,1429,1430,
 &end
#
# 95 HIS  HA 95 HIS  HD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1447, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 99 LEU HA 99 LEU HG 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1508, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 99 LEU HA 99 LEU QQD 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
# 1580 atoms read from pdb file leap.pdb.
# 17 THR PHI:  (16 ALA C)-(17 THR N)-(17 THR CA)-(17 THR C) -144.0 -84.0
 &rst     iat =   202,   204,   206,   216,
	  r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
	  rk2 = 60.0, rk3 = 60.0,				&end
# 17 THR PSI:  (17 THR N)-(17 THR CA)-(17 THR C)-(18 VAL N) 104.0 164.0
 &rst     iat =   204,   206,   216,   218,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end
# 18 VAL CHI1:  (18 VAL N)-(18 VAL CA)-(18 VAL CB)-(18 VAL CG1) -80.0 -40.0
 &rst     iat =   218,   220,   222,   224,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 18 VAL PHI:  (17 THR C)-(18 VAL N)-(18 VAL CA)-(18 VAL C) -149.0 -89.0
 &rst     iat =   216,   218,   220,   232,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end
# 18 VAL PSI:  (18 VAL N)-(18 VAL CA)-(18 VAL C)-(19 TYR N) 112.0 172.0
 &rst     iat =   218,   220,   232,   234,
	  r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
	&end
# 19 TYR PHI:  (18 VAL C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -156.0 -96.0
 &rst     iat =   232,   234,   236,   253,
	  r1 = -157.0, r2 = -156.0, r3 = -96.0, r4 = -95.0,
	&end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 VAL N) 103.0 163.0
 &rst     iat =   234,   236,   253,   255,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end
# 20 VAL CHI1:  (20 VAL N)-(20 VAL CA)-(20 VAL CB)-(20 VAL CG1) -200.0 -160.0
 &rst     iat =   255,   257,   259,   261,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 20 VAL PHI:  (19 TYR C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -147.0 -87.0
 &rst     iat =   253,   255,   257,   269,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end
# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 GLY N) 104.0 164.0
 &rst     iat =   255,   257,   269,   271,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end
# 23 LEU CHI1:  (23 LEU N)-(23 LEU CA)-(23 LEU CB)-(23 LEU CG) -80.0 -40.0
 &rst     iat =   285,   287,   289,   292,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 23 LEU CHI2:  (23 LEU CA)-(23 LEU CB)-(23 LEU CG)-(23 LEU CD1) -200.0 -160.0
 &rst     iat =   287,   289,   292,   294,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 27 VAL CHI1:  (27 VAL N)-(27 VAL CA)-(27 VAL CB)-(27 VAL CG1) -200.0 -160.0
 &rst     iat =   353,   355,   357,   359,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 29 GLU PHI:  (28 SER C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -91.0 -31.0
 &rst     iat =   378,   380,   382,   393,
	  r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
	&end
# 29 GLU PSI:  (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 PRO N) -68.0  -8.0
 &rst     iat =   380,   382,   393,   395,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) -200.0 -160.0
 &rst     iat =   409,   411,   413,   416,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 31 LEU CHI2:  (31 LEU CA)-(31 LEU CB)-(31 LEU CG)-(31 LEU CD1)  40.0  80.0
 &rst     iat =   411,   413,   416,   418,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 31 LEU PHI:  (30 PRO C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -93.0 -33.0
 &rst     iat =   407,   409,   411,   426,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end
# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 LEU N) -73.0 -13.0
 &rst     iat =   409,   411,   426,   428,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 32 LEU CHI1:  (32 LEU N)-(32 LEU CA)-(32 LEU CB)-(32 LEU CG) -80.0 -40.0
 &rst     iat =   428,   430,   432,   435,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 32 LEU CHI2:  (32 LEU CA)-(32 LEU CB)-(32 LEU CG)-(32 LEU CD1) -200.0 -160.0
 &rst     iat =   430,   432,   435,   437,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 32 LEU PHI:  (31 LEU C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -96.0 -36.0
 &rst     iat =   426,   428,   430,   445,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 TRP N) -68.0  -8.0
 &rst     iat =   428,   430,   445,   447,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 33 TRP PHI:  (32 LEU C)-(33 TRP N)-(33 TRP CA)-(33 TRP C) -92.0 -32.0
 &rst     iat =   445,   447,   449,   469,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 33 TRP PSI:  (33 TRP N)-(33 TRP CA)-(33 TRP C)-(34 GLU N) -73.0 -13.0
 &rst     iat =   447,   449,   469,   471,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 34 GLU PHI:  (33 TRP C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -92.0 -32.0
 &rst     iat =   469,   471,   473,   484,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 34 GLU PSI:  (34 GLU N)-(34 GLU CA)-(34 GLU C)-(35 LEU N) -70.0 -10.0
 &rst     iat =   471,   473,   484,   486,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 35 LEU CHI1:  (35 LEU N)-(35 LEU CA)-(35 LEU CB)-(35 LEU CG) -200.0 -160.0
 &rst     iat =   486,   488,   490,   493,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 35 LEU CHI2:  (35 LEU CA)-(35 LEU CB)-(35 LEU CG)-(35 LEU CD1)  40.0  80.0
 &rst     iat =   488,   490,   493,   495,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 35 LEU PHI:  (34 GLU C)-(35 LEU N)-(35 LEU CA)-(35 LEU C) -94.0 -34.0
 &rst     iat =   484,   486,   488,   503,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 35 LEU PSI:  (35 LEU N)-(35 LEU CA)-(35 LEU C)-(36 PHE N) -76.0 -16.0
 &rst     iat =   486,   488,   503,   505,
	  r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
	&end
# 36 PHE PHI:  (35 LEU C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -94.0 -34.0
 &rst     iat =   503,   505,   507,   523,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 LEU N) -71.0 -11.0
 &rst     iat =   505,   507,   523,   525,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end
# 37 LEU CHI1:  (37 LEU N)-(37 LEU CA)-(37 LEU CB)-(37 LEU CG) -80.0 -40.0
 &rst     iat =   525,   527,   529,   532,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 37 LEU CHI2:  (37 LEU CA)-(37 LEU CB)-(37 LEU CG)-(37 LEU CD1) -200.0 -160.0
 &rst     iat =   527,   529,   532,   534,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 37 LEU PHI:  (36 PHE C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -98.0 -38.0
 &rst     iat =   523,   525,   527,   542,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end
# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 GLN N) -68.0  -8.0
 &rst     iat =   525,   527,   542,   544,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 42 VAL CHI1:  (42 VAL N)-(42 VAL CA)-(42 VAL CB)-(42 VAL CG1) -200.0 -160.0
 &rst     iat =   592,   594,   596,   598,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 43 VAL CHI1:  (43 VAL N)-(43 VAL CA)-(43 VAL CB)-(43 VAL CG1) -200.0 -160.0
 &rst     iat =   608,   610,   612,   614,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 44 ASN CHI1:  (44 ASN N)-(44 ASN CA)-(44 ASN CB)-(44 ASN CG) -200.0 -160.0
 &rst     iat =   624,   626,   628,   631,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 44 ASN PHI:  (43 VAL C)-(44 ASN N)-(44 ASN CA)-(44 ASN C) -160.0 -100.0
 &rst     iat =   622,   624,   626,   636,
	  r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
	&end
# 44 ASN PSI:  (44 ASN N)-(44 ASN CA)-(44 ASN C)-(45 THR N) 110.0 170.0
 &rst     iat =   624,   626,   636,   638,
	  r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
	&end
# 45 THR PHI:  (44 ASN C)-(45 THR N)-(45 THR CA)-(45 THR C) -148.0 -88.0
 &rst     iat =   636,   638,   640,   650,
	  r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
	&end
# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 HIE N) 115.0 175.0
 &rst     iat =   638,   640,   650,   652,
	  r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
	&end
# 46 HIS PHI:  (45 THR C)-(46 HIE N)-(46 HIE CA)-(46 HIE C) -142.0 -82.0
 &rst     iat =   650,   652,   654,   667,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end
# 46 HIS PSI:  (46 HIE N)-(46 HIE CA)-(46 HIE C)-(47 MET N)  96.0 156.0
 &rst     iat =   652,   654,   667,   669,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&end
# 47 MET PHI:  (46 HIE C)-(47 MET N)-(47 MET CA)-(47 MET C) -142.0 -82.0
 &rst     iat =   667,   669,   671,   684,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end
# 47 MET PSI:  (47 MET N)-(47 MET CA)-(47 MET C)-(48 PRO N) 103.0 163.0
 &rst     iat =   669,   671,   684,   686,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end
# 61 PHE PHI:  (60 GLY C)-(61 PHE N)-(61 PHE CA)-(61 PHE C) -160.0 -100.0
 &rst     iat =   879,   881,   883,   899,
	  r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
	&end
# 61 PHE PSI:  (61 PHE N)-(61 PHE CA)-(61 PHE C)-(62 VAL N) 119.0 179.0
 &rst     iat =   881,   883,   899,   901,
	  r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
	&end
# 62 VAL CHI1:  (62 VAL N)-(62 VAL CA)-(62 VAL CB)-(62 VAL CG1) -200.0 -160.0
 &rst     iat =   901,   903,   905,   907,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 62 VAL PHI:  (61 PHE C)-(62 VAL N)-(62 VAL CA)-(62 VAL C) -147.0 -87.0
 &rst     iat =   899,   901,   903,   915,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end
# 62 VAL PSI:  (62 VAL N)-(62 VAL CA)-(62 VAL C)-(63 GLU N)  96.0 156.0
 &rst     iat =   901,   903,   915,   917,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&end
# 63 GLU PHI:  (62 VAL C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -141.0 -81.0
 &rst     iat =   915,   917,   919,   930,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end
# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 PHE N) 100.0 160.0
 &rst     iat =   917,   919,   930,   932,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end
# 64 PHE PHI:  (63 GLU C)-(64 PHE N)-(64 PHE CA)-(64 PHE C) -135.0 -75.0
 &rst     iat =   930,   932,   934,   950,
	  r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
	&end
# 64 PHE PSI:  (64 PHE N)-(64 PHE CA)-(64 PHE C)-(65 LEU N) 125.0 185.0
 &rst     iat =   932,   934,   950,   952,
	  r1 = 124.0, r2 = 125.0, r3 = 185.0, r4 = 186.0,
	&end
# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) -200.0 -160.0
 &rst     iat =   952,   954,   956,   959,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 65 LEU CHI2:  (65 LEU CA)-(65 LEU CB)-(65 LEU CG)-(65 LEU CD1)  40.0  80.0
 &rst     iat =   954,   956,   959,   961,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 67 GLU PHI:  (66 SER C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -95.0 -35.0
 &rst     iat =   980,   982,   984,   995,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end
# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 GLU N) -66.0  -6.0
 &rst     iat =   982,   984,   995,   997,
	  r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
	&end
# 68 GLU PHI:  (67 GLU C)-(68 GLU N)-(68 GLU CA)-(68 GLU C) -92.0 -32.0
 &rst     iat =   995,   997,   999,  1010,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 68 GLU PSI:  (68 GLU N)-(68 GLU CA)-(68 GLU C)-(69 ASP N) -70.0 -10.0
 &rst     iat =   997,   999,  1010,  1012,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 69 ASP PHI:  (68 GLU C)-(69 ASP N)-(69 ASP CA)-(69 ASP C) -96.0 -36.0
 &rst     iat =  1010,  1012,  1014,  1022,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 69 ASP PSI:  (69 ASP N)-(69 ASP CA)-(69 ASP C)-(70 ALA N) -73.0 -13.0
 &rst     iat =  1012,  1014,  1022,  1024,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 70 ALA PHI:  (69 ASP C)-(70 ALA N)-(70 ALA CA)-(70 ALA C) -94.0 -34.0
 &rst     iat =  1022,  1024,  1026,  1032,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 70 ALA PSI:  (70 ALA N)-(70 ALA CA)-(70 ALA C)-(71 ASP N) -72.0 -12.0
 &rst     iat =  1024,  1026,  1032,  1034,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end
# 71 ASP PHI:  (70 ALA C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -96.0 -36.0
 &rst     iat =  1032,  1034,  1036,  1044,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 TYR N) -63.0  -3.0
 &rst     iat =  1034,  1036,  1044,  1046,
	  r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
	&end
# 72 TYR PHI:  (71 ASP C)-(72 TYR N)-(72 TYR CA)-(72 TYR C) -93.0 -33.0
 &rst     iat =  1044,  1046,  1048,  1065,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end
# 72 TYR PSI:  (72 TYR N)-(72 TYR CA)-(72 TYR C)-(73 ALA N) -76.0 -16.0
 &rst     iat =  1046,  1048,  1065,  1067,
	  r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
	&end
# 73 ALA PHI:  (72 TYR C)-(73 ALA N)-(73 ALA CA)-(73 ALA C) -92.0 -32.0
 &rst     iat =  1065,  1067,  1069,  1075,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 73 ALA PSI:  (73 ALA N)-(73 ALA CA)-(73 ALA C)-(74 ILE N) -72.0 -12.0
 &rst     iat =  1067,  1069,  1075,  1077,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end
# 74 ILE CHI1:  (74 ILE N)-(74 ILE CA)-(74 ILE CB)-(74 ILE CG1) -80.0 -40.0
 &rst     iat =  1077,  1079,  1081,  1087,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 74 ILE CHI21:  (74 ILE CA)-(74 ILE CB)-(74 ILE CG1)-(74 ILE CD1) -200.0 -160.0
 &rst     iat =  1079,  1081,  1087,  1090,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 74 ILE PHI:  (73 ALA C)-(74 ILE N)-(74 ILE CA)-(74 ILE C) -94.0 -34.0
 &rst     iat =  1075,  1077,  1079,  1094,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 74 ILE PSI:  (74 ILE N)-(74 ILE CA)-(74 ILE C)-(75 LYS N) -73.0 -13.0
 &rst     iat =  1077,  1079,  1094,  1096,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 75 LYS PHI:  (74 ILE C)-(75 LYS N)-(75 LYS CA)-(75 LYS C) -92.0 -32.0
 &rst     iat =  1094,  1096,  1098,  1116,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 75 LYS PSI:  (75 LYS N)-(75 LYS CA)-(75 LYS C)-(76 ILE N) -70.0 -10.0
 &rst     iat =  1096,  1098,  1116,  1118,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 76 ILE CHI1:  (76 ILE N)-(76 ILE CA)-(76 ILE CB)-(76 ILE CG1)  40.0  80.0
 &rst     iat =  1118,  1120,  1122,  1128,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 76 ILE CHI21:  (76 ILE CA)-(76 ILE CB)-(76 ILE CG1)-(76 ILE CD1) -200.0 -160.0
 &rst     iat =  1120,  1122,  1128,  1131,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 80 ILE CHI1:  (80 ILE N)-(80 ILE CA)-(80 ILE CB)-(80 ILE CG1) -80.0 -40.0
 &rst     iat =  1183,  1185,  1187,  1193,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 80 ILE CHI21:  (80 ILE CA)-(80 ILE CB)-(80 ILE CG1)-(80 ILE CD1) -200.0 -160.0
 &rst     iat =  1185,  1187,  1193,  1196,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 82 LEU CHI1:  (82 LEU N)-(82 LEU CA)-(82 LEU CB)-(82 LEU CG) -200.0 -160.0
 &rst     iat =  1224,  1226,  1228,  1231,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 82 LEU CHI2:  (82 LEU CA)-(82 LEU CB)-(82 LEU CG)-(82 LEU CD1)  40.0  80.0
 &rst     iat =  1226,  1228,  1231,  1233,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 87 ILE CHI1:  (87 ILE N)-(87 ILE CA)-(87 ILE CB)-(87 ILE CG1)  40.0  80.0
 &rst     iat =  1307,  1309,  1311,  1317,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 87 ILE CHI21:  (87 ILE CA)-(87 ILE CB)-(87 ILE CG1)-(87 ILE CD1) -200.0 -160.0
 &rst     iat =  1309,  1311,  1317,  1320,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 89 VAL CHI1:  (89 VAL N)-(89 VAL CA)-(89 VAL CB)-(89 VAL CG1) -200.0 -160.0
 &rst     iat =  1350,  1352,  1354,  1356,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 89 VAL PHI:  (88 ARG C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -148.0 -88.0
 &rst     iat =  1348,  1350,  1352,  1364,
	  r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
	&end
# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 ASN N) 111.0 171.0
 &rst     iat =  1350,  1352,  1364,  1366,
	  r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
	&end
# 90 ASN PHI:  (89 VAL C)-(90 ASN N)-(90 ASN CA)-(90 ASN C) -175.0 -115.0
 &rst     iat =  1364,  1366,  1368,  1378,
	  r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
	&end
# 90 ASN PSI:  (90 ASN N)-(90 ASN CA)-(90 ASN C)-(91 LYS N) 121.0 181.0
 &rst     iat =  1366,  1368,  1378,  1380,
	  r1 = 120.0, r2 = 121.0, r3 = 181.0, r4 = 182.0,
	&end
# 91 LYS PHI:  (90 ASN C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -101.0 -41.0
 &rst     iat =  1378,  1380,  1382,  1400,
	  r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
	&end
# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 ALA N) 112.0 172.0
 &rst     iat =  1380,  1382,  1400,  1402,
	  r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
	&end
# Restraints file 2: RST_E7lM1tu.disang
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=78,72,76,77, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=75,69,73,74, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=72,68,70,71, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,80,79,75, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=84,88,92,87, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=86,95,93,94, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=82,99,85,86, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=103,108,106,107, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=101,110,104,105, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=116,122,120,121, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=112,125,115,116, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=129,134,132,133, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=131,137,135,136, &end
#
#  chirality for residue 12 atoms:  CG NE HD2 HD3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=127,149,130,131, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=151,163,154,155, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=169,175,173,174, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=165,180,168,169, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=184,189,187,188, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=182,192,185,186, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=194,202,197,198, &end
#
#  chirality for residue 17 atoms:  CA CG2 OG1 HB
 &rst iat=206,210,214,209, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=204,216,207,208, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=220,224,228,223, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=218,232,221,222, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=234,253,237,238, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=257,261,265,260, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=255,269,258,259, &end
#
#  chirality for residue 21 atoms:  N C HA2 HA3
 &rst iat=271,276,274,275, &end
#
#  chirality for residue 22 atoms:  N C HA2 HA3
 &rst iat=278,283,281,282, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=289,294,298,293, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=285,302,288,289, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=304,314,307,308, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=318,323,321,322, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=316,329,319,320, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=333,338,336,337, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=335,341,339,340, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=341,347,345,346, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=338,344,342,343, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=331,351,334,335, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=355,359,363,358, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=353,367,356,357, &end
#
#  chirality for residue 28 atoms:  CA OG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=369,378,372,373, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=380,393,383,384, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=405,399,403,404, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=402,396,400,401, &end
#
#  chirality for residue 30 atoms:  CG N HD2 HD3
 &rst iat=399,395,397,398, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=395,407,406,402, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=413,418,422,417, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=409,426,412,413, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=432,437,441,436, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=428,445,431,432, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=449,454,452,453, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=447,469,450,451, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=473,478,476,477, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=475,481,479,480, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=471,484,474,475, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 35 atoms:  CB CD1 CD2 HG
 &rst iat=490,495,499,494, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=486,503,489,490, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=505,523,508,509, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=527,532,530,531, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=529,534,538,533, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=525,542,528,529, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=546,551,549,550, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=548,554,552,553, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=544,559,547,548, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=561,569,564,565, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=571,576,574,575, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=588,582,586,587, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=585,579,583,584, &end
#
#  chirality for residue 41 atoms:  CG N HD2 HD3
 &rst iat=582,578,580,581, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=578,590,589,585, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=594,598,602,597, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=592,606,595,596, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=610,614,618,613, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=608,622,611,612, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=626,631,629,630, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=624,636,627,628, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=640,644,648,643, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=638,650,641,642, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=654,659,657,658, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=652,667,655,656, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 47 atoms:  CB SD HG2 HG3
 &rst iat=673,679,677,678, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=669,684,672,673, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=696,690,694,695, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=693,687,691,692, &end
#
#  chirality for residue 48 atoms:  CG N HD2 HD3
 &rst iat=690,686,688,689, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=686,698,697,693, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=702,707,705,706, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=704,710,708,709, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=710,716,714,715, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=707,713,711,712, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=700,720,703,704, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=722,732,725,726, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=736,741,739,740, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=738,744,742,743, &end
#
#  chirality for residue 51 atoms:  CG NE HD2 HD3
 &rst iat=741,747,745,746, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=734,756,737,738, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=760,764,768,763, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=758,772,761,762, &end
#
#  chirality for residue 53 atoms:  CA CG2 OG1 HB
 &rst iat=776,780,784,779, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=774,786,777,778, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=799,805,803,804, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=795,810,798,799, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=812,827,815,816, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=831,836,834,835, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=833,839,837,838, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=829,844,832,833, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=846,851,849,850, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=855,860,858,859, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=853,872,856,857, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=881,899,884,885, &end
#
#  chirality for residue 62 atoms:  CA CG1 CG2 HB
 &rst iat=903,907,911,906, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=901,915,904,905, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=919,924,922,923, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=921,927,925,926, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=917,930,920,921, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=932,950,935,936, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=954,959,957,958, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=956,961,965,960, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=952,969,955,956, &end
#
#  chirality for residue 66 atoms:  CA OG HB2 HB3
 &rst iat=973,978,976,977, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=971,980,974,975, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=984,989,987,988, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=986,992,990,991, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=982,995,985,986, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1001,1007,1005,1006, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=997,1010,1000,1001, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1014,1019,1017,1018, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1012,1022,1015,1016, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1024,1032,1027,1028, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1034,1044,1037,1038, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1048,1053,1051,1052, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1046,1065,1049,1050, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1067,1075,1070,1071, &end
#
#  chirality for residue 74 atoms:  CA CG2 CG1 HB
 &rst iat=1079,1083,1087,1082, &end
#
#  chirality for residue 74 atoms:  CB CD1 HG12 HG13
 &rst iat=1081,1090,1088,1089, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1077,1094,1080,1081, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1098,1103,1101,1102, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1100,1106,1104,1105, &end
#
#  chirality for residue 75 atoms:  CD NZ HE2 HE3
 &rst iat=1106,1112,1110,1111, &end
#
#  chirality for residue 75 atoms:  CG CE HD2 HD3
 &rst iat=1103,1109,1107,1108, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1096,1116,1099,1100, &end
#
#  chirality for residue 76 atoms:  CA CG2 CG1 HB
 &rst iat=1120,1124,1128,1123, &end
#
#  chirality for residue 76 atoms:  CB CD1 HG12 HG13
 &rst iat=1122,1131,1129,1130, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1118,1135,1121,1122, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1139,1144,1142,1143, &end
#
#  chirality for residue 77 atoms:  CB SD HG2 HG3
 &rst iat=1141,1147,1145,1146, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1137,1152,1140,1141, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1156,1161,1159,1160, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1154,1164,1157,1158, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1168,1173,1171,1172, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1170,1176,1174,1175, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1166,1181,1169,1170, &end
#
#  chirality for residue 80 atoms:  CA CG2 CG1 HB
 &rst iat=1185,1189,1193,1188, &end
#
#  chirality for residue 80 atoms:  CB CD1 HG12 HG13
 &rst iat=1187,1196,1194,1195, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1183,1200,1186,1187, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1204,1209,1207,1208, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1206,1212,1210,1211, &end
#
#  chirality for residue 81 atoms:  CD NZ HE2 HE3
 &rst iat=1212,1218,1216,1217, &end
#
#  chirality for residue 81 atoms:  CG CE HD2 HD3
 &rst iat=1209,1215,1213,1214, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1202,1222,1205,1206, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 82 atoms:  CB CD1 CD2 HG
 &rst iat=1228,1233,1237,1232, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1224,1241,1227,1228, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1243,1262,1246,1247, &end
#
#  chirality for residue 84 atoms:  N C HA2 HA3
 &rst iat=1264,1269,1267,1268, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1273,1278,1276,1277, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1275,1281,1279,1280, &end
#
#  chirality for residue 85 atoms:  CD NZ HE2 HE3
 &rst iat=1281,1287,1285,1286, &end
#
#  chirality for residue 85 atoms:  CG CE HD2 HD3
 &rst iat=1278,1284,1282,1283, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1271,1291,1274,1275, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1303,1297,1301,1302, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1300,1294,1298,1299, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1297,1293,1295,1296, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1293,1305,1304,1300, &end
#
#  chirality for residue 87 atoms:  CA CG2 CG1 HB
 &rst iat=1309,1313,1317,1312, &end
#
#  chirality for residue 87 atoms:  CB CD1 HG12 HG13
 &rst iat=1311,1320,1318,1319, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1307,1324,1310,1311, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1328,1333,1331,1332, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1330,1336,1334,1335, &end
#
#  chirality for residue 88 atoms:  CG NE HD2 HD3
 &rst iat=1333,1339,1337,1338, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1326,1348,1329,1330, &end
#
#  chirality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1366,1378,1369,1370, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1382,1387,1385,1386, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1384,1390,1388,1389, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1390,1396,1394,1395, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1387,1393,1391,1392, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1380,1400,1383,1384, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1402,1410,1405,1406, &end
#
#  chirality for residue 93 atoms:  CA OG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1412,1421,1415,1416, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1423,1431,1426,1427, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1435,1440,1438,1439, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1433,1448,1436,1437, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1452,1457,1455,1456, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1450,1462,1453,1454, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1466,1471,1469,1470, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1468,1474,1472,1473, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1474,1480,1478,1479, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1471,1477,1475,1476, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1464,1484,1467,1468, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1488,1493,1491,1492, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1486,1498,1489,1490, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1504,1509,1513,1508, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1500,1517,1503,1504, &end
#
#  chirality for residue 100 atoms:  CA OG HB2 HB3
 &rst iat=1521,1526,1524,1525, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1519,1528,1522,1523, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1530,1535,1533,1534, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1547,1541,1545,1546, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1544,1538,1542,1543, &end
#
#  chirality for residue 102 atoms:  CG N HD2 HD3
 &rst iat=1541,1537,1539,1540, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1537,1549,1548,1544, &end
#
#  chirality for residue 103 atoms:  CA OG HB2 HB3
 &rst iat=1553,1558,1556,1557, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1551,1560,1554,1555, &end
#
#  chirality for residue 104 atoms:  CA OG HB2 HB3
 &rst iat=1564,1569,1567,1568, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1562,1571,1565,1566, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1573,1578,1576,1577, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=78,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=84,82,80,78, &end
#
#  trans-omega constraint for residue 10
 &rst iat=103,101,99,84, &end
#
#  trans-omega constraint for residue 11
 &rst iat=114,112,110,103, &end
#
#  trans-omega constraint for residue 12
 &rst iat=129,127,125,114, &end
#
#  trans-omega constraint for residue 13
 &rst iat=153,151,149,129, &end
#
#  trans-omega constraint for residue 14
 &rst iat=167,165,163,153, &end
#
#  trans-omega constraint for residue 15
 &rst iat=184,182,180,167, &end
#
#  trans-omega constraint for residue 16
 &rst iat=196,194,192,184, &end
#
#  trans-omega constraint for residue 17
 &rst iat=206,204,202,196, &end
#
#  trans-omega constraint for residue 18
 &rst iat=220,218,216,206, &end
#
#  trans-omega constraint for residue 19
 &rst iat=236,234,232,220, &end
#
#  trans-omega constraint for residue 20
 &rst iat=257,255,253,236, &end
#
#  trans-omega constraint for residue 21
 &rst iat=273,271,269,257, &end
#
#  trans-omega constraint for residue 22
 &rst iat=280,278,276,273, &end
#
#  trans-omega constraint for residue 23
 &rst iat=287,285,283,280, &end
#
#  trans-omega constraint for residue 24
 &rst iat=306,304,302,287, &end
#
#  trans-omega constraint for residue 25
 &rst iat=318,316,314,306, &end
#
#  trans-omega constraint for residue 26
 &rst iat=333,331,329,318, &end
#
#  trans-omega constraint for residue 27
 &rst iat=355,353,351,333, &end
#
#  trans-omega constraint for residue 28
 &rst iat=371,369,367,355, &end
#
#  trans-omega constraint for residue 29
 &rst iat=382,380,378,371, &end
#
#  trans-omega constraint for residue 30
 &rst iat=405,395,393,382, &end
#
#  trans-omega constraint for residue 31
 &rst iat=411,409,407,405, &end
#
#  trans-omega constraint for residue 32
 &rst iat=430,428,426,411, &end
#
#  trans-omega constraint for residue 33
 &rst iat=449,447,445,430, &end
#
#  trans-omega constraint for residue 34
 &rst iat=473,471,469,449, &end
#
#  trans-omega constraint for residue 35
 &rst iat=488,486,484,473, &end
#
#  trans-omega constraint for residue 36
 &rst iat=507,505,503,488, &end
#
#  trans-omega constraint for residue 37
 &rst iat=527,525,523,507, &end
#
#  trans-omega constraint for residue 38
 &rst iat=546,544,542,527, &end
#
#  trans-omega constraint for residue 39
 &rst iat=563,561,559,546, &end
#
#  trans-omega constraint for residue 40
 &rst iat=573,571,569,563, &end
#
#  trans-omega constraint for residue 41
 &rst iat=588,578,576,573, &end
#
#  trans-omega constraint for residue 42
 &rst iat=594,592,590,588, &end
#
#  trans-omega constraint for residue 43
 &rst iat=610,608,606,594, &end
#
#  trans-omega constraint for residue 44
 &rst iat=626,624,622,610, &end
#
#  trans-omega constraint for residue 45
 &rst iat=640,638,636,626, &end
#
#  trans-omega constraint for residue 46
 &rst iat=654,652,650,640, &end
#
#  trans-omega constraint for residue 47
 &rst iat=671,669,667,654, &end
#
#  trans-omega constraint for residue 48
 &rst iat=696,686,684,671, &end
#
#  trans-omega constraint for residue 49
 &rst iat=702,700,698,696, &end
#
#  trans-omega constraint for residue 50
 &rst iat=724,722,720,702, &end
#
#  trans-omega constraint for residue 51
 &rst iat=736,734,732,724, &end
#
#  trans-omega constraint for residue 52
 &rst iat=760,758,756,736, &end
#
#  trans-omega constraint for residue 53
 &rst iat=776,774,772,760, &end
#
#  trans-omega constraint for residue 54
 &rst iat=790,788,786,776, &end
#
#  trans-omega constraint for residue 55
 &rst iat=797,795,793,790, &end
#
#  trans-omega constraint for residue 56
 &rst iat=814,812,810,797, &end
#
#  trans-omega constraint for residue 57
 &rst iat=831,829,827,814, &end
#
#  trans-omega constraint for residue 58
 &rst iat=848,846,844,831, &end
#
#  trans-omega constraint for residue 59
 &rst iat=855,853,851,848, &end
#
#  trans-omega constraint for residue 60
 &rst iat=876,874,872,855, &end
#
#  trans-omega constraint for residue 61
 &rst iat=883,881,879,876, &end
#
#  trans-omega constraint for residue 62
 &rst iat=903,901,899,883, &end
#
#  trans-omega constraint for residue 63
 &rst iat=919,917,915,903, &end
#
#  trans-omega constraint for residue 64
 &rst iat=934,932,930,919, &end
#
#  trans-omega constraint for residue 65
 &rst iat=954,952,950,934, &end
#
#  trans-omega constraint for residue 66
 &rst iat=973,971,969,954, &end
#
#  trans-omega constraint for residue 67
 &rst iat=984,982,980,973, &end
#
#  trans-omega constraint for residue 68
 &rst iat=999,997,995,984, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1014,1012,1010,999, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1026,1024,1022,1014, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1036,1034,1032,1026, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1048,1046,1044,1036, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1069,1067,1065,1048, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1079,1077,1075,1069, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1098,1096,1094,1079, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1120,1118,1116,1098, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1139,1137,1135,1120, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1156,1154,1152,1139, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1168,1166,1164,1156, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1185,1183,1181,1168, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1204,1202,1200,1185, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1226,1224,1222,1204, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1245,1243,1241,1226, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1266,1264,1262,1245, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1273,1271,1269,1266, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1303,1293,1291,1273, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1309,1307,1305,1303, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1328,1326,1324,1309, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1352,1350,1348,1328, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1382,1380,1378,1368, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1404,1402,1400,1382, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1414,1412,1410,1404, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1425,1423,1421,1414, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1435,1433,1431,1425, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1452,1450,1448,1435, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1466,1464,1462,1452, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1488,1486,1484,1466, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1502,1500,1498,1488, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1521,1519,1517,1502, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1532,1530,1528,1521, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1547,1537,1535,1532, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1553,1551,1549,1547, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1564,1562,1560,1553, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1575,1573,1571,1564, &end
#
# 9 ILE HA 11 GLU- HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 113, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 9 ILE HA 9 ILE HG12 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  93, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 ILE HA 9 ILE HG13 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  94, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 9 ILE HA 9 ILE QD1 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  96,  97,  98,
 &end
#
# 9 ILE HA 9 ILE QG1 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=  93,  94,
 &end
#
# 9 ILE HA 9 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  89,  90,  91,
 &end
#
# 9 ILE HB 11 GLU- HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 9 ILE HB 9 ILE QD1 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  96,  97,  98,
 &end
#
# 9 ILE HN 9 ILE QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=  89,  90,  91,
 &end
#
# 9 ILE QG1 11 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=  93,  94,
 &end
#
# 9 ILE QG2 9 ILE HG12 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  89,  90,  91,
 &end
#
# 9 ILE QG2 9 ILE HG13 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  89,  90,  91,
 &end
#
# 9 ILE QG2 9 ILE QG1 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=  89,  90,  91,
 igr2=  93,  94,
 &end
#
# 11 GLU- HA 11 GLU- HG2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 11 GLU- HA 11 GLU- HG3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 121, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 11 GLU- QG 12 ARG+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 120, 121,
 &end
#
# 12 ARG+ HA 12 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ARG+ HA 12 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ARG+ HA 12 ARG+ QD 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 138, 139,
 &end
#
# 12 ARG+ HA 12 ARG+ QG 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 135, 136,
 &end
#
# 12 ARG+ HN 12 ARG+ HG2 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 12 ARG+ HN 12 ARG+ HG3 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 12 ARG+ HN 12 ARG+ QB 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 132, 133,
 &end
#
# 12 ARG+ HN 12 ARG+ QG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 135, 136,
 &end
#
# 13 ASN HB2 16 ALA QB 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN HB3 16 ALA QB 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN QB 13 ASN QD2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 156, 157,
 igr2= 161, 162,
 &end
#
# 13 ASN QB 16 ALA QB 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 156, 157,
 igr2= 199, 200, 201,
 &end
#
# 13 ASN QD2 16 ALA QB 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 161, 162,
 igr2= 199, 200, 201,
 &end
#
# 14 GLN HA 16 ALA HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 195, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 14 GLN HA 17 THR HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 205, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 14 GLN HA 17 THR QG2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 211, 212, 213,
 &end
#
# 14 GLN HB2 15 ASP- HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HB3 15 ASP- HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 14 GLN HN 14 GLN QB 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 170, 171,
 &end
#
# 14 GLN HN 14 GLN QG 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 173, 174,
 &end
#
# 14 GLN QB 92 ALA QB 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 170, 171,
 igr2=1407,1408,1409,
 &end
#
# 14 GLN QB 93 SER HA 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 170, 171,
 &end
#
# 14 GLN QG 17 THR QG2 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 173, 174,
 igr2= 211, 212, 213,
 &end
#
# 14 GLN QG 92 ALA QB 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 173, 174,
 igr2=1407,1408,1409,
 &end
#
# 14 GLN QG 93 SER HA 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 173, 174,
 &end
#
# 15 ASP- HN 15 ASP- HB2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 ASP- HN 15 ASP- HB3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 ASP- HN 15 ASP- QB 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 187, 188,
 &end
#
# 15 ASP- HN 16 ALA HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 15 ASP- HN 17 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 205, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 ASP- QB 16 ALA HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 187, 188,
 &end
#
# 15 ASP- QB 67 GLU- QB 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 187, 188,
 igr2= 987, 988,
 &end
#
# 15 ASP- QB 67 GLU- QG 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 187, 188,
 igr2= 990, 991,
 &end
#
# 16 ALA HA 64 PHE QD 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 941, 949,
 &end
#
# 16 ALA HA 67 GLU- HA 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 985, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 16 ALA HA 67 GLU- QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 987, 988,
 &end
#
# 16 ALA HA 67 GLU- QG 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 990, 991,
 &end
#
# 16 ALA HA 70 ALA HN 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1025, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 16 ALA HA 70 ALA QB 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1029,1030,1031,
 &end
#
# 16 ALA HA 71 ASP- HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 197,1035, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 16 ALA HN 16 ALA QB 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 199, 200, 201,
 &end
#
# 16 ALA HN 70 ALA QB 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1029,1030,1031,
 &end
#
# 16 ALA QB 17 THR HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HB2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HB3 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 938, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 64 PHE QD 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 199, 200, 201,
 igr2= 941, 949,
 &end
#
# 16 ALA QB 66 SER HA 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 66 SER HB3 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 66 SER HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HA 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 199, 200, 201,
 &end
#
# 16 ALA QB 67 GLU- QG 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 199, 200, 201,
 igr2= 990, 991,
 &end
#
# 16 ALA QB 70 ALA HN 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 199, 200, 201,
 &end
#
# 17 THR HA 17 THR QG2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 211, 212, 213,
 &end
#
# 17 THR HA 18 VAL HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 17 THR HA 18 VAL QG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 229, 230, 231,
 &end
#
# 17 THR HA 62 VAL HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 17 THR HA 63 GLU- HA 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 920, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 17 THR HA 63 GLU- HB2 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 922, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 17 THR HA 63 GLU- QG 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 925, 926,
 &end
#
# 17 THR HA 64 PHE HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 17 THR HA 64 PHE QD 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 941, 949,
 &end
#
# 17 THR HA 70 ALA QB 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1029,1030,1031,
 &end
#
# 17 THR HB 18 VAL HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 219, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 17 THR HB 92 ALA HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1403, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 17 THR HB 92 ALA QB 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1407,1408,1409,
 &end
#
# 17 THR HN 17 THR HB 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 17 THR HN 17 THR QG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 211, 212, 213,
 &end
#
# 17 THR HN 18 VAL HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 17 THR HN 70 ALA QB 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1029,1030,1031,
 &end
#
# 17 THR QG2 18 VAL HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 18 VAL HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 18 VAL HN 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 46 HIS  HB2 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HA 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HB2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE HB3 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 61 PHE QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 211, 212, 213,
 igr2= 886, 887,
 &end
#
# 17 THR QG2 61 PHE QD 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 211, 212, 213,
 igr2= 890, 898,
 &end
#
# 17 THR QG2 62 VAL HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 62 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 211, 212, 213,
 igr2= 908, 909, 910,
 &end
#
# 17 THR QG2 62 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 211, 212, 213,
 igr2= 912, 913, 914,
 &end
#
# 17 THR QG2 63 GLU- HB2 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 63 GLU- HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 63 GLU- HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 64 PHE HN 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 211, 212, 213,
 &end
#
# 17 THR QG2 92 ALA QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 211, 212, 213,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL HA 18 VAL QG1 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 225, 226, 227,
 &end
#
# 18 VAL HA 18 VAL QG2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 229, 230, 231,
 &end
#
# 18 VAL HA 19 TYR HB2 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 239, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 18 VAL HA 19 TYR HB3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 18 VAL HA 19 TYR HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 18 VAL HA 90 ASN HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1367, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 18 VAL HA 91 LYS+ HA 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 18 VAL HA 92 ALA HA 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 18 VAL HA 92 ALA HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1403, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 18 VAL HA 92 ALA QB 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL HB 19 TYR HN 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 18 VAL HB 74 ILE QD1 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1091,1092,1093,
 &end
#
# 18 VAL HB 89 VAL QG1 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1357,1358,1359,
 &end
#
# 18 VAL HB 90 ASN HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 223,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 18 VAL HN 18 VAL QG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 225, 226, 227,
 &end
#
# 18 VAL HN 18 VAL QG2 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 229, 230, 231,
 &end
#
# 18 VAL HN 61 PHE HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 884, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 18 VAL HN 62 VAL HB 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 906, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 18 VAL HN 62 VAL HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 902, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 18 VAL HN 64 PHE HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 933, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 18 VAL HN 92 ALA QB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL QG1 62 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 62 VAL QG1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 225, 226, 227,
 igr2= 908, 909, 910,
 &end
#
# 18 VAL QG1 64 PHE QE 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 225, 226, 227,
 igr2= 943, 947,
 &end
#
# 18 VAL QG1 70 ALA HA 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 70 ALA QB 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 225, 226, 227,
 igr2=1029,1030,1031,
 &end
#
# 18 VAL QG1 73 ALA QB 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 225, 226, 227,
 igr2=1072,1073,1074,
 &end
#
# 18 VAL QG1 74 ILE HG13 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 74 ILE HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 91 LYS+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 91 LYS+ QE 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 225, 226, 227,
 igr2=1394,1395,
 &end
#
# 18 VAL QG1 92 ALA HN 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 225, 226, 227,
 &end
#
# 18 VAL QG1 92 ALA QB 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 225, 226, 227,
 igr2=1407,1408,1409,
 &end
#
# 18 VAL QG2 19 TYR HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 20 VAL QG2 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 229, 230, 231,
 igr2= 266, 267, 268,
 &end
#
# 18 VAL QG2 36 PHE QD 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 229, 230, 231,
 igr2= 514, 522,
 &end
#
# 18 VAL QG2 36 PHE QE 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 229, 230, 231,
 igr2= 516, 520,
 &end
#
# 18 VAL QG2 61 PHE HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HB 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 62 VAL QG2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 229, 230, 231,
 igr2= 912, 913, 914,
 &end
#
# 18 VAL QG2 64 PHE HZ 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 64 PHE QD 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 229, 230, 231,
 igr2= 941, 949,
 &end
#
# 18 VAL QG2 64 PHE QE 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 229, 230, 231,
 igr2= 943, 947,
 &end
#
# 18 VAL QG2 70 ALA HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 74 ILE HG13 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 229, 230, 231,
 &end
#
# 18 VAL QG2 90 ASN HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 229, 230, 231,
 &end
#
# 19 TYR HA 19 TYR QD 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 243, 252,
 &end
#
# 19 TYR HA 20 VAL HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 19 TYR HA 20 VAL QG2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 266, 267, 268,
 &end
#
# 19 TYR HA 61 PHE HA 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 884, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 19 TYR HA 61 PHE QD 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 890, 898,
 &end
#
# 19 TYR HA 62 VAL HN 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 902, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 19 TYR HA 92 ALA QB 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR HB2 20 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 TYR HB2 61 PHE QE 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 892, 896,
 &end
#
# 19 TYR HB2 92 ALA HA 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 239,1405, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 19 TYR HB2 92 ALA QB 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR HB3 20 VAL HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 19 TYR HB3 89 VAL QG1 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1357,1358,1359,
 &end
#
# 19 TYR HB3 90 ASN HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 240,1367, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 19 TYR HN 19 TYR HB3 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 19 TYR HN 19 TYR QD 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 243, 252,
 &end
#
# 19 TYR HN 91 LYS+ HA 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1383, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 19 TYR HN 92 ALA HA 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1405, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 19 TYR HN 92 ALA HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 235,1403, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 19 TYR HN 92 ALA QB 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR QD 20 VAL HA 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 20 VAL HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 21 GLY HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 61 PHE HZ 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 61 PHE QD 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 243, 252,
 igr2= 890, 898,
 &end
#
# 19 TYR QD 61 PHE QE 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 243, 252,
 igr2= 892, 896,
 &end
#
# 19 TYR QD 90 ASN HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 90 ASN QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 243, 252,
 igr2=1371,1372,
 &end
#
# 19 TYR QD 92 ALA HA 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 243, 252,
 &end
#
# 19 TYR QD 92 ALA QB 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 243, 252,
 igr2=1407,1408,1409,
 &end
#
# 19 TYR QE 21 GLY HA2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 21 GLY HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR HB2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR HB3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 245, 250,
 &end
#
# 19 TYR QE 59 TYR QB 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 245, 250,
 igr2= 858, 859,
 &end
#
# 19 TYR QE 59 TYR QD 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 245, 250,
 igr2= 862, 871,
 &end
#
# 19 TYR QE 59 TYR QE 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 245, 250,
 igr2= 864, 869,
 &end
#
# 19 TYR QE 61 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 250,
 &end
#
# 20 VAL HA 20 VAL QG1 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 262, 263, 264,
 &end
#
# 20 VAL HA 20 VAL QG2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 266, 267, 268,
 &end
#
# 20 VAL HA 21 GLY HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 272, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 20 VAL HA 23 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 299, 300, 301,
 &end
#
# 20 VAL HA 87 ILE HB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 20 VAL HA 87 ILE QD1 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL HA 88 ARG+ HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1327, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 20 VAL HA 89 VAL HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 20 VAL HA 89 VAL QG1 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1357,1358,1359,
 &end
#
# 20 VAL HA 89 VAL QG2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1361,1362,1363,
 &end
#
# 20 VAL HB 21 GLY HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 272, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 20 VAL HB 23 LEU QD1 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 295, 296, 297,
 &end
#
# 20 VAL HB 23 LEU QD2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 299, 300, 301,
 &end
#
# 20 VAL HB 36 PHE HZ 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 20 VAL HB 60 GLY HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 875, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 20 VAL HN 20 VAL HB 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 20 VAL HN 20 VAL QG1 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 262, 263, 264,
 &end
#
# 20 VAL HN 20 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 266, 267, 268,
 &end
#
# 20 VAL HN 21 GLY HN 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 20 VAL HN 59 TYR QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 858, 859,
 &end
#
# 20 VAL HN 60 GLY HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 875, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 20 VAL HN 61 PHE HA 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 884, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 20 VAL QG1 21 GLY HN 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 22 GLY HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 23 LEU HG 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 23 LEU QD1 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 262, 263, 264,
 igr2= 295, 296, 297,
 &end
#
# 20 VAL QG1 36 PHE HZ 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 36 PHE QE 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 262, 263, 264,
 igr2= 516, 520,
 &end
#
# 20 VAL QG1 59 TYR HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 60 GLY HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 62 VAL QG2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 262, 263, 264,
 igr2= 912, 913, 914,
 &end
#
# 20 VAL QG1 87 ILE HB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 87 ILE QD1 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 262, 263, 264,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL QG1 88 ARG+ HN 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 89 VAL HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 262, 263, 264,
 &end
#
# 20 VAL QG1 89 VAL QG2 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 262, 263, 264,
 igr2=1361,1362,1363,
 &end
#
# 20 VAL QG2 21 GLY HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 36 PHE HZ 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 36 PHE QE 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 266, 267, 268,
 igr2= 516, 520,
 &end
#
# 20 VAL QG2 61 PHE HA 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL HB 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 62 VAL QG2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 266, 267, 268,
 igr2= 912, 913, 914,
 &end
#
# 20 VAL QG2 87 ILE QD1 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 266, 267, 268,
 igr2=1321,1322,1323,
 &end
#
# 20 VAL QG2 89 VAL HA 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 266, 267, 268,
 &end
#
# 20 VAL QG2 89 VAL QG1 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 266, 267, 268,
 igr2=1357,1358,1359,
 &end
#
# 20 VAL QG2 89 VAL QG2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 266, 267, 268,
 igr2=1361,1362,1363,
 &end
#
# 21 GLY HA2 23 LEU QD1 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 295, 296, 297,
 &end
#
# 21 GLY HA2 59 TYR HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 856, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 21 GLY HA2 59 TYR HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 21 GLY HA2 59 TYR HB3 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 21 GLY HA2 59 TYR QB 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 858, 859,
 &end
#
# 21 GLY HA3 22 GLY HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21 GLY HA3 59 TYR HA 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 856, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 GLY HA3 59 TYR HB2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 858, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 21 GLY HA3 59 TYR HB3 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 859, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 21 GLY HA3 59 TYR QB 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 858, 859,
 &end
#
# 21 GLY HN 22 GLY HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 279, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 21 GLY HN 88 ARG+ HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 272,1327, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 21 GLY HN 89 VAL HA 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 272,1353, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 21 GLY HN 89 VAL QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1361,1362,1363,
 &end
#
# 22 GLY HA2 23 LEU HG 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 22 GLY HA2 87 ILE HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 281,1310, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 22 GLY HA2 87 ILE QG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1314,1315,1316,
 &end
#
# 22 GLY HA3 87 ILE HA 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1310, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 22 GLY HA3 87 ILE QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1314,1315,1316,
 &end
#
# 22 GLY HA3 88 ARG+ HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1327, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 22 GLY HN 23 LEU HG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 293, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 22 GLY HN 23 LEU HN 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 22 GLY HN 23 LEU QD1 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 295, 296, 297,
 &end
#
# 22 GLY HN 59 TYR HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 856, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 22 GLY HN 59 TYR HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 22 GLY HN 59 TYR HB3 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 23 LEU HA 23 LEU QD1 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HA 23 LEU QD2 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 299, 300, 301,
 &end
#
# 23 LEU HA 24 ASP- HB2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 309, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HA 24 ASP- HB3 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 310, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 23 LEU HA 24 ASP- HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 23 LEU HA 27 VAL HB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 358, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 23 LEU HA 27 VAL QG2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU HA 82 LEU QD2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1238,1239,1240,
 &end
#
# 23 LEU HA 87 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1321,1322,1323,
 &end
#
# 23 LEU HA 87 ILE QG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1314,1315,1316,
 &end
#
# 23 LEU HB2 23 LEU QD1 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HB2 27 VAL HB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 358, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 23 LEU HB2 47 MET QE 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 681, 682, 683,
 &end
#
# 23 LEU HB2 56 HIS  HE1 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HB2 58 GLY HA2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 849, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 23 LEU HB2 58 GLY HA3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 850, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 23 LEU HB3 23 LEU QD1 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HB3 27 VAL HB 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 23 LEU HB3 27 VAL HN 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 354, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 23 LEU HB3 56 HIS  HE1 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 822, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 23 LEU HB3 58 GLY HA2 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 23 LEU HG 59 TYR HA 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 856, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 LEU HN 23 LEU HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 23 LEU HN 23 LEU HB3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 23 LEU HN 23 LEU HG 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 23 LEU HN 23 LEU QD1 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 295, 296, 297,
 &end
#
# 23 LEU HN 23 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 299, 300, 301,
 &end
#
# 23 LEU HN 24 ASP- HA 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 23 LEU HN 24 ASP- HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 23 LEU HN 58 GLY HA2 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 849, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LEU HN 58 GLY HA3 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 23 LEU HN 59 TYR HA 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 856, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 23 LEU HN 87 ILE QG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1314,1315,1316,
 &end
#
# 23 LEU QD1 27 VAL HB 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 27 VAL QG1 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 295, 296, 297,
 igr2= 360, 361, 362,
 &end
#
# 23 LEU QD1 27 VAL QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 295, 296, 297,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU QD1 32 LEU QD1 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 295, 296, 297,
 igr2= 438, 439, 440,
 &end
#
# 23 LEU QD1 32 LEU QD2 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 295, 296, 297,
 igr2= 442, 443, 444,
 &end
#
# 23 LEU QD1 47 MET HG2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 47 MET HG3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 47 MET QE 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 295, 296, 297,
 igr2= 681, 682, 683,
 &end
#
# 23 LEU QD1 47 MET QG 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 295, 296, 297,
 igr2= 677, 678,
 &end
#
# 23 LEU QD1 56 HIS  QB 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 295, 296, 297,
 igr2= 817, 818,
 &end
#
# 23 LEU QD1 59 TYR HA 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 59 TYR HN 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 59 TYR QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 295, 296, 297,
 igr2= 858, 859,
 &end
#
# 23 LEU QD1 60 GLY HA2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 60 GLY HA3 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD1 60 GLY HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 295, 296, 297,
 &end
#
# 23 LEU QD2 24 ASP- HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 27 VAL HB 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 27 VAL QG2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 299, 300, 301,
 igr2= 364, 365, 366,
 &end
#
# 23 LEU QD2 59 TYR HA 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 82 LEU HB3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 87 ILE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 299, 300, 301,
 &end
#
# 23 LEU QD2 87 ILE QG2 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 299, 300, 301,
 igr2=1314,1315,1316,
 &end
#
# 24 ASP- HA 25 GLU- HA 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 24 ASP- HA 25 GLU- HN 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 24 ASP- HA 26 LYS+ HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 332, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 24 ASP- HA 27 VAL QG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HA 85 LYS+ HD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1282, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 24 ASP- HA 85 LYS+ HD3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1283, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 24 ASP- HB2 26 LYS+ HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 24 ASP- HB2 27 VAL QG2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HB2 83 TYR QB 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1248,1249,
 &end
#
# 24 ASP- HB2 83 TYR QD 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1252,1261,
 &end
#
# 24 ASP- HB2 85 LYS+ HD2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 309,1282, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 24 ASP- HB2 85 LYS+ HD3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 309,1283, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 24 ASP- HB2 85 LYS+ QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1282,1283,
 &end
#
# 24 ASP- HB3 26 LYS+ HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 24 ASP- HB3 26 LYS+ QB 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 336, 337,
 &end
#
# 24 ASP- HB3 27 VAL HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 354, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 24 ASP- HB3 27 VAL QG2 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 364, 365, 366,
 &end
#
# 24 ASP- HB3 83 TYR HB2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1248, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 24 ASP- HB3 83 TYR HB3 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 310,1249, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 24 ASP- HB3 83 TYR QB 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1248,1249,
 &end
#
# 24 ASP- HB3 83 TYR QD 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1252,1261,
 &end
#
# 24 ASP- HB3 85 LYS+ QD 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1282,1283,
 &end
#
# 24 ASP- HN 24 ASP- HB2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 24 ASP- HN 24 ASP- HB3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 24 ASP- HN 27 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 364, 365, 366,
 &end
#
# 25 GLU- HA 56 HIS  HE1 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 822, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 25 GLU- HB2 26 LYS+ HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 25 GLU- HB3 26 LYS+ HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 25 GLU- HG2 26 LYS+ HG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG2 26 LYS+ HG3 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG2 26 LYS+ HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 25 GLU- HG3 26 LYS+ HG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG3 26 LYS+ HG3 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 25 GLU- HG3 26 LYS+ HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 25 GLU- HN 25 GLU- HG2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 25 GLU- HN 25 GLU- HG3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 325, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 25 GLU- HN 25 GLU- QB 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 321, 322,
 &end
#
# 25 GLU- HN 25 GLU- QG 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 324, 325,
 &end
#
# 25 GLU- HN 26 LYS+ HN 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 25 GLU- QG 26 LYS+ QG 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 324, 325,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HA 26 LYS+ HD2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 LYS+ HA 26 LYS+ HD3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 LYS+ HA 26 LYS+ HG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 26 LYS+ HA 26 LYS+ HG3 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 340, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 26 LYS+ HA 26 LYS+ QD 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 342, 343,
 &end
#
# 26 LYS+ HA 26 LYS+ QE 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 345, 346,
 &end
#
# 26 LYS+ HA 26 LYS+ QG 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HE2 83 TYR QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1252,1261,
 &end
#
# 26 LYS+ HE2 83 TYR QE 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1254,1259,
 &end
#
# 26 LYS+ HE3 83 TYR QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1252,1261,
 &end
#
# 26 LYS+ HE3 83 TYR QE 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1254,1259,
 &end
#
# 26 LYS+ HN 26 LYS+ HB2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 LYS+ HN 26 LYS+ HB3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 LYS+ HN 26 LYS+ HD2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 26 LYS+ HN 26 LYS+ HD3 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 26 LYS+ HN 26 LYS+ QB 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 336, 337,
 &end
#
# 26 LYS+ HN 26 LYS+ QD 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 342, 343,
 &end
#
# 26 LYS+ HN 26 LYS+ QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 345, 346,
 &end
#
# 26 LYS+ HN 26 LYS+ QG 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 339, 340,
 &end
#
# 26 LYS+ HN 27 VAL HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 354, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 26 LYS+ HN 27 VAL QG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 364, 365, 366,
 &end
#
# 26 LYS+ QB 26 LYS+ QD 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 336, 337,
 igr2= 342, 343,
 &end
#
# 26 LYS+ QB 26 LYS+ QE 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 336, 337,
 igr2= 345, 346,
 &end
#
# 26 LYS+ QB 83 TYR QE 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 336, 337,
 igr2=1254,1259,
 &end
#
# 26 LYS+ QD 83 TYR QE 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 342, 343,
 igr2=1254,1259,
 &end
#
# 26 LYS+ QE 83 TYR QB 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 345, 346,
 igr2=1248,1249,
 &end
#
# 26 LYS+ QE 83 TYR QD 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 345, 346,
 igr2=1252,1261,
 &end
#
# 27 VAL HA 27 VAL QG1 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 360, 361, 362,
 &end
#
# 27 VAL HA 27 VAL QG2 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 364, 365, 366,
 &end
#
# 27 VAL HA 28 SER HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 370, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 27 VAL HA 31 LEU HB2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 414, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 27 VAL HA 31 LEU HB3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 415, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 27 VAL HA 31 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 VAL HA 31 LEU QD1 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 419, 420, 421,
 &end
#
# 27 VAL HA 31 LEU QD2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL HA 83 TYR QE 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1254,1259,
 &end
#
# 27 VAL HB 47 MET QE 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 681, 682, 683,
 &end
#
# 27 VAL HB 82 LEU QD2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL HN 27 VAL HB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 27 VAL HN 27 VAL QG1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 360, 361, 362,
 &end
#
# 27 VAL HN 27 VAL QG2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 364, 365, 366,
 &end
#
# 27 VAL HN 28 SER HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 27 VAL HN 31 LEU QD2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL HN 82 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL QG1 28 SER HA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 28 SER HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 28 SER QB 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 360, 361, 362,
 igr2= 374, 375,
 &end
#
# 27 VAL QG1 31 LEU HB2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU HB3 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 31 LEU QD2 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 360, 361, 362,
 igr2= 423, 424, 425,
 &end
#
# 27 VAL QG1 32 LEU HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU HG 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU HN 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 360, 361, 362,
 &end
#
# 27 VAL QG1 32 LEU QD1 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 360, 361, 362,
 igr2= 438, 439, 440,
 &end
#
# 27 VAL QG1 32 LEU QD2 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 360, 361, 362,
 igr2= 442, 443, 444,
 &end
#
# 27 VAL QG2 82 LEU HB2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU HB3 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU HG 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 364, 365, 366,
 &end
#
# 27 VAL QG2 82 LEU QD1 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 364, 365, 366,
 igr2=1234,1235,1236,
 &end
#
# 27 VAL QG2 82 LEU QD2 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 364, 365, 366,
 igr2=1238,1239,1240,
 &end
#
# 27 VAL QG2 83 TYR QD 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365, 366,
 igr2=1252,1261,
 &end
#
# 27 VAL QG2 83 TYR QE 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365, 366,
 igr2=1254,1259,
 &end
#
# 28 SER HA 47 MET QE 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 681, 682, 683,
 &end
#
# 28 SER HB2 29 GLU- HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 28 SER HB3 29 GLU- HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 28 SER HN 28 SER QB 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 374, 375,
 &end
#
# 28 SER HN 31 LEU HB2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 414, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 28 SER HN 31 LEU HB3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 28 SER HN 31 LEU HN 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 410, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 28 SER HN 31 LEU QD1 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 419, 420, 421,
 &end
#
# 28 SER HN 31 LEU QD2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 423, 424, 425,
 &end
#
# 28 SER HN 32 LEU HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 429, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 28 SER HN 47 MET QE 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 681, 682, 683,
 &end
#
# 28 SER QB 29 GLU- HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 374, 375,
 &end
#
# 28 SER QB 29 GLU- QB 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 374, 375,
 igr2= 385, 386,
 &end
#
# 28 SER QB 30  PRO HD2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 374, 375,
 &end
#
# 28 SER QB 30  PRO HD3 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 374, 375,
 &end
#
# 28 SER QB 30  PRO QG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 374, 375,
 igr2= 400, 401,
 &end
#
# 28 SER QB 47 MET QE 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 374, 375,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HA 29 GLU- HG2 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 29 GLU- HA 31 LEU HB3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 415, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 29 GLU- HA 32 LEU HB2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 433, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 GLU- HA 32 LEU HB3 1.80 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 29 GLU- HA 32 LEU HG 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 436, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 29 GLU- HA 32 LEU HN 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 429, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 29 GLU- HA 32 LEU QD2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 442, 443, 444,
 &end
#
# 29 GLU- HA 33 TRP HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 GLU- HA 45 THR QG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HA 47 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HA 47 MET QG 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 677, 678,
 &end
#
# 29 GLU- HB2 30  PRO HD3 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 GLU- HB3 30  PRO HD3 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 29 GLU- HG2 45 THR HB 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 643, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 29 GLU- HG2 45 THR QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HG2 46 HIS  HA 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 655, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 29 GLU- HG2 47 MET HB2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 674, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 29 GLU- HG2 47 MET HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 670, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 29 GLU- HG2 47 MET QG 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 677, 678,
 &end
#
# 29 GLU- HG3 45 THR QG2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 645, 646, 647,
 &end
#
# 29 GLU- HG3 46 HIS  HA 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 655, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 GLU- HG3 47 MET HB2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 674, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 29 GLU- HG3 47 MET HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 670, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 GLU- HG3 47 MET QE 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HG3 47 MET QG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 677, 678,
 &end
#
# 29 GLU- HN 29 GLU- HB2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 29 GLU- HN 29 GLU- HB3 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 29 GLU- HN 30  PRO HD2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 GLU- HN 30  PRO HD3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 29 GLU- HN 47 MET QE 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 681, 682, 683,
 &end
#
# 29 GLU- HN 47 MET QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 677, 678,
 &end
#
# 29 GLU- QB 30  PRO HD2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 385, 386,
 &end
#
# 30  PRO HA 30  PRO HG2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 30  PRO HA 30  PRO HG3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 401, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 30  PRO HA 30  PRO QG 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 400, 401,
 &end
#
# 30  PRO HA 33 TRP HB2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 30  PRO HA 33 TRP HB3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 453, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30  PRO HA 33 TRP HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 448, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 30  PRO HA 34 GLU- HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 472, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 30  PRO HB2 31 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 30  PRO HB3 31 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 30  PRO HD2 30  PRO HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 30  PRO HD2 30  PRO HB2 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 30  PRO HD2 30  PRO HB3 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 30  PRO HD2 30  PRO HG2 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30  PRO HD2 30  PRO HG3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 30  PRO HD2 30  PRO QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 403, 404,
 &end
#
# 30  PRO HD2 30  PRO QG 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 400, 401,
 &end
#
# 30  PRO HD2 31 LEU HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 30  PRO HD3 30  PRO HB2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 30  PRO HD3 30  PRO HB3 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 30  PRO HD3 30  PRO HG2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 30  PRO HD3 30  PRO HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 401, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 30  PRO HD3 30  PRO QB 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 403, 404,
 &end
#
# 30  PRO HD3 30  PRO QG 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 400, 401,
 &end
#
# 30  PRO HD3 31 LEU HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 410, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 30  PRO QB 31 LEU HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 403, 404,
 &end
#
# 30  PRO QG 31 LEU HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 400, 401,
 &end
#
# 31 LEU HA 31 LEU HG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 31 LEU HA 31 LEU QD1 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 419, 420, 421,
 &end
#
# 31 LEU HA 31 LEU QD2 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HA 34 GLU- HB2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 31 LEU HA 35 LEU HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 487, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 31 LEU HB2 31 LEU QD2 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HB2 32 LEU HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 429, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 31 LEU HB3 31 LEU QD2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HB3 32 LEU HA 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 431, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 31 LEU HB3 32 LEU HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 31 LEU HB3 32 LEU QD2 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 442, 443, 444,
 &end
#
# 31 LEU HB3 35 LEU QD2 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 500, 501, 502,
 &end
#
# 31 LEU HB3 82 LEU QD2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU HG 32 LEU HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 31 LEU HG 35 LEU HG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 494, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 31 LEU HG 35 LEU QD1 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 496, 497, 498,
 &end
#
# 31 LEU HG 35 LEU QD2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 500, 501, 502,
 &end
#
# 31 LEU HG 82 LEU QD2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU HN 31 LEU HB2 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 31 LEU HN 31 LEU HB3 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 31 LEU HN 31 LEU HG 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 417, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 31 LEU HN 31 LEU QD1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 419, 420, 421,
 &end
#
# 31 LEU HN 31 LEU QD2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 423, 424, 425,
 &end
#
# 31 LEU HN 32 LEU HG 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 436, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 31 LEU HN 32 LEU HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 429, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 31 LEU HN 33 TRP HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 31 LEU QD1 32 LEU HA 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 32 LEU HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 34 GLU- HB2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 35 LEU HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 419, 420, 421,
 &end
#
# 31 LEU QD1 35 LEU QD1 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 419, 420, 421,
 igr2= 496, 497, 498,
 &end
#
# 31 LEU QD1 83 TYR QE 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 419, 420, 421,
 igr2=1254,1259,
 &end
#
# 31 LEU QD2 32 LEU HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 423, 424, 425,
 &end
#
# 31 LEU QD2 32 LEU HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 423, 424, 425,
 &end
#
# 31 LEU QD2 32 LEU QD1 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 423, 424, 425,
 igr2= 438, 439, 440,
 &end
#
# 31 LEU QD2 82 LEU QD1 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 423, 424, 425,
 igr2=1234,1235,1236,
 &end
#
# 31 LEU QD2 82 LEU QD2 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 423, 424, 425,
 igr2=1238,1239,1240,
 &end
#
# 31 LEU QD2 83 TYR QE 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 423, 424, 425,
 igr2=1254,1259,
 &end
#
# 32 LEU HA 32 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 32 LEU HA 32 LEU QD1 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HA 32 LEU QD2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HA 35 LEU HB2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 491, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 32 LEU HA 35 LEU HB3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 492, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 32 LEU HA 35 LEU HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 487, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 32 LEU HA 35 LEU QD2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 500, 501, 502,
 &end
#
# 32 LEU HA 36 PHE QD 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 514, 522,
 &end
#
# 32 LEU HA 45 THR QG2 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB2 32 LEU QD1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HB2 32 LEU QD2 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HB2 33 TRP HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 32 LEU HB2 45 THR HB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 32 LEU HB2 45 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB2 62 VAL QG1 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 908, 909, 910,
 &end
#
# 32 LEU HB2 62 VAL QG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HB3 32 LEU QD1 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HB3 32 LEU QD2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HB3 33 TRP HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 32 LEU HB3 45 THR HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 LEU HB3 45 THR QG2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HB3 62 VAL QG2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HG 33 TRP HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 448, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 32 LEU HG 45 THR HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 LEU HG 45 THR QG2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU HG 62 VAL QG2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU HN 32 LEU HB2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 32 LEU HN 32 LEU HB3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 LEU HN 32 LEU HG 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 436, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 32 LEU HN 32 LEU QD1 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 438, 439, 440,
 &end
#
# 32 LEU HN 32 LEU QD2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 442, 443, 444,
 &end
#
# 32 LEU HN 33 TRP HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 32 LEU QD1 33 TRP HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 36 PHE QD 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 438, 439, 440,
 igr2= 514, 522,
 &end
#
# 32 LEU QD1 36 PHE QE 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 438, 439, 440,
 igr2= 516, 520,
 &end
#
# 32 LEU QD1 45 THR HA 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 45 THR HB 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 45 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 438, 439, 440,
 igr2= 645, 646, 647,
 &end
#
# 32 LEU QD1 46 HIS  HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 47 MET QE 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 438, 439, 440,
 igr2= 681, 682, 683,
 &end
#
# 32 LEU QD1 47 MET QG 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 438, 439, 440,
 igr2= 677, 678,
 &end
#
# 32 LEU QD1 60 GLY HA3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 60 GLY HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 61 PHE HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 62 VAL HA 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 438, 439, 440,
 &end
#
# 32 LEU QD1 62 VAL QG2 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 438, 439, 440,
 igr2= 912, 913, 914,
 &end
#
# 32 LEU QD2 33 TRP HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 36 PHE QD 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 442, 443, 444,
 igr2= 514, 522,
 &end
#
# 32 LEU QD2 36 PHE QE 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 442, 443, 444,
 igr2= 516, 520,
 &end
#
# 32 LEU QD2 47 MET HG2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 47 MET HG3 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 60 GLY HA3 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 60 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 61 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 442, 443, 444,
 &end
#
# 32 LEU QD2 62 VAL QG2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 442, 443, 444,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HA 33 TRP HD1 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 TRP HA 33 TRP HE3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 33 TRP HA 36 PHE HB3 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 511, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 33 TRP HA 36 PHE HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 506, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 TRP HA 42 VAL QG1 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HA 42 VAL QG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 603, 604, 605,
 &end
#
# 33 TRP HA 45 THR QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HA 62 VAL QG1 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 908, 909, 910,
 &end
#
# 33 TRP HA 62 VAL QG2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HB2 33 TRP HE3 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 467, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 33 TRP HB2 34 GLU- HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 472, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 33 TRP HB2 45 THR HB 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 643, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 33 TRP HB2 45 THR QG2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HB3 33 TRP HE3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 33 TRP HB3 34 GLU- HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 33 TRP HB3 45 THR QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HD1 34 GLU- HA 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 474, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 33 TRP HD1 34 GLU- HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 33 TRP HD1 36 PHE HN 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 33 TRP HD1 37 LEU HG 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 533, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 33 TRP HD1 37 LEU HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 526, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 33 TRP HD1 37 LEU QD1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 535, 536, 537,
 &end
#
# 33 TRP HD1 37 LEU QD2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 539, 540, 541,
 &end
#
# 33 TRP HD1 42 VAL HB 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 597, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 33 TRP HD1 42 VAL QG1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HD1 42 VAL QG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 603, 604, 605,
 &end
#
# 33 TRP HE1 37 LEU HG 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 533, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 33 TRP HE1 37 LEU QD2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 539, 540, 541,
 &end
#
# 33 TRP HE1 42 VAL HB 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 597, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 33 TRP HE3 34 GLU- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 TRP HE3 42 VAL QG1 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HE3 44 ASN HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 627, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 33 TRP HE3 45 THR HB 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 643, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 33 TRP HE3 45 THR HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 33 TRP HE3 45 THR QG2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HH2 43 VAL HA 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 611, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 33 TRP HN 33 TRP HB2 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 33 TRP HN 33 TRP HB3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 33 TRP HN 33 TRP HD1 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 33 TRP HN 33 TRP HE3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 33 TRP HN 34 GLU- HB2 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 33 TRP HN 34 GLU- HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 33 TRP HN 35 LEU HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 487, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 33 TRP HN 45 THR QG2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 645, 646, 647,
 &end
#
# 33 TRP HN 62 VAL QG2 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 912, 913, 914,
 &end
#
# 33 TRP HZ2 42 VAL QG1 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 599, 600, 601,
 &end
#
# 33 TRP HZ2 43 VAL HA 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 611, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 33 TRP HZ3 45 THR HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 639, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 33 TRP HZ3 45 THR QG2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 645, 646, 647,
 &end
#
# 34 GLU- HA 34 GLU- QG 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 479, 480,
 &end
#
# 34 GLU- HA 37 LEU HB2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 34 GLU- HA 37 LEU HB3 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 34 GLU- HA 37 LEU HG 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 533, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 34 GLU- HA 37 LEU HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 526, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 34 GLU- HA 37 LEU QD1 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HA 37 LEU QD2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 539, 540, 541,
 &end
#
# 34 GLU- HB2 35 LEU HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 34 GLU- HB2 35 LEU QD1 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 496, 497, 498,
 &end
#
# 34 GLU- HB3 37 LEU QD1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HG2 35 LEU HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 34 GLU- HG2 37 LEU QD1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HG3 35 LEU HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 34 GLU- HG3 37 LEU QD1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- HN 34 GLU- HB2 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 34 GLU- HN 34 GLU- HG2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 479, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 34 GLU- HN 34 GLU- HG3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 480, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 34 GLU- HN 34 GLU- QG 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 479, 480,
 &end
#
# 34 GLU- HN 35 LEU HB2 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 34 GLU- HN 35 LEU HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 34 GLU- HN 36 PHE HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 506, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 34 GLU- HN 37 LEU QD1 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 535, 536, 537,
 &end
#
# 34 GLU- QG 35 LEU HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 479, 480,
 &end
#
# 34 GLU- QG 37 LEU QD1 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 479, 480,
 igr2= 535, 536, 537,
 &end
#
# 35 LEU HA 35 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 35 LEU HA 35 LEU QD1 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HA 35 LEU QD2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HA 38 GLN HG3 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 553, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 35 LEU HA 38 GLN QE2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 557, 558,
 &end
#
# 35 LEU HB2 35 LEU QD1 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HB2 35 LEU QD2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HB2 36 PHE HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 506, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 35 LEU HB2 36 PHE QD 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 514, 522,
 &end
#
# 35 LEU HB3 35 LEU QD1 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HB3 35 LEU QD2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HB3 36 PHE HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 35 LEU HB3 36 PHE QD 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 514, 522,
 &end
#
# 35 LEU HB3 36 PHE QE 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 516, 520,
 &end
#
# 35 LEU HB3 77 MET QE 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1149,1150,1151,
 &end
#
# 35 LEU HG 36 PHE HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 35 LEU HG 36 PHE QD 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 514, 522,
 &end
#
# 35 LEU HN 35 LEU HB2 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 35 LEU HN 35 LEU HB3 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 35 LEU HN 35 LEU HG 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 35 LEU HN 35 LEU QD1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 496, 497, 498,
 &end
#
# 35 LEU HN 35 LEU QD2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 500, 501, 502,
 &end
#
# 35 LEU HN 36 PHE QD 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 514, 522,
 &end
#
# 35 LEU QD1 38 GLN HE21 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD1 38 GLN HE22 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD1 38 GLN HG3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 496, 497, 498,
 &end
#
# 35 LEU QD2 36 PHE HA 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 36 PHE HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 36 PHE QD 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 500, 501, 502,
 igr2= 514, 522,
 &end
#
# 35 LEU QD2 36 PHE QE 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 500, 501, 502,
 igr2= 516, 520,
 &end
#
# 35 LEU QD2 77 MET HB3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET HG2 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 500, 501, 502,
 &end
#
# 35 LEU QD2 77 MET QE 1.80 2.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 500, 501, 502,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HA 36 PHE QD 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 514, 522,
 &end
#
# 36 PHE HA 38 GLN HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 549, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 36 PHE HA 38 GLN HG3 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 553, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 36 PHE HA 38 GLN HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 545, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 36 PHE HA 39 ALA HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 562, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 36 PHE HA 39 ALA QB 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 566, 567, 568,
 &end
#
# 36 PHE HA 40 GLY HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 36 PHE HA 42 VAL QG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HA 62 VAL QG1 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HA 64 PHE HZ 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 945, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 36 PHE HA 73 ALA QB 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE HA 76 ILE QD1 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1132,1133,1134,
 &end
#
# 36 PHE HA 77 MET QE 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HB2 37 LEU HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 526, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 36 PHE HB2 42 VAL QG1 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 599, 600, 601,
 &end
#
# 36 PHE HB2 42 VAL QG2 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HB2 45 THR QG2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 645, 646, 647,
 &end
#
# 36 PHE HB2 62 VAL QG1 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HB2 62 VAL QG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HB2 64 PHE HZ 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 945, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 36 PHE HB3 37 LEU HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 36 PHE HB3 42 VAL QG2 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HB3 62 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HB3 64 PHE HZ 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 945, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 36 PHE HB3 64 PHE QE 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 943, 947,
 &end
#
# 36 PHE HB3 77 MET QE 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HN 36 PHE HB2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 36 PHE HN 36 PHE HB3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 36 PHE HN 36 PHE QD 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 514, 522,
 &end
#
# 36 PHE HN 36 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 516, 520,
 &end
#
# 36 PHE HN 37 LEU HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 530, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 36 PHE HN 37 LEU HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 526, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 36 PHE HN 38 GLN HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 545, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 36 PHE HN 42 VAL QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE HN 62 VAL QG1 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE HN 62 VAL QG2 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HN 64 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 PHE HN 77 MET QE 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE HZ 62 VAL QG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE HZ 77 MET HB2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 518,1142, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 36 PHE HZ 77 MET HB3 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 518,1143, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 36 PHE HZ 89 VAL QG1 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1357,1358,1359,
 &end
#
# 36 PHE HZ 89 VAL QG2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1361,1362,1363,
 &end
#
# 36 PHE QD 37 LEU HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 514, 522,
 &end
#
# 36 PHE QD 42 VAL QG2 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 514, 522,
 igr2= 603, 604, 605,
 &end
#
# 36 PHE QD 62 VAL QG1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 514, 522,
 igr2= 908, 909, 910,
 &end
#
# 36 PHE QD 62 VAL QG2 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 514, 522,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE QD 64 PHE HZ 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 514, 522,
 &end
#
# 36 PHE QD 64 PHE QE 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 514, 522,
 igr2= 943, 947,
 &end
#
# 36 PHE QD 73 ALA QB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 514, 522,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE QD 77 MET QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 514, 522,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE QD 89 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 522,
 igr2=1361,1362,1363,
 &end
#
# 36 PHE QE 62 VAL QG2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 516, 520,
 igr2= 912, 913, 914,
 &end
#
# 36 PHE QE 73 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 73 ALA QB 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 516, 520,
 igr2=1072,1073,1074,
 &end
#
# 36 PHE QE 74 ILE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HB2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HB3 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HG2 1.80 5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET HG3 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 516, 520,
 &end
#
# 36 PHE QE 77 MET QE 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 516, 520,
 igr2=1149,1150,1151,
 &end
#
# 36 PHE QE 89 VAL QG1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 516, 520,
 igr2=1357,1358,1359,
 &end
#
# 37 LEU HA 37 LEU HG 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 37 LEU HA 37 LEU QD1 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HA 37 LEU QD2 1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HA 39 ALA HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 562, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 37 LEU HA 40 GLY HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 572, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 37 LEU HA 42 VAL HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 593, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 37 LEU HA 42 VAL QG2 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HB2 37 LEU QD1 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HB2 38 GLN HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 545, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 LEU HB3 37 LEU QD1 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HB3 37 LEU QD2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HB3 38 GLN HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 37 LEU HB3 42 VAL QG2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HG 42 VAL HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 37 LEU HG 42 VAL QG2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU HN 37 LEU HB2 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 37 LEU HN 37 LEU HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 37 LEU HN 37 LEU HG 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 37 LEU HN 37 LEU QD1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 535, 536, 537,
 &end
#
# 37 LEU HN 37 LEU QD2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 539, 540, 541,
 &end
#
# 37 LEU HN 38 GLN HN 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 37 LEU HN 42 VAL QG2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD1 41  PRO HA 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 535, 536, 537,
 &end
#
# 37 LEU QD1 42 VAL HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 535, 536, 537,
 &end
#
# 37 LEU QD1 42 VAL QG2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 535, 536, 537,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD2 38 GLN HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 40 GLY HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 41  PRO HA 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 41  PRO HB3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL HA 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 539, 540, 541,
 &end
#
# 37 LEU QD2 42 VAL QG1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 539, 540, 541,
 igr2= 599, 600, 601,
 &end
#
# 37 LEU QD2 42 VAL QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 539, 540, 541,
 igr2= 603, 604, 605,
 &end
#
# 37 LEU QD2 64 PHE QE 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 539, 540, 541,
 igr2= 943, 947,
 &end
#
# 38 GLN HA 38 GLN HG2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 38 GLN HB2 38 GLN QE2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 557, 558,
 &end
#
# 38 GLN HB2 39 ALA HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 38 GLN HB2 39 ALA QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HB2 40 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 572, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 38 GLN HB2 76 ILE QD1 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1132,1133,1134,
 &end
#
# 38 GLN HB2 77 MET QE 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HE21 77 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HE22 77 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HG2 39 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 GLN HG3 38 GLN QE2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 557, 558,
 &end
#
# 38 GLN HG3 39 ALA HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 562, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 38 GLN HG3 39 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HG3 76 ILE QD1 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1132,1133,1134,
 &end
#
# 38 GLN HG3 77 MET QE 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN HN 38 GLN HB2 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 38 GLN HN 38 GLN HG3 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 38 GLN HN 38 GLN QE2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 557, 558,
 &end
#
# 38 GLN HN 39 ALA HN 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 562, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 38 GLN HN 39 ALA QB 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 566, 567, 568,
 &end
#
# 38 GLN HN 40 GLY HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 572, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 38 GLN HN 42 VAL QG2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 603, 604, 605,
 &end
#
# 38 GLN HN 77 MET QE 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1149,1150,1151,
 &end
#
# 38 GLN QE2 77 MET QE 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 557, 558,
 igr2=1149,1150,1151,
 &end
#
# 39 ALA HA 72 TYR QD 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1055,1064,
 &end
#
# 39 ALA HA 72 TYR QE 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1057,1062,
 &end
#
# 39 ALA HA 76 ILE QD1 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA HN 39 ALA QB 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 566, 567, 568,
 &end
#
# 39 ALA HN 40 GLY HN 1.80 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 39 ALA HN 64 PHE HZ 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 945, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 39 ALA HN 64 PHE QE 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 943, 947,
 &end
#
# 39 ALA HN 73 ALA QB 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1072,1073,1074,
 &end
#
# 39 ALA HN 76 ILE QD1 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA HN 77 MET QE 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1149,1150,1151,
 &end
#
# 39 ALA QB 40 GLY HN 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 42 VAL QG2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 igr2= 603, 604, 605,
 &end
#
# 39 ALA QB 64 PHE HZ 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 64 PHE QE 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 566, 567, 568,
 igr2= 943, 947,
 &end
#
# 39 ALA QB 69 ASP- HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 69 ASP- HB3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 70 ALA HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HA 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HB3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR HN 1.80 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 72 TYR QD 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 566, 567, 568,
 igr2=1055,1064,
 &end
#
# 39 ALA QB 72 TYR QE 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 566, 567, 568,
 igr2=1057,1062,
 &end
#
# 39 ALA QB 73 ALA HA 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 73 ALA HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 74 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HG12 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HG13 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 76 ILE QD1 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 566, 567, 568,
 igr2=1132,1133,1134,
 &end
#
# 39 ALA QB 77 MET HG2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 77 MET HG3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 566, 567, 568,
 &end
#
# 39 ALA QB 77 MET HN 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 566, 567, 568,
 &end
#
# 40 GLY HA2 41  PRO HD2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 GLY HA2 41  PRO HD3 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 GLY HA2 64 PHE QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 941, 949,
 &end
#
# 40 GLY HA2 69 ASP- HB3 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 574,1018, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 40 GLY HA3 41  PRO HD2 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 GLY HA3 41  PRO HD3 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 GLY HA3 41  PRO QG 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 583, 584,
 &end
#
# 40 GLY HA3 64 PHE QE 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 943, 947,
 &end
#
# 40 GLY HA3 69 ASP- HB2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 40 GLY HA3 69 ASP- HB3 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 575,1018, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 40 GLY HN 41  PRO HD2 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 40 GLY HN 41  PRO HD3 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 581, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 40 GLY HN 41  PRO QD 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 580, 581,
 &end
#
# 40 GLY HN 42 VAL QG2 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 603, 604, 605,
 &end
#
# 40 GLY HN 64 PHE HZ 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 945, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 40 GLY HN 64 PHE QE 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 943, 947,
 &end
#
# 40 GLY HN 73 ALA QB 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1072,1073,1074,
 &end
#
# 41  PRO HA 41  PRO HG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 583, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 41  PRO HA 41  PRO HG3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 41  PRO HA 42 VAL HB 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 597, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 41  PRO HA 42 VAL HN 1.80 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 41  PRO HA 42 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 603, 604, 605,
 &end
#
# 41  PRO HB2 42 VAL HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 41  PRO HB2 43 VAL QG2 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 619, 620, 621,
 &end
#
# 41  PRO HB2 65 LEU HB2 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 957, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 41  PRO HB2 65 LEU HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 953, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 41  PRO HB2 65 LEU QD1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HB3 42 VAL HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 41  PRO HB3 65 LEU HB2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 957, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 41  PRO HB3 65 LEU QD2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO HD2 41  PRO HB3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 41  PRO HD2 41  PRO HG2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD2 41  PRO HG3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD3 41  PRO HB3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 41  PRO HD3 41  PRO HG2 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HD3 41  PRO HG3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 41  PRO HG2 65 LEU HB2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 41  PRO HG2 65 LEU HB3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 41  PRO HG2 65 LEU QD1 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HG2 65 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO HG3 65 LEU HB2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 41  PRO HG3 65 LEU HB3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 41  PRO HG3 65 LEU QD1 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 962, 963, 964,
 &end
#
# 41  PRO HG3 65 LEU QD2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO QD 41  PRO HB2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 580, 581,
 &end
#
# 41  PRO QD 41  PRO QG 1.80 2.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 580, 581,
 igr2= 583, 584,
 &end
#
# 41  PRO QD 64 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 580, 581,
 igr2= 941, 949,
 &end
#
# 41  PRO QD 65 LEU HB2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 580, 581,
 &end
#
# 41  PRO QD 65 LEU QD2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 580, 581,
 igr2= 966, 967, 968,
 &end
#
# 41  PRO QG 65 LEU HG 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 583, 584,
 &end
#
# 41  PRO QG 65 LEU HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 583, 584,
 &end
#
# 41  PRO QG 65 LEU QD1 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 583, 584,
 igr2= 962, 963, 964,
 &end
#
# 42 VAL HA 42 VAL QG1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 599, 600, 601,
 &end
#
# 42 VAL HA 42 VAL QG2 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 603, 604, 605,
 &end
#
# 42 VAL HA 43 VAL HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 42 VAL HA 43 VAL HB 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 613, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 42 VAL HA 43 VAL HN 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 609, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 42 VAL HA 43 VAL QG1 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 615, 616, 617,
 &end
#
# 42 VAL HA 43 VAL QG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 619, 620, 621,
 &end
#
# 42 VAL HA 44 ASN HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 625, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 42 VAL HA 62 VAL QG1 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL HA 64 PHE HA 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 935, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 42 VAL HA 64 PHE QD 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 941, 949,
 &end
#
# 42 VAL HA 65 LEU HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 953, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 42 VAL HN 42 VAL HB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 42 VAL HN 42 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 599, 600, 601,
 &end
#
# 42 VAL HN 42 VAL QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 603, 604, 605,
 &end
#
# 42 VAL HN 43 VAL HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 42 VAL HN 64 PHE QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 941, 949,
 &end
#
# 42 VAL QG1 43 VAL HA 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL HB 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 613, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 43 VAL QG2 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 599, 600, 601,
 igr2= 619, 620, 621,
 &end
#
# 42 VAL QG1 44 ASN HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 45 THR HA 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 45 THR QG2 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 599, 600, 601,
 igr2= 645, 646, 647,
 &end
#
# 42 VAL QG1 62 VAL HA 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 62 VAL QG1 1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 599, 600, 601,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL QG1 62 VAL QG2 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 599, 600, 601,
 igr2= 912, 913, 914,
 &end
#
# 42 VAL QG1 63 GLU- HB3 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 63 GLU- HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG1 64 PHE HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 599, 600, 601,
 &end
#
# 42 VAL QG2 43 VAL HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 45 THR QG2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 603, 604, 605,
 igr2= 645, 646, 647,
 &end
#
# 42 VAL QG2 62 VAL QG1 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr1= 603, 604, 605,
 igr2= 908, 909, 910,
 &end
#
# 42 VAL QG2 64 PHE HA 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 64 PHE HZ 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 603, 604, 605,
 &end
#
# 42 VAL QG2 64 PHE QD 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 603, 604, 605,
 igr2= 941, 949,
 &end
#
# 42 VAL QG2 64 PHE QE 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 603, 604, 605,
 igr2= 943, 947,
 &end
#
# 43 VAL HA 43 VAL QG1 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 615, 616, 617,
 &end
#
# 43 VAL HA 43 VAL QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 619, 620, 621,
 &end
#
# 43 VAL HB 44 ASN HB2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 629, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 43 VAL HB 44 ASN HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 630, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 43 VAL HB 44 ASN HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 43 VAL HB 63 GLU- QG 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 925, 926,
 &end
#
# 43 VAL HN 43 VAL HB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 613, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 43 VAL HN 43 VAL QG1 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 615, 616, 617,
 &end
#
# 43 VAL HN 43 VAL QG2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 619, 620, 621,
 &end
#
# 43 VAL HN 44 ASN HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 625, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 43 VAL HN 62 VAL QG1 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 908, 909, 910,
 &end
#
# 43 VAL HN 63 GLU- HB3 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 923, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 43 VAL HN 63 GLU- HN 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 918, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 43 VAL HN 64 PHE HA 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 935, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 43 VAL HN 64 PHE QD 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 941, 949,
 &end
#
# 43 VAL HN 65 LEU HN 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 953, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 43 VAL QG1 44 ASN HB2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HB3 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HD21 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 44 ASN HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 63 GLU- HB3 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 63 GLU- QG 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 615, 616, 617,
 igr2= 925, 926,
 &end
#
# 43 VAL QG1 64 PHE HA 1.80 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HA 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HB2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HG 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG1 65 LEU HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 615, 616, 617,
 &end
#
# 43 VAL QG2 44 ASN HB3 1.80 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 44 ASN HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- HB3 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 63 GLU- QG 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 619, 620, 621,
 igr2= 925, 926,
 &end
#
# 43 VAL QG2 64 PHE HA 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 64 PHE QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 619, 620, 621,
 igr2= 937, 938,
 &end
#
# 43 VAL QG2 65 LEU HA 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HB2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HB3 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HG 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 619, 620, 621,
 &end
#
# 43 VAL QG2 65 LEU QD1 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 619, 620, 621,
 igr2= 962, 963, 964,
 &end
#
# 43 VAL QG2 65 LEU QD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 619, 620, 621,
 igr2= 966, 967, 968,
 &end
#
# 44 ASN HB2 45 THR HN 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 639, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 44 ASN HB3 45 THR HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 44 ASN HB3 63 GLU- HB3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 923, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 44 ASN HD22 46 HIS  HB2 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 657, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 44 ASN HD22 46 HIS  HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 658, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 ASN HN 44 ASN HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 44 ASN HN 44 ASN HB3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 44 ASN HN 45 THR HA 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 641, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 44 ASN HN 45 THR HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 44 ASN HN 45 THR QG2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 645, 646, 647,
 &end
#
# 44 ASN HN 63 GLU- HB3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 923, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 44 ASN HN 63 GLU- HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 918, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 44 ASN HN 63 GLU- QG 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 925, 926,
 &end
#
# 44 ASN HN 64 PHE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 THR HA 45 THR QG2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 645, 646, 647,
 &end
#
# 45 THR HA 46 HIS  HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 45 THR HA 61 PHE HN 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 882, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 45 THR HA 62 VAL HA 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 904, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 45 THR HA 62 VAL QG1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 908, 909, 910,
 &end
#
# 45 THR HA 62 VAL QG2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 912, 913, 914,
 &end
#
# 45 THR HA 63 GLU- HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 918, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 45 THR HB 46 HIS  HN 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 45 THR HB 62 VAL HA 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 904, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 45 THR HB 62 VAL QG1 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 908, 909, 910,
 &end
#
# 45 THR HB 62 VAL QG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 912, 913, 914,
 &end
#
# 45 THR HN 45 THR QG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 645, 646, 647,
 &end
#
# 45 THR QG2 46 HIS  HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 645, 646, 647,
 &end
#
# 45 THR QG2 62 VAL HA 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 645, 646, 647,
 &end
#
# 45 THR QG2 62 VAL QG1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 645, 646, 647,
 igr2= 908, 909, 910,
 &end
#
# 45 THR QG2 62 VAL QG2 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 645, 646, 647,
 igr2= 912, 913, 914,
 &end
#
# 45 THR QG2 63 GLU- HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 645, 646, 647,
 &end
#
# 46 HIS  HA 47 MET HB2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 674, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 46 HIS  HA 47 MET HN 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 46 HIS  HA 47 MET QG 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 677, 678,
 &end
#
# 46 HIS  HB2 61 PHE QB 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 886, 887,
 &end
#
# 46 HIS  HB3 61 PHE HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 882, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 46 HIS  HB3 61 PHE QB 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 886, 887,
 &end
#
# 46 HIS  HE1 48  PRO HA 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 697, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 46 HIS  HE1 48  PRO QB 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 694, 695,
 &end
#
# 46 HIS  HE1 48  PRO QG 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 691, 692,
 &end
#
# 46 HIS  HE1 49 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 46 HIS  HB2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 46 HIS  HN 46 HIS  HB3 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 46 HIS  HN 47 MET HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 46 HIS  HN 48  PRO HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 60 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 HIS  HN 61 PHE HB2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 886, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 46 HIS  HN 61 PHE HB3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 887, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 46 HIS  HN 61 PHE HN 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 882, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 46 HIS  HN 61 PHE QB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 886, 887,
 &end
#
# 46 HIS  HN 62 VAL HA 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 904, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 46 HIS  HN 62 VAL QG2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 912, 913, 914,
 &end
#
# 47 MET HA 47 MET HG2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 47 MET HA 47 MET HG3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 47 MET HA 47 MET QG 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 677, 678,
 &end
#
# 47 MET HA 48  PRO HD2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 688, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 47 MET HA 48  PRO HD3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 689, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 47 MET HA 60 GLY HA2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 877, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 47 MET HA 61 PHE HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 882, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 47 MET HB2 47 MET QE 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HB3 47 MET QE 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG2 47 MET QE 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG2 60 GLY HA2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47 MET HG2 60 GLY HA3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 47 MET HG3 47 MET QE 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 681, 682, 683,
 &end
#
# 47 MET HG3 60 GLY HA2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47 MET HG3 60 GLY HA3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 47 MET HN 47 MET HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 MET HN 47 MET HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 MET HN 47 MET QG 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 677, 678,
 &end
#
# 47 MET QE 56 HIS  HB2 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HD2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 56 HIS  HE1 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 57 GLN HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 58 GLY HN 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 59 TYR HA 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 59 TYR HN 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HA2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HA3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 60 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QE 61 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 681, 682, 683,
 &end
#
# 47 MET QG 48  PRO HD3 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 677, 678,
 &end
#
# 47 MET QG 60 GLY HA2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 677, 678,
 &end
#
# 47 MET QG 61 PHE HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 677, 678,
 &end
#
# 48  PRO HA 48  PRO QG 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 691, 692,
 &end
#
# 48  PRO HA 49 LYS+ HN 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 48  PRO HA 49 LYS+ QB 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 705, 706,
 &end
#
# 48  PRO HA 49 LYS+ QD 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 711, 712,
 &end
#
# 48  PRO HA 49 LYS+ QG 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 708, 709,
 &end
#
# 48  PRO HB2 49 LYS+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 48  PRO HB2 59 TYR QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 864, 869,
 &end
#
# 48  PRO HB3 49 LYS+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 48  PRO HB3 59 TYR QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 864, 869,
 &end
#
# 48  PRO HD2 48  PRO HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 48  PRO HD2 48  PRO HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 48  PRO HD2 48  PRO HG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 48  PRO HD2 48  PRO HG3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 48  PRO HD2 48  PRO QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 694, 695,
 &end
#
# 48  PRO HD2 48  PRO QG 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 691, 692,
 &end
#
# 48  PRO HD2 59 TYR QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 864, 869,
 &end
#
# 48  PRO HD2 60 GLY HA2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 877, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 48  PRO HD3 48  PRO HB2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 48  PRO HD3 48  PRO HB3 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 48  PRO HD3 48  PRO HG2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 48  PRO HD3 48  PRO HG3 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 692, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 48  PRO HD3 48  PRO QB 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 694, 695,
 &end
#
# 48  PRO HD3 48  PRO QG 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 691, 692,
 &end
#
# 48  PRO HD3 59 TYR QE 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 864, 869,
 &end
#
# 48  PRO HD3 60 GLY HA2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 877, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 48  PRO HD3 61 PHE HN 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 882, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 48  PRO HD3 61 PHE QD 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 890, 898,
 &end
#
# 48  PRO HG2 59 TYR QE 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 864, 869,
 &end
#
# 48  PRO HG2 61 PHE QE 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 892, 896,
 &end
#
# 48  PRO HG3 59 TYR QE 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 864, 869,
 &end
#
# 48  PRO HG3 61 PHE QE 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 892, 896,
 &end
#
# 48  PRO QB 59 TYR QE 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 694, 695,
 igr2= 864, 869,
 &end
#
# 48  PRO QG 59 TYR QE 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 691, 692,
 igr2= 864, 869,
 &end
#
# 49 LYS+ HA 49 LYS+ HD2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 49 LYS+ HA 49 LYS+ HD3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 712, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 49 LYS+ HA 49 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS+ HA 49 LYS+ HE3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 LYS+ HA 49 LYS+ QG 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 708, 709,
 &end
#
# 49 LYS+ HA 50 ASP- HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 727, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 49 LYS+ HA 50 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 49 LYS+ HA 56 HIS  HA 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 815, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 49 LYS+ HA 56 HIS  HB2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 817, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 49 LYS+ HA 56 HIS  HB3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 818, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 49 LYS+ HA 57 GLN HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 830, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 49 LYS+ HD2 56 HIS  HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 49 LYS+ HD3 56 HIS  HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 49 LYS+ HN 49 LYS+ HG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 708, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 49 LYS+ HN 49 LYS+ HG3 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 709, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 49 LYS+ HN 49 LYS+ QB 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 705, 706,
 &end
#
# 49 LYS+ HN 49 LYS+ QG 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 708, 709,
 &end
#
# 49 LYS+ QB 50 ASP- HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 54 GLY HA2 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 791, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 54 GLY HA3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QB 56 HIS  HA 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 705, 706,
 &end
#
# 49 LYS+ QD 56 HIS  HA 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 711, 712,
 &end
#
# 49 LYS+ QD 56 HIS  HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 711, 712,
 &end
#
# 50 ASP- HA 51 ARG+ HB3 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 50 ASP- HA 51 ARG+ HG2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 742, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 50 ASP- HA 52 VAL HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 759, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 50 ASP- HB2 53 THR HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 50 ASP- HB2 54 GLY HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 789, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 50 ASP- HB2 55 GLN HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 796, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 50 ASP- HB2 57 GLN HG2 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 837, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 50 ASP- HB2 57 GLN HG3 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 838, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 50 ASP- HB2 57 GLN QG 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 837, 838,
 &end
#
# 50 ASP- HB3 52 VAL HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 759, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 50 ASP- HB3 53 THR HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 775, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 50 ASP- HB3 53 THR QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 781, 782, 783,
 &end
#
# 50 ASP- HB3 54 GLY HN 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 789, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 50 ASP- HB3 55 GLN HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 796, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 50 ASP- HN 50 ASP- HB2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50 ASP- HN 50 ASP- HB3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 50 ASP- HN 55 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 796, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 50 ASP- HN 56 HIS  HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 815, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 50 ASP- HN 57 GLN HG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 837, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 50 ASP- HN 57 GLN HG3 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 838, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 51 ARG+ HA 51 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 ARG+ HA 51 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 ARG+ HA 51 ARG+ HG2 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 51 ARG+ HA 54 GLY HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 789, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 51 ARG+ HB2 51 ARG+ QD 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 745, 746,
 &end
#
# 51 ARG+ HB2 52 VAL HA 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 761, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 51 ARG+ HB2 52 VAL HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 51 ARG+ HB3 51 ARG+ QD 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
# 51 ARG+ HB3 52 VAL HN 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 51 ARG+ HG2 52 VAL HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 51 ARG+ HG3 52 VAL HA 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 761, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 51 ARG+ HG3 52 VAL HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 759, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 51 ARG+ HG3 52 VAL QQG 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 51 ARG+ HN 51 ARG+ HG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 51 ARG+ HN 52 VAL HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 51 ARG+ QD 52 VAL QQG 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 745, 746,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HA 52 VAL QQG 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HB 53 THR HA 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 52 VAL HB 53 THR HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 775, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 52 VAL HB 53 THR QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 781, 782, 783,
 &end
#
# 52 VAL HN 52 VAL HB 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 52 VAL HN 52 VAL QG1 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 765, 766, 767,
 &end
#
# 52 VAL HN 52 VAL QG2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 769, 770, 771,
 &end
#
# 52 VAL HN 52 VAL QQG 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL HN 53 THR HA 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 777, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 52 VAL HN 53 THR QG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 781, 782, 783,
 &end
#
# 52 VAL HN 54 GLY HA2 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 791, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 52 VAL HN 54 GLY HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 789, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 52 VAL QG1 53 THR HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 765, 766, 767,
 &end
#
# 52 VAL QG2 53 THR HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR HA 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR HN 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 775, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 765, 766, 767, 769, 770, 771,
 &end
#
# 52 VAL QQG 53 THR QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 765, 766, 767, 769, 770, 771,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HA 53 THR QG2 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HA 55 GLN HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 796, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 53 THR HB 54 GLY HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 789, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 53 THR HB 55 GLN HG2 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 53 THR HB 55 GLN HG3 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 804, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 53 THR HB 55 GLN HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 53 THR HB 55 GLN QB 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 800, 801,
 &end
#
# 53 THR HB 55 GLN QG 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 803, 804,
 &end
#
# 53 THR HG1 55 GLN HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 796, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 53 THR HN 53 THR HB 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 53 THR HN 53 THR HG1 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 53 THR HN 53 THR QG2 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 781, 782, 783,
 &end
#
# 53 THR HN 54 GLY HA2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 53 THR HN 54 GLY HA3 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 792, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 53 THR HN 54 GLY HN 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 789, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 53 THR HN 55 GLN HN 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 775, 796, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 53 THR QG2 53 THR HG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 54 GLY HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HG3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 781, 782, 783,
 &end
#
# 53 THR QG2 55 GLN HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 781, 782, 783,
 &end
#
# 54 GLY HN 55 GLN HN 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 796, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 55 GLN HA 55 GLN QG 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 803, 804,
 &end
#
# 55 GLN HA 56 HIS  HN 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 813, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 55 GLN HB2 56 HIS  HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 55 GLN HB3 56 HIS  HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 55 GLN HG2 56 HIS  HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 GLN HG3 56 HIS  HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 GLN HN 55 GLN HB2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 55 GLN HN 55 GLN HB3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 55 GLN HN 55 GLN HG2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 803, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 55 GLN HN 55 GLN HG3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 804, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 55 GLN HN 55 GLN QB 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 800, 801,
 &end
#
# 55 GLN HN 55 GLN QG 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 803, 804,
 &end
#
# 55 GLN HN 56 HIS  HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 55 GLN QB 56 HIS  HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 800, 801,
 &end
#
# 55 GLN QG 56 HIS  HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 803, 804,
 &end
#
# 56 HIS  HA 57 GLN QG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 837, 838,
 &end
#
# 56 HIS  HB2 57 GLN HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 56 HIS  HB3 57 GLN HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 56 HIS  HE1 58 GLY HA2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 849, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 56 HIS  HE1 58 GLY HA3 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 850, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 56 HIS  HN 56 HIS  HD2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 826, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 56 HIS  HN 56 HIS  QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 817, 818,
 &end
#
# 56 HIS  HN 57 GLN HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 830, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 57 GLN HA 57 GLN HG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 837, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 57 GLN HA 57 GLN HG3 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 838, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 57 GLN HA 57 GLN QG 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 837, 838,
 &end
#
# 57 GLN HB2 59 TYR HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 57 GLN HB2 59 TYR QD 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 862, 871,
 &end
#
# 57 GLN HB2 59 TYR QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 864, 869,
 &end
#
# 57 GLN HB3 59 TYR HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 57 GLN HB3 59 TYR QD 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 862, 871,
 &end
#
# 57 GLN HB3 59 TYR QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 864, 869,
 &end
#
# 57 GLN HN 57 GLN HG2 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 57 GLN HN 57 GLN HG3 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 57 GLN HN 57 GLN QG 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 837, 838,
 &end
#
# 57 GLN HN 59 TYR HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 57 GLN QB 59 TYR HN 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 834, 835,
 &end
#
# 57 GLN QB 59 TYR QE 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 834, 835,
 igr2= 864, 869,
 &end
#
# 59 TYR HA 59 TYR QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 862, 871,
 &end
#
# 59 TYR HA 60 GLY HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 875, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 59 TYR HB2 60 GLY HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 59 TYR HB3 60 GLY HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 59 TYR HN 59 TYR QD 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 862, 871,
 &end
#
# 59 TYR HN 59 TYR QE 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 864, 869,
 &end
#
# 59 TYR HN 60 GLY HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 875, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 59 TYR QB 60 GLY HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 858, 859,
 &end
#
# 59 TYR QD 60 GLY HA2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 862, 871,
 &end
#
# 59 TYR QD 60 GLY HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 862, 871,
 &end
#
# 59 TYR QD 61 PHE QE 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 862, 871,
 igr2= 892, 896,
 &end
#
# 59 TYR QE 61 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 864, 869,
 &end
#
# 59 TYR QE 61 PHE QD 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 864, 869,
 igr2= 890, 898,
 &end
#
# 59 TYR QE 61 PHE QE 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 864, 869,
 igr2= 892, 896,
 &end
#
# 60 GLY HA2 61 PHE HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 60 GLY HA2 61 PHE QD 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 890, 898,
 &end
#
# 60 GLY HA3 61 PHE HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 61 PHE HA 61 PHE QD 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 890, 898,
 &end
#
# 61 PHE HA 62 VAL HB 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 61 PHE HA 62 VAL HN 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 902, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 61 PHE HA 62 VAL QG2 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 912, 913, 914,
 &end
#
# 61 PHE HB2 62 VAL HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 61 PHE HB3 62 VAL HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 61 PHE HN 61 PHE HB2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 PHE HN 61 PHE HB3 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 887, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 PHE HN 61 PHE QB 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 886, 887,
 &end
#
# 61 PHE HN 61 PHE QD 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 890, 898,
 &end
#
# 61 PHE QD 62 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 890, 898,
 &end
#
# 61 PHE QD 62 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 890, 898,
 igr2= 912, 913, 914,
 &end
#
# 61 PHE QD 92 ALA QB 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 890, 898,
 igr2=1407,1408,1409,
 &end
#
# 61 PHE QE 92 ALA HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1405, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 892, 896,
 &end
#
# 61 PHE QE 92 ALA QB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 892, 896,
 igr2=1407,1408,1409,
 &end
#
# 62 VAL HA 62 VAL QG1 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 908, 909, 910,
 &end
#
# 62 VAL HA 62 VAL QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 912, 913, 914,
 &end
#
# 62 VAL HA 63 GLU- HB2 1.80 5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 922, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 62 VAL HA 63 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 VAL HA 63 GLU- HN 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 62 VAL HB 64 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 943, 947,
 &end
#
# 62 VAL HN 62 VAL HB 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 906, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 62 VAL HN 62 VAL QG2 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 912, 913, 914,
 &end
#
# 62 VAL QG1 63 GLU- HB3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 63 GLU- HN 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HA 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE HZ 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 908, 909, 910,
 &end
#
# 62 VAL QG1 64 PHE QD 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 908, 909, 910,
 igr2= 941, 949,
 &end
#
# 62 VAL QG1 64 PHE QE 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 908, 909, 910,
 igr2= 943, 947,
 &end
#
# 62 VAL QG1 73 ALA QB 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 908, 909, 910,
 igr2=1072,1073,1074,
 &end
#
# 62 VAL QG2 64 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 912, 913, 914,
 igr2= 941, 949,
 &end
#
# 63 GLU- HA 64 PHE HN 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 63 GLU- HB2 64 PHE HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 933, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 63 GLU- HB3 64 PHE HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 933, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 63 GLU- HG2 64 PHE HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 63 GLU- HG3 64 PHE HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 926, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 63 GLU- HN 63 GLU- HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 63 GLU- HN 63 GLU- HB3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 923, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 63 GLU- HN 63 GLU- HG2 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 63 GLU- HN 63 GLU- HG3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 926, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 63 GLU- HN 63 GLU- QG 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 925, 926,
 &end
#
# 63 GLU- HN 64 PHE HN 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 63 GLU- QG 64 PHE HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 925, 926,
 &end
#
# 63 GLU- QG 65 LEU HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 925, 926,
 &end
#
# 64 PHE HA 64 PHE QD 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 941, 949,
 &end
#
# 64 PHE HA 65 LEU HA 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 955, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 64 PHE HA 65 LEU HB2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 957, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 64 PHE HA 65 LEU HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 953, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 64 PHE HB2 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 PHE HB2 69 ASP- HB2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64 PHE HB2 69 ASP- HB3 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 64 PHE HB2 70 ALA HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 64 PHE HB3 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 PHE HB3 69 ASP- HB2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 64 PHE HB3 69 ASP- HB3 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 64 PHE HB3 70 ALA HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 938,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 64 PHE HN 64 PHE QB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 937, 938,
 &end
#
# 64 PHE HN 64 PHE QD 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 941, 949,
 &end
#
# 64 PHE HN 70 ALA QB 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE HZ 73 ALA QB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1072,1073,1074,
 &end
#
# 64 PHE QB 65 LEU HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 66 SER HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 69 ASP- HB2 1.80 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 70 ALA HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 937, 938,
 &end
#
# 64 PHE QB 70 ALA QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 937, 938,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE QD 65 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 66 SER HN 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 69 ASP- HB3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 70 ALA HA 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 941, 949,
 &end
#
# 64 PHE QD 70 ALA QB 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 941, 949,
 igr2=1029,1030,1031,
 &end
#
# 64 PHE QE 70 ALA HA 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 943, 947,
 &end
#
# 64 PHE QE 73 ALA QB 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 943, 947,
 igr2=1072,1073,1074,
 &end
#
# 65 LEU HA 65 LEU HG 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 65 LEU HA 65 LEU QD1 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HA 66 SER HN 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 65 LEU HB2 65 LEU QD1 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HB2 65 LEU QD2 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HB2 66 SER HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 65 LEU HB3 65 LEU QD1 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HB3 65 LEU QD2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HB3 66 SER HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 974, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 65 LEU HB3 66 SER HB2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 976, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 65 LEU HB3 66 SER HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 972, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 65 LEU HG 66 SER HB2 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 976, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 65 LEU HG 66 SER HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 65 LEU HN 65 LEU HB2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 65 LEU HN 65 LEU HB3 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 65 LEU HN 65 LEU HG 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 LEU HN 65 LEU QD1 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 962, 963, 964,
 &end
#
# 65 LEU HN 65 LEU QD2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 966, 967, 968,
 &end
#
# 65 LEU HN 66 SER HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 972, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 65 LEU HN 69 ASP- HB2 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1017, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 65 LEU HN 69 ASP- HB3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1018, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 65 LEU QD2 66 SER HB2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 966, 967, 968,
 &end
#
# 66 SER HA 67 GLU- HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 SER HA 67 GLU- HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 66 SER HA 67 GLU- HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 983, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 66 SER HA 68 GLU- HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 998, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 66 SER HB2 67 GLU- HN 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 983, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 66 SER HB2 67 GLU- QB 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 987, 988,
 &end
#
# 66 SER HB2 68 GLU- HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 66 SER HB2 68 GLU- QG 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1005,1006,
 &end
#
# 66 SER HB2 69 ASP- HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1013, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 66 SER HB3 67 GLU- HN 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 983, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 66 SER HB3 67 GLU- QB 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 987, 988,
 &end
#
# 66 SER HB3 68 GLU- HG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1005, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 66 SER HB3 68 GLU- HG3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 66 SER HB3 68 GLU- HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 998, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 66 SER HB3 69 ASP- HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1013, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 66 SER HN 66 SER HB2 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 66 SER HN 66 SER HB3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 977, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 66 SER HN 67 GLU- HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 66 SER HN 69 ASP- HB2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1017, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 66 SER HN 69 ASP- HB3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1018, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 66 SER HN 69 ASP- HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 972,1013, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 67 GLU- HA 67 GLU- HG2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 67 GLU- HA 67 GLU- HG3 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 985, 991, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 67 GLU- HA 67 GLU- QG 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 990, 991,
 &end
#
# 67 GLU- HA 70 ALA HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1025, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 67 GLU- HA 70 ALA QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HA 71 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 67 GLU- HB2 70 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 GLU- HB2 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HB3 70 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 GLU- HB3 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- HN 67 GLU- HB2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 987, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 67 GLU- HN 67 GLU- HB3 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 67 GLU- HN 67 GLU- HG2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 990, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 67 GLU- HN 67 GLU- HG3 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 991, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 67 GLU- HN 67 GLU- QB 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 987, 988,
 &end
#
# 67 GLU- HN 67 GLU- QG 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 990, 991,
 &end
#
# 67 GLU- HN 68 GLU- HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 983, 998, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 67 GLU- HN 68 GLU- QG 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1005,1006,
 &end
#
# 67 GLU- QB 68 GLU- HN 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1= 987, 988,
 &end
#
# 67 GLU- QG 70 ALA QB 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 990, 991,
 igr2=1029,1030,1031,
 &end
#
# 67 GLU- QG 91 LYS+ QE 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 990, 991,
 igr2=1394,1395,
 &end
#
# 68 GLU- HA 68 GLU- QG 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1005,1006,
 &end
#
# 68 GLU- HA 70 ALA HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1025, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 68 GLU- HA 71 ASP- HB2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1039, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 GLU- HA 71 ASP- HB3 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1040, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 68 GLU- HA 71 ASP- HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1035, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 68 GLU- HA 71 ASP- QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1039,1040,
 &end
#
# 68 GLU- HA 72 TYR HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1000,1047, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 68 GLU- HB2 69 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 68 GLU- HB3 69 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 68 GLU- HN 68 GLU- HB2 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1002, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 68 GLU- HN 68 GLU- HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 68 GLU- HN 68 GLU- HG2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1005, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 68 GLU- HN 68 GLU- HG3 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1006, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 68 GLU- HN 68 GLU- QB 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1002,1003,
 &end
#
# 68 GLU- HN 68 GLU- QG 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1005,1006,
 &end
#
# 68 GLU- HN 69 ASP- HN 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 68 GLU- HN 70 ALA HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1025, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 68 GLU- HN 71 ASP- HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1035, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 68 GLU- QB 69 ASP- HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1002,1003,
 &end
#
# 68 GLU- QB 70 ALA HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1002,1003,
 &end
#
# 69 ASP- HA 70 ALA HA 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1027, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 69 ASP- HA 72 TYR HB2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1051, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 69 ASP- HA 72 TYR HB3 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1052, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 69 ASP- HA 72 TYR HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 69 ASP- HA 73 ALA HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1015,1068, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 69 ASP- HB2 70 ALA HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1025, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 69 ASP- HB2 70 ALA QB 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1029,1030,1031,
 &end
#
# 69 ASP- HB3 70 ALA HN 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 69 ASP- HB3 70 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1029,1030,1031,
 &end
#
# 69 ASP- HN 69 ASP- HB2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 69 ASP- HN 69 ASP- HB3 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 69 ASP- HN 70 ALA HN 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 70 ALA HA 72 TYR HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1047, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 70 ALA HA 73 ALA HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1068, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 70 ALA HA 73 ALA QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1072,1073,1074,
 &end
#
# 70 ALA HA 74 ILE HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 70 ALA HN 70 ALA QB 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1029,1030,1031,
 &end
#
# 70 ALA HN 71 ASP- HN 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 70 ALA HN 72 TYR HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1047, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 70 ALA HN 73 ALA HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 70 ALA HN 74 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1091,1092,1093,
 &end
#
# 70 ALA QB 71 ASP- HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 71 ASP- QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1029,1030,1031,
 igr2=1039,1040,
 &end
#
# 70 ALA QB 72 TYR HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 74 ILE QD1 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1029,1030,1031,
 igr2=1091,1092,1093,
 &end
#
# 70 ALA QB 91 LYS+ HD2 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 91 LYS+ HD3 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1029,1030,1031,
 &end
#
# 70 ALA QB 91 LYS+ QD 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,1031,
 igr2=1391,1392,
 &end
#
# 70 ALA QB 91 LYS+ QE 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1029,1030,1031,
 igr2=1394,1395,
 &end
#
# 71 ASP- HA 73 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1072,1073,1074,
 &end
#
# 71 ASP- HA 74 ILE HB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71 ASP- HA 74 ILE HG12 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1088, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 71 ASP- HA 74 ILE HN 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1078, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 71 ASP- HA 74 ILE QD1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1091,1092,1093,
 &end
#
# 71 ASP- HA 74 ILE QG2 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1084,1085,1086,
 &end
#
# 71 ASP- HA 91 LYS+ QE 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1394,1395,
 &end
#
# 71 ASP- HB2 72 TYR HN 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1039,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 71 ASP- HB3 72 TYR HN 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 71 ASP- HN 71 ASP- HB2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 71 ASP- HN 71 ASP- HB3 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 71 ASP- HN 71 ASP- QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1039,1040,
 &end
#
# 71 ASP- HN 72 TYR HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 71 ASP- QB 72 TYR HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1039,1040,
 &end
#
# 71 ASP- QB 74 ILE HB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1039,1040,
 &end
#
# 71 ASP- QB 74 ILE QD1 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1039,1040,
 igr2=1091,1092,1093,
 &end
#
# 72 TYR HA 72 TYR QD 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1055,1064,
 &end
#
# 72 TYR HA 72 TYR QE 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1057,1062,
 &end
#
# 72 TYR HA 73 ALA HA 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1070, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 72 TYR HA 73 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HA 75 LYS+ HB2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1101, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 72 TYR HA 75 LYS+ HB3 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1102, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 72 TYR HA 75 LYS+ HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1097, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 72 TYR HA 75 LYS+ QD 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1107,1108,
 &end
#
# 72 TYR HA 75 LYS+ QG 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1104,1105,
 &end
#
# 72 TYR HA 76 ILE QG2 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1125,1126,1127,
 &end
#
# 72 TYR HB2 73 ALA HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 72 TYR HB3 73 ALA HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1052,1068, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 72 TYR HB3 73 ALA QB 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HN 72 TYR HB2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 72 TYR HN 72 TYR HB3 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 72 TYR HN 72 TYR QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1055,1064,
 &end
#
# 72 TYR HN 73 ALA HN 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1068, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 72 TYR HN 73 ALA QB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1072,1073,1074,
 &end
#
# 72 TYR HN 74 ILE HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR HN 74 ILE HG13 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR HN 75 LYS+ HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 TYR QD 73 ALA HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 73 ALA HN 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 75 LYS+ HB3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1055,1064,
 &end
#
# 72 TYR QD 75 LYS+ QD 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1055,1064,
 igr2=1107,1108,
 &end
#
# 72 TYR QD 76 ILE QD1 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1055,1064,
 igr2=1132,1133,1134,
 &end
#
# 72 TYR QD 76 ILE QG2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1055,1064,
 igr2=1125,1126,1127,
 &end
#
# 72 TYR QE 76 ILE HG12 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1057,1062,
 &end
#
# 72 TYR QE 76 ILE HG13 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1057,1062,
 &end
#
# 72 TYR QE 76 ILE QD1 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1057,1062,
 igr2=1132,1133,1134,
 &end
#
# 72 TYR QE 76 ILE QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1057,1062,
 igr2=1125,1126,1127,
 &end
#
# 73 ALA HA 75 LYS+ HN 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1097, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 73 ALA HA 76 ILE HB 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1123, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 73 ALA HA 76 ILE HG12 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1129, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 73 ALA HA 76 ILE HG13 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1130, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 73 ALA HA 76 ILE HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1119, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 73 ALA HA 76 ILE QD1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1132,1133,1134,
 &end
#
# 73 ALA HA 76 ILE QG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1125,1126,1127,
 &end
#
# 73 ALA HA 77 MET HG2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1145, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 73 ALA HA 77 MET HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1146, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 73 ALA HA 77 MET HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1138, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 73 ALA HN 73 ALA QB 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1072,1073,1074,
 &end
#
# 73 ALA HN 74 ILE HG13 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1089, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 73 ALA HN 74 ILE HN 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1078, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 73 ALA HN 74 ILE QD1 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1091,1092,1093,
 &end
#
# 73 ALA QB 74 ILE HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HG12 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HG13 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 74 ILE HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 76 ILE HG12 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 76 ILE QD1 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1072,1073,1074,
 igr2=1132,1133,1134,
 &end
#
# 73 ALA QB 77 MET HB3 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 77 MET HG2 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 77 MET HG3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1072,1073,1074,
 &end
#
# 73 ALA QB 89 VAL QG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1072,1073,1074,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HA 74 ILE HG12 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 74 ILE HA 74 ILE HG13 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 74 ILE HA 74 ILE QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HA 74 ILE QG2 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2=1084,1085,1086,
 &end
#
# 74 ILE HA 77 MET HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1138, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 74 ILE HA 78 ASP- HA 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1157, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 74 ILE HA 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 ILE HA 78 ASP- QB 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1159,1160,
 &end
#
# 74 ILE HA 89 VAL HB 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1355, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 74 ILE HA 89 VAL HN 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1351, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 74 ILE HA 89 VAL QG1 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HA 89 VAL QG2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1361,1362,1363,
 &end
#
# 74 ILE HB 74 ILE QD1 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HB 75 LYS+ HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1097, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 74 ILE HB 90 ASN HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 74 ILE HG12 89 VAL HB 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1355, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 74 ILE HG12 89 VAL QG1 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE HG12 90 ASN HA 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1369, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 74 ILE HG12 91 LYS+ HA 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1383, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 74 ILE HG13 75 LYS+ HN 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 74 ILE HG13 90 ASN HA 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 74 ILE HN 74 ILE HB 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 74 ILE HN 74 ILE HG12 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 74 ILE HN 74 ILE HG13 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 74 ILE HN 74 ILE QD1 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1091,1092,1093,
 &end
#
# 74 ILE HN 74 ILE QG2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1084,1085,1086,
 &end
#
# 74 ILE HN 75 LYS+ HN 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 74 ILE HN 89 VAL QG1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1357,1358,1359,
 &end
#
# 74 ILE QD1 75 LYS+ HN 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 90 ASN HA 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 90 ASN QB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1091,1092,1093,
 igr2=1371,1372,
 &end
#
# 74 ILE QD1 91 LYS+ HA 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HD2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HD3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HE2 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1394, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HE3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HG2 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HG3 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QD1 91 LYS+ QD 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1091,1092,1093,
 igr2=1391,1392,
 &end
#
# 74 ILE QD1 91 LYS+ QE 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1091,1092,1093,
 igr2=1394,1395,
 &end
#
# 74 ILE QD1 92 ALA HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1091,1092,1093,
 &end
#
# 74 ILE QG2 75 LYS+ HA 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 75 LYS+ HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HB2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 78 ASP- HB3 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 89 VAL HB 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HA 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HB2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN HB3 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1372, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 90 ASN QB 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1084,1085,1086,
 igr2=1371,1372,
 &end
#
# 74 ILE QG2 91 LYS+ HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1084,1085,1086,
 &end
#
# 74 ILE QG2 91 LYS+ QD 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1084,1085,1086,
 igr2=1391,1392,
 &end
#
# 75 LYS+ HA 75 LYS+ HD2 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1107, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 75 LYS+ HA 75 LYS+ HD3 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1108, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 75 LYS+ HA 75 LYS+ HG2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 75 LYS+ HA 75 LYS+ HG3 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1105, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 75 LYS+ HA 75 LYS+ QD 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1107,1108,
 &end
#
# 75 LYS+ HA 75 LYS+ QG 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1104,1105,
 &end
#
# 75 LYS+ HA 76 ILE HA 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1121, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 75 LYS+ HA 76 ILE QG2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB2 75 LYS+ QD 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1107,1108,
 &end
#
# 75 LYS+ HB2 76 ILE HN 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1119, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 75 LYS+ HB2 76 ILE QG2 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB3 76 ILE HA 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 75 LYS+ HB3 76 ILE HG12 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1129, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 75 LYS+ HB3 76 ILE HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 75 LYS+ HB3 76 ILE QG2 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HB3 77 MET HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1138, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 75 LYS+ HD2 76 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HD3 76 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HG2 76 ILE HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 75 LYS+ HG3 76 ILE HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1105,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 75 LYS+ HN 75 LYS+ HB2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 75 LYS+ HN 75 LYS+ HB3 1.80 2.79
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1102, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 75 LYS+ HN 75 LYS+ HG2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 75 LYS+ HN 75 LYS+ HG3 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 75 LYS+ HN 76 ILE HG12 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1129, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 75 LYS+ HN 76 ILE HN 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1119, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 75 LYS+ HN 76 ILE QG2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1125,1126,1127,
 &end
#
# 75 LYS+ HN 77 MET HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1138, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 75 LYS+ HN 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 LYS+ QG 76 ILE HA 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1121, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1104,1105,
 &end
#
# 75 LYS+ QG 76 ILE HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1104,1105,
 &end
#
# 75 LYS+ QG 76 ILE QG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1104,1105,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HA 76 ILE HG12 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 76 ILE HA 76 ILE HG13 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1130, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 76 ILE HA 76 ILE QD1 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HA 76 ILE QG2 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HA 78 ASP- HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1121,1155, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 76 ILE HB 76 ILE QD1 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HB 77 MET HG3 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1146, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 76 ILE HB 77 MET HN 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 76 ILE HG12 77 MET HG2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1145, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 76 ILE HG12 77 MET HG3 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1146, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 76 ILE HG12 77 MET HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1138, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 76 ILE HG13 77 MET HG2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 76 ILE HG13 77 MET HG3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1146, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 76 ILE HG13 77 MET HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 76 ILE HN 76 ILE HB 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 76 ILE HN 76 ILE HG12 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1129, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 76 ILE HN 76 ILE HG13 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1130, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 76 ILE HN 76 ILE QD1 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1132,1133,1134,
 &end
#
# 76 ILE HN 76 ILE QG2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1125,1126,1127,
 &end
#
# 76 ILE HN 77 MET HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 76 ILE HN 78 ASP- HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1155, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 76 ILE QD1 77 MET HG2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET HG3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1132,1133,1134,
 &end
#
# 76 ILE QD1 77 MET QE 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1132,1133,1134,
 igr2=1149,1150,1151,
 &end
#
# 76 ILE QG2 76 ILE HG12 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 76 ILE HG13 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 77 MET HG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1125,1126,1127,
 &end
#
# 76 ILE QG2 77 MET HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1125,1126,1127,
 &end
#
# 77 MET HB2 80 ILE QD1 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HB2 87 ILE QD1 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1321,1322,1323,
 &end
#
# 77 MET HB2 89 VAL QG1 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HB2 89 VAL QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HB3 77 MET QE 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HB3 80 ILE QD1 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HB3 89 VAL QG1 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HB3 89 VAL QG2 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HG2 77 MET QE 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HG2 78 ASP- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 MET HG2 80 ILE QD1 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1197,1198,1199,
 &end
#
# 77 MET HG2 89 VAL QG2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1361,1362,1363,
 &end
#
# 77 MET HG3 77 MET QE 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1149,1150,1151,
 &end
#
# 77 MET HN 77 MET HB2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 77 MET HN 77 MET HB3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1143, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 MET HN 77 MET HG2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 77 MET HN 77 MET HG3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1146, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 77 MET HN 78 ASP- HN 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 77 MET HN 78 ASP- QB 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1159,1160,
 &end
#
# 77 MET HN 89 VAL QG1 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1357,1358,1359,
 &end
#
# 77 MET HN 89 VAL QG2 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HA 79 MET HN 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1167, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 78 ASP- HA 80 ILE HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1184, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 78 ASP- HA 80 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1197,1198,1199,
 &end
#
# 78 ASP- HA 88 ARG+ HA 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1329, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 78 ASP- HA 89 VAL HB 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1355, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 78 ASP- HA 89 VAL HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 78 ASP- HA 89 VAL QG1 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HA 89 VAL QG2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HB2 89 VAL HB 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 78 ASP- HB2 89 VAL HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 78 ASP- HB2 89 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HB2 89 VAL QG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HB3 89 VAL HB 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 78 ASP- HB3 89 VAL HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 78 ASP- HB3 89 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- HB3 89 VAL QG2 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- HN 78 ASP- HB2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 78 ASP- HN 78 ASP- HB3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 78 ASP- HN 78 ASP- QB 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1159,1160,
 &end
#
# 78 ASP- HN 79 MET HN 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1167, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 78 ASP- HN 80 ILE HB 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1188, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 78 ASP- HN 80 ILE HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1184, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 78 ASP- HN 80 ILE QD1 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1197,1198,1199,
 &end
#
# 78 ASP- HN 80 ILE QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
# 78 ASP- HN 89 VAL HB 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1355, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 78 ASP- HN 89 VAL QG2 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1361,1362,1363,
 &end
#
# 78 ASP- QB 89 VAL HB 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1159,1160,
 &end
#
# 78 ASP- QB 89 VAL HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1159,1160,
 &end
#
# 78 ASP- QB 89 VAL QG1 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1159,1160,
 igr2=1357,1358,1359,
 &end
#
# 78 ASP- QB 89 VAL QG2 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1159,1160,
 igr2=1361,1362,1363,
 &end
#
# 79 MET HA 79 MET HG2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 MET HA 79 MET HG3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 MET HA 79 MET QE 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HA 79 MET QG 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1174,1175,
 &end
#
# 79 MET HA 86  PRO HB2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1301, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 79 MET HA 86  PRO HB3 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1302, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 79 MET HA 87 ILE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HA 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HA 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1169,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HB2 79 MET QE 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HB3 79 MET QE 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HG2 79 MET QE 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1174,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HG3 79 MET QE 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HN 79 MET QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1178,1179,1180,
 &end
#
# 79 MET HN 79 MET QG 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1174,1175,
 &end
#
# 79 MET HN 80 ILE HB 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1188, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 79 MET HN 80 ILE HN 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1184, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 79 MET HN 88 ARG+ HA 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1329, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 79 MET HN 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HN 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 MET HN 88 ARG+ QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1331,1332,
 &end
#
# 79 MET HN 89 VAL HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1351, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 79 MET HN 89 VAL QG2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1167,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1361,1362,1363,
 &end
#
# 79 MET QB 79 MET QE 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1171,1172,
 igr2=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ HD2 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ HD3 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1178,1179,1180,
 &end
#
# 79 MET QE 88 ARG+ QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=1178,1179,1180,
 igr2=1337,1338,
 &end
#
# 79 MET QG 79 MET QE 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1174,1175,
 igr2=1178,1179,1180,
 &end
#
# 79 MET QG 88 ARG+ QD 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1174,1175,
 igr2=1337,1338,
 &end
#
# 80 ILE HA 80 ILE HG12 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1194, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 80 ILE HA 80 ILE HG13 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 80 ILE HA 80 ILE QD1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HA 80 ILE QG2 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1190,1191,1192,
 &end
#
# 80 ILE HA 81 LYS+ HB2 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1207, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 80 ILE HA 81 LYS+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 80 ILE HA 87 ILE QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1321,1322,1323,
 &end
#
# 80 ILE HB 80 ILE QD1 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HB 81 LYS+ HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 80 ILE HG12 81 LYS+ HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1194,1203, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 80 ILE HG13 81 LYS+ HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 80 ILE HN 80 ILE HB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 80 ILE HN 80 ILE HG12 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 80 ILE HN 80 ILE HG13 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1195, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 80 ILE HN 80 ILE QD1 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1197,1198,1199,
 &end
#
# 80 ILE HN 80 ILE QG2 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1190,1191,1192,
 &end
#
# 80 ILE HN 81 LYS+ HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1203, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 80 ILE HN 87 ILE HG12 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1318, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 80 ILE HN 87 ILE HG13 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1319, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 80 ILE HN 87 ILE HN 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 80 ILE HN 87 ILE QD1 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1321,1322,1323,
 &end
#
# 80 ILE HN 89 VAL QG2 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1361,1362,1363,
 &end
#
# 80 ILE QD1 81 LYS+ HN 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1197,1198,1199,
 &end
#
# 80 ILE QG2 80 ILE HG13 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 81 LYS+ HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 81 LYS+ HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 82 LEU HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1190,1191,1192,
 &end
#
# 80 ILE QG2 87 ILE HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1190,1191,1192,
 &end
#
# 81 LYS+ HA 81 LYS+ HE2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1216, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 81 LYS+ HA 81 LYS+ HG2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 81 LYS+ HA 81 LYS+ HG3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 81 LYS+ HA 82 LEU HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1225, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 81 LYS+ HA 85 LYS+ HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1272, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 81 LYS+ HA 86  PRO HB3 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1302, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 81 LYS+ HA 87 ILE HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1308, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 81 LYS+ HB2 81 LYS+ HD3 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 81 LYS+ HB2 81 LYS+ HE2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1216, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 81 LYS+ HB2 82 LEU HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 81 LYS+ HB2 84 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HB3 81 LYS+ HD3 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1214, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 81 LYS+ HB3 81 LYS+ HE2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 81 LYS+ HB3 82 LEU HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1225, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 81 LYS+ HB3 84 GLY HA2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1267, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 81 LYS+ HB3 84 GLY HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1265, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 81 LYS+ HB3 85 LYS+ HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 81 LYS+ HD3 84 GLY HA2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1267, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 81 LYS+ HD3 86  PRO HD3 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1214,1296, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 81 LYS+ HE2 84 GLY HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1265, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 81 LYS+ HE2 86  PRO HB3 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1302, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 81 LYS+ HE2 86  PRO HD2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1295, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 81 LYS+ HE2 86  PRO HD3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 81 LYS+ HE3 86  PRO HB3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1302, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 81 LYS+ HE3 86  PRO HD2 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1295, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 81 LYS+ HE3 86  PRO HD3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1296, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 81 LYS+ HG2 81 LYS+ HE2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1216, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 81 LYS+ HG2 81 LYS+ HE3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 81 LYS+ HG2 85 LYS+ HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1272, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 81 LYS+ HG2 86  PRO HA 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1304, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 81 LYS+ HG2 86  PRO HB3 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1302, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 81 LYS+ HG2 86  PRO HD2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1295, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 81 LYS+ HG2 86  PRO HD3 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1296, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 81 LYS+ HG3 81 LYS+ HE2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 81 LYS+ HG3 86  PRO HA 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1304, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 81 LYS+ HG3 86  PRO HB3 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 81 LYS+ HN 81 LYS+ HB2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 81 LYS+ HN 81 LYS+ HB3 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 81 LYS+ HN 81 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 LYS+ HN 81 LYS+ HG3 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 81 LYS+ HN 82 LEU HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 81 LYS+ HN 82 LEU HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1225, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 82 LEU HA 82 LEU QD1 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HA 82 LEU QD2 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB2 82 LEU QD1 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HB2 82 LEU QD2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB2 87 ILE QG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU HB3 82 LEU QD2 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HB3 87 ILE QG2 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU HG 83 TYR QD 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1252,1261,
 &end
#
# 82 LEU HN 82 LEU HB2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 82 LEU HN 82 LEU HB3 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1230, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 82 LEU HN 82 LEU HG 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 82 LEU HN 82 LEU QD1 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1234,1235,1236,
 &end
#
# 82 LEU HN 82 LEU QD2 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1238,1239,1240,
 &end
#
# 82 LEU HN 85 LYS+ HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 82 LEU HN 86  PRO HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1304, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 82 LEU HN 87 ILE HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1308, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 82 LEU HN 87 ILE QG2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1314,1315,1316,
 &end
#
# 82 LEU QD1 83 TYR HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1234,1235,1236,
 &end
#
# 82 LEU QD1 83 TYR QD 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1234,1235,1236,
 igr2=1252,1261,
 &end
#
# 82 LEU QD1 83 TYR QE 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1234,1235,1236,
 igr2=1254,1259,
 &end
#
# 82 LEU QD2 83 TYR QD 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1238,1239,1240,
 igr2=1252,1261,
 &end
#
# 82 LEU QD2 83 TYR QE 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1238,1239,1240,
 igr2=1254,1259,
 &end
#
# 83 TYR HN 84 GLY HN 3.20 100.0
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1265, r1= 2.70, r2= 3.20, r3=100.00, r4=100.50,  &end
#
# 83 TYR HN 85 LYS HN 5.00 100.0
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1272, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50,  &end
#
# 83 TYR HA 83 TYR QD 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1252,1261,
 &end
#
# 84 GLY HN 85 LYS+ HN 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1272, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 85 LYS+ HA 85 LYS+ HG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 85 LYS+ HA 85 LYS+ HG3 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1280, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 85 LYS+ HA 85 LYS+ QG 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1279,1280,
 &end
#
# 85 LYS+ HA 86  PRO HD2 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1295, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 85 LYS+ HA 86  PRO HD3 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 85 LYS+ HA 86  PRO QG 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1298,1299,
 &end
#
# 85 LYS+ HB2 86  PRO HD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 85 LYS+ HB3 86  PRO HD2 1.80 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 85 LYS+ HG2 86  PRO HD2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 85 LYS+ HG3 86  PRO HD2 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 85 LYS+ HN 85 LYS+ HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 85 LYS+ HN 85 LYS+ HB3 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 85 LYS+ HN 85 LYS+ HG2 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1279, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 85 LYS+ HN 85 LYS+ HG3 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 85 LYS+ HN 85 LYS+ QB 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1276,1277,
 &end
#
# 85 LYS+ HN 85 LYS+ QG 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1279,1280,
 &end
#
# 85 LYS+ HN 86  PRO HD2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1295, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 85 LYS+ HN 86  PRO HD3 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 85 LYS+ QB 85 LYS+ QE 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1276,1277,
 igr2=1285,1286,
 &end
#
# 85 LYS+ QB 86  PRO HD2 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1276,1277,
 &end
#
# 85 LYS+ QG 86  PRO HD2 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1279,1280,
 &end
#
# 85 LYS+ QG 86  PRO HD3 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1279,1280,
 &end
#
# 86  PRO HA 87 ILE HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1308, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 86  PRO HA 87 ILE QG2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1314,1315,1316,
 &end
#
# 86  PRO HB2 87 ILE HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1308, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 86  PRO HB3 86  PRO QG 1.80 2.53
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
 igr2=1298,1299,
 &end
#
# 86  PRO HB3 87 ILE HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1308, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 86  PRO HD2 86  PRO HB2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1301, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 86  PRO HD2 86  PRO HB3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 86  PRO HD2 86  PRO HG2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1298, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 86  PRO HD2 86  PRO HG3 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 86  PRO HD2 86  PRO QG 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1298,1299,
 &end
#
# 86  PRO HD3 86  PRO HB3 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1302, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 86  PRO HD3 86  PRO QG 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1298,1299,
 &end
#
# 87 ILE HA 87 ILE QD1 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HA 87 ILE QG2 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1314,1315,1316,
 &end
#
# 87 ILE HA 88 ARG+ HN 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 87 ILE HB 87 ILE QD1 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HB 88 ARG+ HN 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1327, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 87 ILE HB 89 VAL QG2 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HG12 89 VAL QG2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HG13 89 VAL QG2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE HN 87 ILE HB 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 87 ILE HN 87 ILE HG12 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 87 ILE HN 87 ILE HG13 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1319, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 87 ILE HN 87 ILE QD1 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE HN 87 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1308,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1314,1315,1316,
 &end
#
# 87 ILE HN 88 ARG+ HN 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1308,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 87 ILE QD1 88 ARG+ HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1321,1322,1323,
 &end
#
# 87 ILE QD1 89 VAL HB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1321,1322,1323,
 &end
#
# 87 ILE QD1 89 VAL QG2 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1321,1322,1323,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE QG1 88 ARG+ HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1318,1319,
 &end
#
# 87 ILE QG1 89 VAL QG2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1318,1319,
 igr2=1361,1362,1363,
 &end
#
# 87 ILE QG2 87 ILE QD1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1314,1315,1316,
 igr2=1321,1322,1323,
 &end
#
# 87 ILE QG2 87 ILE QG1 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1314,1315,1316,
 igr2=1318,1319,
 &end
#
# 87 ILE QG2 88 ARG+ HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1314,1315,1316,
 &end
#
# 88 ARG+ HA 88 ARG+ HD2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 88 ARG+ HA 88 ARG+ HD3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1338, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 88 ARG+ HA 88 ARG+ QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1337,1338,
 &end
#
# 88 ARG+ HA 89 VAL HN 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1351, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 88 ARG+ HA 89 VAL QG2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1361,1362,1363,
 &end
#
# 88 ARG+ HB2 89 VAL HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 88 ARG+ HB3 89 VAL HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1332,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 88 ARG+ HD2 89 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1337,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HD3 89 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1338,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 ARG+ HN 88 ARG+ HG2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 ARG+ HN 88 ARG+ HG3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 ARG+ HN 88 ARG+ QB 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1331,1332,
 &end
#
# 88 ARG+ HN 88 ARG+ QG 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1334,1335,
 &end
#
# 88 ARG+ HN 89 VAL HN 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 88 ARG+ HN 89 VAL QG2 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1361,1362,1363,
 &end
#
# 88 ARG+ QB 89 VAL HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1331,1332,
 &end
#
# 88 ARG+ QG 89 VAL HN 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1334,1335,
 &end
#
# 89 VAL HA 89 VAL QG1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1357,1358,1359,
 &end
#
# 89 VAL HA 89 VAL QG2 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1361,1362,1363,
 &end
#
# 89 VAL HA 90 ASN HN 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 89 VAL HB 90 ASN HA 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 89 VAL HB 90 ASN HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 89 VAL HN 89 VAL HB 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 89 VAL HN 89 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1357,1358,1359,
 &end
#
# 89 VAL HN 89 VAL QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
# 89 VAL HN 90 ASN HN 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 89 VAL QG1 90 ASN HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1357,1358,1359,
 &end
#
# 89 VAL QG1 91 LYS+ HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1357,1358,1359,
 &end
#
# 89 VAL QG2 90 ASN HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1361,1362,1363,
 &end
#
# 90 ASN HA 91 LYS+ HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ASN HA 91 LYS+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 90 ASN HA 91 LYS+ HN 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1381, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 90 ASN HB2 91 LYS+ HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 90 ASN HB2 94 ALA QB 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1428,1429,1430,
 &end
#
# 90 ASN HB3 91 LYS+ HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 90 ASN HB3 94 ALA QB 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1428,1429,1430,
 &end
#
# 90 ASN QB 91 LYS+ HN 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1371,1372,
 &end
#
# 90 ASN QB 94 ALA QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1371,1372,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HA 91 LYS+ HD2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1391, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 91 LYS+ HA 91 LYS+ HD3 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 91 LYS+ HA 91 LYS+ HG2 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 91 LYS+ HA 91 LYS+ QD 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1391,1392,
 &end
#
# 91 LYS+ HA 91 LYS+ QE 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1394,1395,
 &end
#
# 91 LYS+ HA 92 ALA HN 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1403, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 91 LYS+ HB2 92 ALA HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 91 LYS+ HB2 94 ALA QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HB3 92 ALA HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 91 LYS+ HB3 94 ALA QB 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HG2 92 ALA HN 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1403, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 91 LYS+ HG3 94 ALA QB 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ HN 91 LYS+ HB2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 91 LYS+ HN 91 LYS+ HB3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 91 LYS+ HN 91 LYS+ HD2 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 91 LYS+ HN 91 LYS+ HD3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 91 LYS+ HN 91 LYS+ HG2 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 91 LYS+ HN 91 LYS+ HG3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1389, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 91 LYS+ HN 91 LYS+ QB 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1385,1386,
 &end
#
# 91 LYS+ HN 91 LYS+ QD 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1391,1392,
 &end
#
# 91 LYS+ HN 92 ALA HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1403, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 91 LYS+ HN 94 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ QB 91 LYS+ QE 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1385,1386,
 igr2=1394,1395,
 &end
#
# 91 LYS+ QB 92 ALA HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1385,1386,
 &end
#
# 91 LYS+ QB 94 ALA QB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1385,1386,
 igr2=1428,1429,1430,
 &end
#
# 91 LYS+ QD 92 ALA HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1391,1392,
 &end
#
# 92 ALA HN 92 ALA QB 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1407,1408,1409,
 &end
#
# 92 ALA QB 93 SER HA 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1407,1408,1409,
 &end
#
# 92 ALA QB 93 SER HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1407,1408,1409,
 &end
#
# 93 SER HN 93 SER QB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1417,1418,
 &end
#
# 94 ALA HN 94 ALA QB 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1428,1429,1430,
 &end
#
# 94 ALA QB 95 HIS  HA 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1428,1429,1430,
 &end
#
# 94 ALA QB 95 HIS  HD2 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1428,1429,1430,
 &end
#
# 95 HIS  HA 95 HIS  HD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1447, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 99 LEU HA 99 LEU HG 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1508, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 99 LEU HA 99 LEU QQD 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
# 1580 atoms read from pdb file leap.pdb.
# 17 THR PHI:  (16 ALA C)-(17 THR N)-(17 THR CA)-(17 THR C) -144.0 -84.0
 &rst     iat =   202,   204,   206,   216,
	  r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
	  rk2 = 60.0, rk3 = 60.0,				&end
# 17 THR PSI:  (17 THR N)-(17 THR CA)-(17 THR C)-(18 VAL N) 104.0 164.0
 &rst     iat =   204,   206,   216,   218,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end
# 18 VAL CHI1:  (18 VAL N)-(18 VAL CA)-(18 VAL CB)-(18 VAL CG1) -80.0 -40.0
 &rst     iat =   218,   220,   222,   224,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 18 VAL PHI:  (17 THR C)-(18 VAL N)-(18 VAL CA)-(18 VAL C) -149.0 -89.0
 &rst     iat =   216,   218,   220,   232,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end
# 18 VAL PSI:  (18 VAL N)-(18 VAL CA)-(18 VAL C)-(19 TYR N) 112.0 172.0
 &rst     iat =   218,   220,   232,   234,
	  r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
	&end
# 19 TYR PHI:  (18 VAL C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -156.0 -96.0
 &rst     iat =   232,   234,   236,   253,
	  r1 = -157.0, r2 = -156.0, r3 = -96.0, r4 = -95.0,
	&end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 VAL N) 103.0 163.0
 &rst     iat =   234,   236,   253,   255,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end
# 20 VAL CHI1:  (20 VAL N)-(20 VAL CA)-(20 VAL CB)-(20 VAL CG1) -200.0 -160.0
 &rst     iat =   255,   257,   259,   261,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 20 VAL PHI:  (19 TYR C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -147.0 -87.0
 &rst     iat =   253,   255,   257,   269,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end
# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 GLY N) 104.0 164.0
 &rst     iat =   255,   257,   269,   271,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end
# 23 LEU CHI1:  (23 LEU N)-(23 LEU CA)-(23 LEU CB)-(23 LEU CG) -80.0 -40.0
 &rst     iat =   285,   287,   289,   292,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 23 LEU CHI2:  (23 LEU CA)-(23 LEU CB)-(23 LEU CG)-(23 LEU CD1) -200.0 -160.0
 &rst     iat =   287,   289,   292,   294,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 27 VAL CHI1:  (27 VAL N)-(27 VAL CA)-(27 VAL CB)-(27 VAL CG1) -200.0 -160.0
 &rst     iat =   353,   355,   357,   359,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 29 GLU PHI:  (28 SER C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -91.0 -31.0
 &rst     iat =   378,   380,   382,   393,
	  r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
	&end
# 29 GLU PSI:  (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 PRO N) -68.0  -8.0
 &rst     iat =   380,   382,   393,   395,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) -200.0 -160.0
 &rst     iat =   409,   411,   413,   416,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 31 LEU CHI2:  (31 LEU CA)-(31 LEU CB)-(31 LEU CG)-(31 LEU CD1)  40.0  80.0
 &rst     iat =   411,   413,   416,   418,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 31 LEU PHI:  (30 PRO C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -93.0 -33.0
 &rst     iat =   407,   409,   411,   426,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end
# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 LEU N) -73.0 -13.0
 &rst     iat =   409,   411,   426,   428,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 32 LEU CHI1:  (32 LEU N)-(32 LEU CA)-(32 LEU CB)-(32 LEU CG) -80.0 -40.0
 &rst     iat =   428,   430,   432,   435,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 32 LEU CHI2:  (32 LEU CA)-(32 LEU CB)-(32 LEU CG)-(32 LEU CD1) -200.0 -160.0
 &rst     iat =   430,   432,   435,   437,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 32 LEU PHI:  (31 LEU C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -96.0 -36.0
 &rst     iat =   426,   428,   430,   445,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 TRP N) -68.0  -8.0
 &rst     iat =   428,   430,   445,   447,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 33 TRP PHI:  (32 LEU C)-(33 TRP N)-(33 TRP CA)-(33 TRP C) -92.0 -32.0
 &rst     iat =   445,   447,   449,   469,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 33 TRP PSI:  (33 TRP N)-(33 TRP CA)-(33 TRP C)-(34 GLU N) -73.0 -13.0
 &rst     iat =   447,   449,   469,   471,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 34 GLU PHI:  (33 TRP C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -92.0 -32.0
 &rst     iat =   469,   471,   473,   484,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 34 GLU PSI:  (34 GLU N)-(34 GLU CA)-(34 GLU C)-(35 LEU N) -70.0 -10.0
 &rst     iat =   471,   473,   484,   486,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 35 LEU CHI1:  (35 LEU N)-(35 LEU CA)-(35 LEU CB)-(35 LEU CG) -200.0 -160.0
 &rst     iat =   486,   488,   490,   493,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 35 LEU CHI2:  (35 LEU CA)-(35 LEU CB)-(35 LEU CG)-(35 LEU CD1)  40.0  80.0
 &rst     iat =   488,   490,   493,   495,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 35 LEU PHI:  (34 GLU C)-(35 LEU N)-(35 LEU CA)-(35 LEU C) -94.0 -34.0
 &rst     iat =   484,   486,   488,   503,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 35 LEU PSI:  (35 LEU N)-(35 LEU CA)-(35 LEU C)-(36 PHE N) -76.0 -16.0
 &rst     iat =   486,   488,   503,   505,
	  r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
	&end
# 36 PHE PHI:  (35 LEU C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -94.0 -34.0
 &rst     iat =   503,   505,   507,   523,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 LEU N) -71.0 -11.0
 &rst     iat =   505,   507,   523,   525,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end
# 37 LEU CHI1:  (37 LEU N)-(37 LEU CA)-(37 LEU CB)-(37 LEU CG) -80.0 -40.0
 &rst     iat =   525,   527,   529,   532,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 37 LEU CHI2:  (37 LEU CA)-(37 LEU CB)-(37 LEU CG)-(37 LEU CD1) -200.0 -160.0
 &rst     iat =   527,   529,   532,   534,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 37 LEU PHI:  (36 PHE C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -98.0 -38.0
 &rst     iat =   523,   525,   527,   542,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end
# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 GLN N) -68.0  -8.0
 &rst     iat =   525,   527,   542,   544,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end
# 42 VAL CHI1:  (42 VAL N)-(42 VAL CA)-(42 VAL CB)-(42 VAL CG1) -200.0 -160.0
 &rst     iat =   592,   594,   596,   598,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 43 VAL CHI1:  (43 VAL N)-(43 VAL CA)-(43 VAL CB)-(43 VAL CG1) -200.0 -160.0
 &rst     iat =   608,   610,   612,   614,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 44 ASN CHI1:  (44 ASN N)-(44 ASN CA)-(44 ASN CB)-(44 ASN CG) -200.0 -160.0
 &rst     iat =   624,   626,   628,   631,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 44 ASN PHI:  (43 VAL C)-(44 ASN N)-(44 ASN CA)-(44 ASN C) -160.0 -100.0
 &rst     iat =   622,   624,   626,   636,
	  r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
	&end
# 44 ASN PSI:  (44 ASN N)-(44 ASN CA)-(44 ASN C)-(45 THR N) 110.0 170.0
 &rst     iat =   624,   626,   636,   638,
	  r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
	&end
# 45 THR PHI:  (44 ASN C)-(45 THR N)-(45 THR CA)-(45 THR C) -148.0 -88.0
 &rst     iat =   636,   638,   640,   650,
	  r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
	&end
# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 HIE N) 115.0 175.0
 &rst     iat =   638,   640,   650,   652,
	  r1 = 114.0, r2 = 115.0, r3 = 175.0, r4 = 176.0,
	&end
# 46 HIS PHI:  (45 THR C)-(46 HIE N)-(46 HIE CA)-(46 HIE C) -142.0 -82.0
 &rst     iat =   650,   652,   654,   667,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end
# 46 HIS PSI:  (46 HIE N)-(46 HIE CA)-(46 HIE C)-(47 MET N)  96.0 156.0
 &rst     iat =   652,   654,   667,   669,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&end
# 47 MET PHI:  (46 HIE C)-(47 MET N)-(47 MET CA)-(47 MET C) -142.0 -82.0
 &rst     iat =   667,   669,   671,   684,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end
# 47 MET PSI:  (47 MET N)-(47 MET CA)-(47 MET C)-(48 PRO N) 103.0 163.0
 &rst     iat =   669,   671,   684,   686,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end
# 61 PHE PHI:  (60 GLY C)-(61 PHE N)-(61 PHE CA)-(61 PHE C) -160.0 -100.0
 &rst     iat =   879,   881,   883,   899,
	  r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
	&end
# 61 PHE PSI:  (61 PHE N)-(61 PHE CA)-(61 PHE C)-(62 VAL N) 119.0 179.0
 &rst     iat =   881,   883,   899,   901,
	  r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
	&end
# 62 VAL CHI1:  (62 VAL N)-(62 VAL CA)-(62 VAL CB)-(62 VAL CG1) -200.0 -160.0
 &rst     iat =   901,   903,   905,   907,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 62 VAL PHI:  (61 PHE C)-(62 VAL N)-(62 VAL CA)-(62 VAL C) -147.0 -87.0
 &rst     iat =   899,   901,   903,   915,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end
# 62 VAL PSI:  (62 VAL N)-(62 VAL CA)-(62 VAL C)-(63 GLU N)  96.0 156.0
 &rst     iat =   901,   903,   915,   917,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&end
# 63 GLU PHI:  (62 VAL C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -141.0 -81.0
 &rst     iat =   915,   917,   919,   930,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end
# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 PHE N) 100.0 160.0
 &rst     iat =   917,   919,   930,   932,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end
# 64 PHE PHI:  (63 GLU C)-(64 PHE N)-(64 PHE CA)-(64 PHE C) -135.0 -75.0
 &rst     iat =   930,   932,   934,   950,
	  r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
	&end
# 64 PHE PSI:  (64 PHE N)-(64 PHE CA)-(64 PHE C)-(65 LEU N) 125.0 185.0
 &rst     iat =   932,   934,   950,   952,
	  r1 = 124.0, r2 = 125.0, r3 = 185.0, r4 = 186.0,
	&end
# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) -200.0 -160.0
 &rst     iat =   952,   954,   956,   959,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 65 LEU CHI2:  (65 LEU CA)-(65 LEU CB)-(65 LEU CG)-(65 LEU CD1)  40.0  80.0
 &rst     iat =   954,   956,   959,   961,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 67 GLU PHI:  (66 SER C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -95.0 -35.0
 &rst     iat =   980,   982,   984,   995,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end
# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 GLU N) -66.0  -6.0
 &rst     iat =   982,   984,   995,   997,
	  r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
	&end
# 68 GLU PHI:  (67 GLU C)-(68 GLU N)-(68 GLU CA)-(68 GLU C) -92.0 -32.0
 &rst     iat =   995,   997,   999,  1010,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 68 GLU PSI:  (68 GLU N)-(68 GLU CA)-(68 GLU C)-(69 ASP N) -70.0 -10.0
 &rst     iat =   997,   999,  1010,  1012,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 69 ASP PHI:  (68 GLU C)-(69 ASP N)-(69 ASP CA)-(69 ASP C) -96.0 -36.0
 &rst     iat =  1010,  1012,  1014,  1022,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 69 ASP PSI:  (69 ASP N)-(69 ASP CA)-(69 ASP C)-(70 ALA N) -73.0 -13.0
 &rst     iat =  1012,  1014,  1022,  1024,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 70 ALA PHI:  (69 ASP C)-(70 ALA N)-(70 ALA CA)-(70 ALA C) -94.0 -34.0
 &rst     iat =  1022,  1024,  1026,  1032,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 70 ALA PSI:  (70 ALA N)-(70 ALA CA)-(70 ALA C)-(71 ASP N) -72.0 -12.0
 &rst     iat =  1024,  1026,  1032,  1034,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end
# 71 ASP PHI:  (70 ALA C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -96.0 -36.0
 &rst     iat =  1032,  1034,  1036,  1044,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end
# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 TYR N) -63.0  -3.0
 &rst     iat =  1034,  1036,  1044,  1046,
	  r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
	&end
# 72 TYR PHI:  (71 ASP C)-(72 TYR N)-(72 TYR CA)-(72 TYR C) -93.0 -33.0
 &rst     iat =  1044,  1046,  1048,  1065,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end
# 72 TYR PSI:  (72 TYR N)-(72 TYR CA)-(72 TYR C)-(73 ALA N) -76.0 -16.0
 &rst     iat =  1046,  1048,  1065,  1067,
	  r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
	&end
# 73 ALA PHI:  (72 TYR C)-(73 ALA N)-(73 ALA CA)-(73 ALA C) -92.0 -32.0
 &rst     iat =  1065,  1067,  1069,  1075,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 73 ALA PSI:  (73 ALA N)-(73 ALA CA)-(73 ALA C)-(74 ILE N) -72.0 -12.0
 &rst     iat =  1067,  1069,  1075,  1077,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end
# 74 ILE CHI1:  (74 ILE N)-(74 ILE CA)-(74 ILE CB)-(74 ILE CG1) -80.0 -40.0
 &rst     iat =  1077,  1079,  1081,  1087,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 74 ILE CHI21:  (74 ILE CA)-(74 ILE CB)-(74 ILE CG1)-(74 ILE CD1) -200.0 -160.0
 &rst     iat =  1079,  1081,  1087,  1090,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 74 ILE PHI:  (73 ALA C)-(74 ILE N)-(74 ILE CA)-(74 ILE C) -94.0 -34.0
 &rst     iat =  1075,  1077,  1079,  1094,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end
# 74 ILE PSI:  (74 ILE N)-(74 ILE CA)-(74 ILE C)-(75 LYS N) -73.0 -13.0
 &rst     iat =  1077,  1079,  1094,  1096,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end
# 75 LYS PHI:  (74 ILE C)-(75 LYS N)-(75 LYS CA)-(75 LYS C) -92.0 -32.0
 &rst     iat =  1094,  1096,  1098,  1116,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end
# 75 LYS PSI:  (75 LYS N)-(75 LYS CA)-(75 LYS C)-(76 ILE N) -70.0 -10.0
 &rst     iat =  1096,  1098,  1116,  1118,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end
# 76 ILE CHI1:  (76 ILE N)-(76 ILE CA)-(76 ILE CB)-(76 ILE CG1)  40.0  80.0
 &rst     iat =  1118,  1120,  1122,  1128,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 76 ILE CHI21:  (76 ILE CA)-(76 ILE CB)-(76 ILE CG1)-(76 ILE CD1) -200.0 -160.0
 &rst     iat =  1120,  1122,  1128,  1131,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 80 ILE CHI1:  (80 ILE N)-(80 ILE CA)-(80 ILE CB)-(80 ILE CG1) -80.0 -40.0
 &rst     iat =  1183,  1185,  1187,  1193,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 80 ILE CHI21:  (80 ILE CA)-(80 ILE CB)-(80 ILE CG1)-(80 ILE CD1) -200.0 -160.0
 &rst     iat =  1185,  1187,  1193,  1196,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 82 LEU CHI1:  (82 LEU N)-(82 LEU CA)-(82 LEU CB)-(82 LEU CG) -200.0 -160.0
 &rst     iat =  1224,  1226,  1228,  1231,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 82 LEU CHI2:  (82 LEU CA)-(82 LEU CB)-(82 LEU CG)-(82 LEU CD1)  40.0  80.0
 &rst     iat =  1226,  1228,  1231,  1233,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 87 ILE CHI1:  (87 ILE N)-(87 ILE CA)-(87 ILE CB)-(87 ILE CG1)  40.0  80.0
 &rst     iat =  1307,  1309,  1311,  1317,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 87 ILE CHI21:  (87 ILE CA)-(87 ILE CB)-(87 ILE CG1)-(87 ILE CD1) -200.0 -160.0
 &rst     iat =  1309,  1311,  1317,  1320,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 89 VAL CHI1:  (89 VAL N)-(89 VAL CA)-(89 VAL CB)-(89 VAL CG1) -200.0 -160.0
 &rst     iat =  1350,  1352,  1354,  1356,
	  r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
	&end
# 89 VAL PHI:  (88 ARG C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -148.0 -88.0
 &rst     iat =  1348,  1350,  1352,  1364,
	  r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
	&end
# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 ASN N) 111.0 171.0
 &rst     iat =  1350,  1352,  1364,  1366,
	  r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
	&end
# 90 ASN PHI:  (89 VAL C)-(90 ASN N)-(90 ASN CA)-(90 ASN C) -175.0 -115.0
 &rst     iat =  1364,  1366,  1368,  1378,
	  r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
	&end
# 90 ASN PSI:  (90 ASN N)-(90 ASN CA)-(90 ASN C)-(91 LYS N) 121.0 181.0
 &rst     iat =  1366,  1368,  1378,  1380,
	  r1 = 120.0, r2 = 121.0, r3 = 181.0, r4 = 182.0,
	&end
# 91 LYS PHI:  (90 ASN C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -101.0 -41.0
 &rst     iat =  1378,  1380,  1382,  1400,
	  r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
	&end
# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 ALA N) 112.0 172.0
 &rst     iat =  1380,  1382,  1400,  1402,
	  r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
	&end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1          1H        GLY   1   0.150  24.080   7.624
    2    H2   GLY   1          2H        GLY   1   1.685  23.601   7.943
    3    H3   GLY   1          3H        GLY   1   0.612  23.775   9.167
    4    HA2  GLY   1          1HA       GLY   1  -0.729  21.957   8.348
    5    HA3  GLY   1          2HA       GLY   1   0.411  21.780   7.001
    6    H    SER   2           H        SER   2  -0.382  19.886   9.187
    7    HA   SER   2           HA       SER   2   1.448  19.689  11.261
    8    HB2  SER   2          1HB       SER   2   0.056  17.378   9.861
    9    HB3  SER   2          2HB       SER   2   0.657  17.407  11.531
   10    HG   SER   2           HG       SER   2  -1.599  17.840  11.415
   11    H    SER   3           H        SER   3   2.019  18.630   7.939
   12    HA   SER   3           HA       SER   3   4.188  16.863   8.325
   13    HB2  SER   3          1HB       SER   3   3.858  18.880   6.072
   14    HB3  SER   3          2HB       SER   3   4.761  17.353   6.024
   15    HG   SER   3           HG       SER   3   2.662  17.190   5.071
   16    H    GLY   4           H        GLY   4   4.105  20.357   8.712
   17    HA2  GLY   4          1HA       GLY   4   7.028  20.718   8.629
   18    HA3  GLY   4          2HA       GLY   4   5.796  21.934   8.964
   19    H    SER   5           H        SER   5   4.876  19.593  11.062
   20    HA   SER   5           HA       SER   5   5.960  21.050  13.307
   21    HB2  SER   5          1HB       SER   5   4.239  18.550  13.250
   22    HB3  SER   5          2HB       SER   5   4.558  19.569  14.664
   23    HG   SER   5           HG       SER   5   2.597  20.164  13.712
   24    H    SER   6           H        SER   6   7.325  18.440  11.635
   25    HA   SER   6           HA       SER   6   9.354  18.096  13.730
   26    HB2  SER   6          1HB       SER   6   7.601  16.315  14.152
   27    HB3  SER   6          2HB       SER   6   8.001  15.637  12.561
   28    HG   SER   6           HG       SER   6   9.188  14.670  14.307
   29    H    GLY   7           H        GLY   7  11.313  17.090  12.919
   30    HA2  GLY   7          1HA       GLY   7  11.961  17.983  10.232
   31    HA3  GLY   7          2HA       GLY   7  13.062  17.226  11.375
   32    HA   PRO   8           HA       PRO   8  11.635  14.081   8.049
   33    HB2  PRO   8          1HB       PRO   8  13.436  14.369   6.030
   34    HB3  PRO   8          2HB       PRO   8  11.961  15.378   6.146
   35    HG2  PRO   8          1HG       PRO   8  14.766  16.075   7.088
   36    HG3  PRO   8          2HG       PRO   8  13.673  17.055   6.057
   37    HD2  PRO   8          1HD       PRO   8  13.858  17.441   8.754
   38    HD3  PRO   8          2HD       PRO   8  12.302  17.623   7.887
   39    H    ILE   9           H        ILE   9  12.779  12.099   7.519
   40    HA   ILE   9           HA       ILE   9  15.517  11.737   8.486
   41    HB   ILE   9           HB       ILE   9  14.062  11.328  10.469
   42   HG12  ILE   9          1HG1      ILE   9  14.977   9.201  11.206
   43   HG13  ILE   9          2HG1      ILE   9  15.486   8.802   9.573
   44   HG21  ILE   9          1HG2      ILE   9  12.982   8.911   8.963
   45   HG22  ILE   9          2HG2      ILE   9  12.636   9.373  10.638
   46   HG23  ILE   9          3HG2      ILE   9  12.073  10.397   9.315
   47   HD11  ILE   9          1HD1      ILE   9  17.104  10.666   9.593
   48   HD12  ILE   9          2HD1      ILE   9  16.489  11.197  11.179
   49   HD13  ILE   9          3HD1      ILE   9  17.333   9.644  11.018
   50    H    SER  10           H        SER  10  16.624  10.025   7.525
   51    HA   SER  10           HA       SER  10  15.665   9.115   4.975
   52    HB2  SER  10          1HB       SER  10  18.045   8.131   6.590
   53    HB3  SER  10          2HB       SER  10  17.777   7.910   4.849
   54    HG   SER  10           HG       SER  10  19.167   9.689   5.293
   55    H    GLU  11           H        GLU  11  15.393   7.714   8.157
   56    HA   GLU  11           HA       GLU  11  15.500   4.963   7.532
   57    HB2  GLU  11          1HB       GLU  11  15.789   5.965   9.760
   58    HB3  GLU  11          2HB       GLU  11  14.069   6.371   9.820
   59    HG2  GLU  11          1HG       GLU  11  13.468   3.998   9.782
   60    HG3  GLU  11          2HG       GLU  11  15.153   3.536   9.525
   61    H    ARG  12           H        ARG  12  14.113   3.466   6.841
   62    HA   ARG  12           HA       ARG  12  11.379   4.206   5.932
   63    HB2  ARG  12          1HB       ARG  12  12.918   1.610   5.557
   64    HB3  ARG  12          2HB       ARG  12  11.426   2.077   4.756
   65    HG2  ARG  12          1HG       ARG  12  14.182   3.322   4.316
   66    HG3  ARG  12          2HG       ARG  12  13.313   2.227   3.253
   67    HD2  ARG  12          1HD       ARG  12  12.889   4.234   2.226
   68    HD3  ARG  12          2HD       ARG  12  11.449   4.025   3.220
   69    HE   ARG  12           HE       ARG  12  13.748   5.623   4.276
   70   HH11  ARG  12          1HH1      ARG  12  10.282   7.439   3.550
   71   HH12  ARG  12          2HH1      ARG  12  10.388   5.729   3.195
   72   HH21  ARG  12          1HH2      ARG  12  13.460   7.665   4.813
   73   HH22  ARG  12          2HH2      ARG  12  11.963   8.504   4.518
   74    H    ASN  13           H        ASN  13   9.498   3.026   6.558
   75    HA   ASN  13           HA       ASN  13   9.771   1.349   9.031
   76    HB2  ASN  13          1HB       ASN  13   9.493   3.714   9.699
   77    HB3  ASN  13          2HB       ASN  13   8.012   3.817   8.748
   78   HD21  ASN  13          1HD2      ASN  13   9.445   2.592  11.734
   79   HD22  ASN  13          2HD2      ASN  13   7.922   2.024  12.403
   80    H    GLN  14           H        GLN  14   8.502  -0.386   9.140
   81    HA   GLN  14           HA       GLN  14   6.758  -1.018   6.901
   82    HB2  GLN  14          1HB       GLN  14   7.734  -2.547   9.330
   83    HB3  GLN  14          2HB       GLN  14   6.530  -3.214   8.230
   84    HG2  GLN  14          1HG       GLN  14   8.050  -2.968   6.316
   85    HG3  GLN  14          2HG       GLN  14   9.296  -2.292   7.375
   86   HE21  GLN  14          1HE2      GLN  14   7.244  -5.293   6.954
   87   HE22  GLN  14          2HE2      GLN  14   8.502  -6.343   7.590
   88    H    ASP  15           H        ASP  15   5.982   0.502   9.890
   89    HA   ASP  15           HA       ASP  15   3.157  -0.464   9.761
   90    HB2  ASP  15          1HB       ASP  15   4.556   1.361  11.745
   91    HB3  ASP  15          2HB       ASP  15   2.851   0.924  11.776
   92    H    ALA  16           H        ALA  16   5.141   2.441   9.202
   93    HA   ALA  16           HA       ALA  16   2.897   4.015   8.185
   94    HB1  ALA  16          1HB       ALA  16   4.898   5.016   9.276
   95    HB2  ALA  16          2HB       ALA  16   5.894   4.449   7.911
   96    HB3  ALA  16          3HB       ALA  16   4.609   5.643   7.644
   97    H    THR  17           H        THR  17   4.833   1.488   6.861
   98    HA   THR  17           HA       THR  17   4.006   2.155   4.085
   99    HB   THR  17           HB       THR  17   5.716  -0.173   4.981
  100    HG1  THR  17          1HG       THR  17   6.825   1.680   5.341
  101   HG21  THR  17          1HG2      THR  17   5.246   1.059   2.221
  102   HG22  THR  17          2HG2      THR  17   4.685  -0.541   2.757
  103   HG23  THR  17          3HG2      THR  17   6.415  -0.215   2.589
  104    H    VAL  18           H        VAL  18   2.396   1.159   3.059
  105    HA   VAL  18           HA       VAL  18   0.973  -1.085   4.427
  106    HB   VAL  18           HB       VAL  18  -0.995  -0.591   3.238
  107   HG11  VAL  18          1HG1      VAL  18  -0.512   0.850   5.220
  108   HG12  VAL  18          2HG1      VAL  18   0.144   2.093   4.132
  109   HG13  VAL  18          3HG1      VAL  18  -1.559   1.640   4.025
  110   HG21  VAL  18          1HG2      VAL  18   0.507   1.561   1.730
  111   HG22  VAL  18          2HG2      VAL  18  -0.151   0.064   1.028
  112   HG23  VAL  18          3HG2      VAL  18  -1.242   1.296   1.669
  113    H    TYR  19           H        TYR  19   0.474  -2.913   3.288
  114    HA   TYR  19           HA       TYR  19   2.056  -3.557   0.836
  115    HB2  TYR  19          1HB       TYR  19   2.437  -5.145   2.579
  116    HB3  TYR  19          2HB       TYR  19   0.743  -5.178   3.038
  117    HD1  TYR  19          1HD       TYR  19   3.192  -6.362   0.503
  118    HD2  TYR  19          2HD       TYR  19  -0.890  -6.543   1.889
  119    HE1  TYR  19          1HE       TYR  19   2.804  -8.378  -0.900
  120    HE2  TYR  19          2HE       TYR  19  -1.285  -8.538   0.449
  121    HH   TYR  19           HH       TYR  19   1.308  -9.978  -1.564
  122    H    VAL  20           H        VAL  20   1.010  -4.088  -1.022
  123    HA   VAL  20           HA       VAL  20  -1.973  -4.229  -1.094
  124    HB   VAL  20           HB       VAL  20  -0.280  -2.791  -3.179
  125   HG11  VAL  20          1HG1      VAL  20  -3.293  -3.033  -2.756
  126   HG12  VAL  20          2HG1      VAL  20  -2.503  -2.067  -4.014
  127   HG13  VAL  20          3HG1      VAL  20  -2.366  -3.835  -4.023
  128   HG21  VAL  20          1HG2      VAL  20  -2.055  -1.570  -1.031
  129   HG22  VAL  20          2HG2      VAL  20  -0.291  -1.400  -1.163
  130   HG23  VAL  20          3HG2      VAL  20  -1.329  -0.706  -2.406
  131    H    GLY  21           H        GLY  21  -2.306  -6.335  -1.576
  132    HA2  GLY  21          1HA       GLY  21  -0.573  -7.727  -3.586
  133    HA3  GLY  21          2HA       GLY  21  -1.583  -8.506  -2.378
  134    H    GLY  22           H        GLY  22  -1.426  -8.602  -5.425
  135    HA2  GLY  22          1HA       GLY  22  -3.145  -9.633  -6.724
  136    HA3  GLY  22          2HA       GLY  22  -4.388  -8.771  -5.816
  137    H    LEU  23           H        LEU  23  -1.468  -7.388  -7.319
  138    HA   LEU  23           HA       LEU  23  -2.999  -5.201  -8.496
  139    HB2  LEU  23          1HB       LEU  23  -0.044  -5.942  -8.611
  140    HB3  LEU  23          2HB       LEU  23  -0.734  -4.444  -9.226
  141    HG   LEU  23           HG       LEU  23  -0.652  -5.325  -6.307
  142   HD11  LEU  23          1HD1      LEU  23   0.906  -3.475  -6.058
  143   HD12  LEU  23          2HD1      LEU  23   0.777  -3.084  -7.785
  144   HD13  LEU  23          3HD1      LEU  23   1.503  -4.621  -7.276
  145   HD21  LEU  23          1HD2      LEU  23  -1.373  -2.869  -5.968
  146   HD22  LEU  23          2HD2      LEU  23  -2.613  -4.034  -6.459
  147   HD23  LEU  23          3HD2      LEU  23  -1.929  -2.917  -7.647
  148    H    ASP  24           H        ASP  24  -3.246  -4.731 -10.647
  149    HA   ASP  24           HA       ASP  24  -3.080  -6.996 -12.499
  150    HB2  ASP  24          1HB       ASP  24  -5.122  -5.578 -12.382
  151    HB3  ASP  24          2HB       ASP  24  -4.171  -4.176 -12.887
  152    H    GLU  25           H        GLU  25  -2.115  -6.763 -14.690
  153    HA   GLU  25           HA       GLU  25   0.582  -5.883 -14.638
  154    HB2  GLU  25          1HB       GLU  25   0.631  -6.448 -16.987
  155    HB3  GLU  25          2HB       GLU  25  -0.232  -7.678 -16.068
  156    HG2  GLU  25          1HG       GLU  25  -2.405  -6.725 -16.832
  157    HG3  GLU  25          2HG       GLU  25  -1.540  -5.490 -17.749
  158    H    LYS  26           H        LYS  26  -2.286  -4.001 -15.394
  159    HA   LYS  26           HA       LYS  26  -0.813  -1.814 -16.678
  160    HB2  LYS  26          1HB       LYS  26  -3.651  -2.043 -15.609
  161    HB3  LYS  26          2HB       LYS  26  -3.013  -0.633 -16.467
  162    HG2  LYS  26          1HG       LYS  26  -2.461  -2.067 -18.425
  163    HG3  LYS  26          2HG       LYS  26  -3.186  -3.457 -17.622
  164    HD2  LYS  26          1HD       LYS  26  -4.614  -0.885 -18.405
  165    HD3  LYS  26          2HD       LYS  26  -4.693  -2.411 -19.281
  166    HE2  LYS  26          1HE       LYS  26  -5.725  -1.914 -16.455
  167    HE3  LYS  26          2HE       LYS  26  -6.707  -2.001 -17.921
  168    HZ1  LYS  26          1HZ       LYS  26  -5.852  -4.333 -18.178
  169    HZ2  LYS  26          2HZ       LYS  26  -6.784  -4.123 -16.853
  170    HZ3  LYS  26          3HZ       LYS  26  -5.167  -4.219 -16.683
  171    H    VAL  27           H        VAL  27  -1.039  -2.727 -13.408
  172    HA   VAL  27           HA       VAL  27  -0.999  -0.049 -12.238
  173    HB   VAL  27           HB       VAL  27  -0.307  -2.747 -11.020
  174   HG11  VAL  27          1HG1      VAL  27  -0.677  -1.608  -8.854
  175   HG12  VAL  27          2HG1      VAL  27   0.736  -0.994  -9.683
  176   HG13  VAL  27          3HG1      VAL  27  -0.764  -0.050  -9.680
  177   HG21  VAL  27          1HG2      VAL  27  -2.851  -1.057 -10.859
  178   HG22  VAL  27          2HG2      VAL  27  -2.680  -2.608 -11.707
  179   HG23  VAL  27          3HG2      VAL  27  -2.552  -2.547  -9.949
  180    H    SER  28           H        SER  28   0.709   1.145 -11.509
  181    HA   SER  28           HA       SER  28   3.480   0.096 -11.719
  182    HB2  SER  28          1HB       SER  28   4.247   2.106 -12.816
  183    HB3  SER  28          2HB       SER  28   2.961   1.382 -13.791
  184    HG   SER  28           HG       SER  28   2.600   3.604 -13.597
  185    H    GLU  29           H        GLU  29   5.057   1.418 -10.451
  186    HA   GLU  29           HA       GLU  29   4.109   2.047  -7.852
  187    HB2  GLU  29          1HB       GLU  29   6.687   2.527  -9.357
  188    HB3  GLU  29          2HB       GLU  29   6.464   3.325  -7.813
  189    HG2  GLU  29          1HG       GLU  29   6.672   1.426  -6.605
  190    HG3  GLU  29          2HG       GLU  29   5.752   0.466  -7.738
  191    HA   PRO  30           HA       PRO  30   4.069   6.752  -9.091
  192    HB2  PRO  30          1HB       PRO  30   3.411   6.378 -12.019
  193    HB3  PRO  30          2HB       PRO  30   4.221   7.759 -11.212
  194    HG2  PRO  30          1HG       PRO  30   5.704   5.934 -12.533
  195    HG3  PRO  30          2HG       PRO  30   6.235   6.484 -10.907
  196    HD2  PRO  30          1HD       PRO  30   4.726   3.963 -11.638
  197    HD3  PRO  30          2HD       PRO  30   6.147   4.165 -10.575
  198    H    LEU  31           H        LEU  31   1.959   4.243 -10.597
  199    HA   LEU  31           HA       LEU  31  -0.467   5.830 -10.397
  200    HB2  LEU  31          1HB       LEU  31  -0.310   3.809 -11.872
  201    HB3  LEU  31          2HB       LEU  31  -0.130   2.804 -10.438
  202    HG   LEU  31           HG       LEU  31  -2.427   3.720  -9.635
  203   HD11  LEU  31          1HD1      LEU  31  -3.896   4.514 -11.441
  204   HD12  LEU  31          2HD1      LEU  31  -2.520   4.528 -12.569
  205   HD13  LEU  31          3HD1      LEU  31  -2.556   5.641 -11.179
  206   HD21  LEU  31          1HD2      LEU  31  -2.170   2.028 -12.140
  207   HD22  LEU  31          2HD2      LEU  31  -3.628   2.143 -11.129
  208   HD23  LEU  31          3HD2      LEU  31  -2.144   1.469 -10.444
  209    H    LEU  32           H        LEU  32   0.975   3.218  -8.377
  210    HA   LEU  32           HA       LEU  32  -0.964   3.294  -6.314
  211    HB2  LEU  32          1HB       LEU  32   2.021   2.730  -5.988
  212    HB3  LEU  32          2HB       LEU  32   0.738   2.336  -4.846
  213    HG   LEU  32           HG       LEU  32   1.230   1.100  -7.553
  214   HD11  LEU  32          1HD1      LEU  32   2.562   0.267  -5.625
  215   HD12  LEU  32          2HD1      LEU  32   1.429  -0.955  -6.235
  216   HD13  LEU  32          3HD1      LEU  32   1.047  -0.066  -4.742
  217   HD21  LEU  32          1HD2      LEU  32  -0.746  -0.389  -6.933
  218   HD22  LEU  32          2HD2      LEU  32  -1.175   1.269  -7.391
  219   HD23  LEU  32          3HD2      LEU  32  -1.150   0.788  -5.672
  220    H    TRP  33           H        TRP  33   2.004   5.259  -6.634
  221    HA   TRP  33           HA       TRP  33   1.808   6.630  -4.171
  222    HB2  TRP  33          1HB       TRP  33   3.685   6.595  -5.899
  223    HB3  TRP  33          2HB       TRP  33   2.806   7.799  -6.806
  224    HD1  TRP  33           HD       TRP  33   2.038   9.759  -4.342
  225    HE1  TRP  33          1HE       TRP  33   3.893  11.093  -3.157
  226    HE3  TRP  33          3HE       TRP  33   6.030   6.985  -5.806
  227    HZ2  TRP  33          2HZ       TRP  33   6.775  10.969  -2.903
  228    HZ3  TRP  33          3HZ       TRP  33   8.354   7.601  -5.093
  229    HH2  TRP  33           HH       TRP  33   8.723   9.590  -3.644
  230    H    GLU  34           H        GLU  34   0.753   7.897  -7.355
  231    HA   GLU  34           HA       GLU  34  -0.643  10.131  -6.258
  232    HB2  GLU  34          1HB       GLU  34  -0.902   8.744  -8.963
  233    HB3  GLU  34          2HB       GLU  34  -1.677  10.282  -8.546
  234    HG2  GLU  34          1HG       GLU  34   0.606  11.169  -7.922
  235    HG3  GLU  34          2HG       GLU  34   1.317   9.729  -8.639
  236    H    LEU  35           H        LEU  35  -1.839   6.874  -6.907
  237    HA   LEU  35           HA       LEU  35  -4.637   7.494  -6.543
  238    HB2  LEU  35          1HB       LEU  35  -3.520   5.411  -7.653
  239    HB3  LEU  35          2HB       LEU  35  -3.328   4.818  -5.997
  240    HG   LEU  35           HG       LEU  35  -5.890   5.197  -5.821
  241   HD11  LEU  35          1HD1      LEU  35  -6.180   6.486  -7.905
  242   HD12  LEU  35          2HD1      LEU  35  -7.126   4.991  -7.928
  243   HD13  LEU  35          3HD1      LEU  35  -5.606   5.089  -8.844
  244   HD21  LEU  35          1HD2      LEU  35  -6.343   2.978  -6.768
  245   HD22  LEU  35          2HD2      LEU  35  -4.851   2.993  -5.824
  246   HD23  LEU  35          3HD2      LEU  35  -4.770   3.011  -7.604
  247    H    PHE  36           H        PHE  36  -2.037   6.562  -4.271
  248    HA   PHE  36           HA       PHE  36  -3.919   6.259  -2.023
  249    HB2  PHE  36          1HB       PHE  36  -0.999   5.708  -2.475
  250    HB3  PHE  36          2HB       PHE  36  -1.603   5.836  -0.872
  251    HD1  PHE  36          1HD       PHE  36  -2.254   3.881   0.224
  252    HD2  PHE  36          2HD       PHE  36  -2.554   4.026  -4.064
  253    HE1  PHE  36          1HE       PHE  36  -3.057   1.533   0.195
  254    HE2  PHE  36          2HE       PHE  36  -3.261   1.656  -4.101
  255    HZ   PHE  36           HZ       PHE  36  -3.565   0.417  -1.965
  256    H    LEU  37           H        LEU  37  -2.133   8.883  -3.333
  257    HA   LEU  37           HA       LEU  37  -1.758  10.553  -1.093
  258    HB2  LEU  37          1HB       LEU  37  -2.643  11.081  -3.947
  259    HB3  LEU  37          2HB       LEU  37  -2.434  12.398  -2.797
  260    HG   LEU  37           HG       LEU  37  -0.239  10.534  -3.735
  261   HD11  LEU  37          1HD1      LEU  37  -0.684  13.505  -4.189
  262   HD12  LEU  37          2HD1      LEU  37  -1.015  12.236  -5.383
  263   HD13  LEU  37          3HD1      LEU  37   0.647  12.515  -4.831
  264   HD21  LEU  37          1HD2      LEU  37  -0.157  12.874  -1.802
  265   HD22  LEU  37          2HD2      LEU  37   1.274  12.086  -2.520
  266   HD23  LEU  37          3HD2      LEU  37   0.210  11.175  -1.441
  267    H    GLN  38           H        GLN  38  -4.757   9.460  -2.392
  268    HA   GLN  38           HA       GLN  38  -6.568  11.409  -1.308
  269    HB2  GLN  38          1HB       GLN  38  -7.042   8.427  -1.755
  270    HB3  GLN  38          2HB       GLN  38  -8.277   9.687  -1.608
  271    HG2  GLN  38          1HG       GLN  38  -7.359  10.775  -3.679
  272    HG3  GLN  38          2HG       GLN  38  -6.195   9.440  -3.791
  273   HE21  GLN  38          1HE2      GLN  38  -6.916   7.368  -4.463
  274   HE22  GLN  38          2HE2      GLN  38  -8.533   7.131  -5.147
  275    H    ALA  39           H        ALA  39  -4.933   8.625   0.142
  276    HA   ALA  39           HA       ALA  39  -6.522   8.658   2.602
  277    HB1  ALA  39          1HB       ALA  39  -5.418   6.603   1.653
  278    HB2  ALA  39          2HB       ALA  39  -3.852   7.333   1.997
  279    HB3  ALA  39          3HB       ALA  39  -4.957   6.960   3.334
  280    H    GLY  40           H        GLY  40  -3.218   9.679   1.666
  281    HA2  GLY  40          1HA       GLY  40  -3.093  11.980   3.347
  282    HA3  GLY  40          2HA       GLY  40  -2.328  10.615   4.168
  283    HA   PRO  41           HA       PRO  41   0.726  12.748   1.303
  284    HB2  PRO  41          1HB       PRO  41   2.718  13.238   3.129
  285    HB3  PRO  41          2HB       PRO  41   1.322  14.324   2.859
  286    HG2  PRO  41          1HG       PRO  41   1.616  12.183   4.988
  287    HG3  PRO  41          2HG       PRO  41   1.123  13.891   5.205
  288    HD2  PRO  41          1HD       PRO  41  -0.681  11.865   5.022
  289    HD3  PRO  41          2HD       PRO  41  -1.029  13.436   4.242
  290    H    VAL  42           H        VAL  42   1.429  11.150   0.066
  291    HA   VAL  42           HA       VAL  42   2.809   8.763   1.114
  292    HB   VAL  42           HB       VAL  42   2.131   9.564  -1.732
  293   HG11  VAL  42          1HG1      VAL  42   2.672   7.179  -2.253
  294   HG12  VAL  42          2HG1      VAL  42   4.089   8.081  -1.745
  295   HG13  VAL  42          3HG1      VAL  42   3.294   6.976  -0.605
  296   HG21  VAL  42          1HG2      VAL  42   0.121   9.009  -0.392
  297   HG22  VAL  42          2HG2      VAL  42   0.452   7.773  -1.605
  298   HG23  VAL  42          3HG2      VAL  42   0.875   7.477   0.095
  299    H    VAL  43           H        VAL  43   4.879   8.435   1.107
  300    HA   VAL  43           HA       VAL  43   6.750  10.644   0.376
  301    HB   VAL  43           HB       VAL  43   7.257   8.317   2.265
  302   HG11  VAL  43          1HG1      VAL  43   9.254   9.616   1.646
  303   HG12  VAL  43          2HG1      VAL  43   8.430  11.126   2.109
  304   HG13  VAL  43          3HG1      VAL  43   8.825   9.914   3.340
  305   HG21  VAL  43          1HG2      VAL  43   6.049  11.011   3.007
  306   HG22  VAL  43          2HG2      VAL  43   5.264   9.418   3.122
  307   HG23  VAL  43          3HG2      VAL  43   6.653   9.772   4.140
  308    H    ASN  44           H        ASN  44   6.179   7.193  -0.059
  309    HA   ASN  44           HA       ASN  44   8.203   6.878  -2.157
  310    HB2  ASN  44          1HB       ASN  44   9.649   6.770  -0.244
  311    HB3  ASN  44          2HB       ASN  44   8.503   5.840   0.684
  312   HD21  ASN  44          1HD2      ASN  44   9.492   3.962   1.147
  313   HD22  ASN  44          2HD2      ASN  44  10.257   2.929  -0.074
  314    H    THR  45           H        THR  45   8.091   4.749  -3.154
  315    HA   THR  45           HA       THR  45   5.867   2.929  -2.448
  316    HB   THR  45           HB       THR  45   5.407   2.666  -4.964
  317    HG1  THR  45          1HG       THR  45   7.156   4.056  -5.605
  318   HG21  THR  45          1HG2      THR  45   3.676   4.265  -5.030
  319   HG22  THR  45          2HG2      THR  45   4.441   5.274  -3.767
  320   HG23  THR  45          3HG2      THR  45   3.789   3.664  -3.377
  321    H    HIS  46           H        HIS  46   6.151   0.766  -3.229
  322    HA   HIS  46           HA       HIS  46   8.631   0.176  -4.743
  323    HB2  HIS  46          1HB       HIS  46   9.007   0.052  -2.145
  324    HB3  HIS  46          2HB       HIS  46   8.004  -1.377  -2.215
  325    HD2  HIS  46          2HD       HIS  46  11.511  -0.171  -2.980
  326    HE1  HIS  46          1HE       HIS  46  11.372  -4.189  -4.410
  327    HE2  HIS  46          2HE       HIS  46  12.899  -2.212  -3.909
  328    H    MET  47           H        MET  47   8.253  -1.357  -6.278
  329    HA   MET  47           HA       MET  47   6.205  -3.476  -5.734
  330    HB2  MET  47          1HB       MET  47   6.431  -1.831  -8.262
  331    HB3  MET  47          2HB       MET  47   5.713  -3.442  -8.224
  332    HG2  MET  47          1HG       MET  47   4.023  -2.792  -6.688
  333    HG3  MET  47          2HG       MET  47   4.777  -1.228  -6.377
  334    HE1  MET  47          1HE       MET  47   2.968  -3.488  -8.905
  335    HE2  MET  47          2HE       MET  47   2.512  -2.384 -10.229
  336    HE3  MET  47          3HE       MET  47   4.210  -2.847 -10.009
  337    HA   PRO  48           HA       PRO  48  10.153  -5.559  -6.520
  338    HB2  PRO  48          1HB       PRO  48   8.334  -7.877  -5.817
  339    HB3  PRO  48          2HB       PRO  48  10.053  -7.617  -5.364
  340    HG2  PRO  48          1HG       PRO  48   8.138  -7.031  -3.576
  341    HG3  PRO  48          2HG       PRO  48   9.440  -5.836  -3.854
  342    HD2  PRO  48          1HD       PRO  48   6.640  -5.864  -5.032
  343    HD3  PRO  48          2HD       PRO  48   7.521  -4.500  -4.272
  344    H    LYS  49           H        LYS  49  10.999  -6.626  -8.276
  345    HA   LYS  49           HA       LYS  49   9.143  -7.125 -10.565
  346    HB2  LYS  49          1HB       LYS  49  12.044  -6.246 -10.685
  347    HB3  LYS  49          2HB       LYS  49  10.936  -6.421 -12.036
  348    HG2  LYS  49          1HG       LYS  49  10.822  -4.327  -9.837
  349    HG3  LYS  49          2HG       LYS  49  11.262  -4.091 -11.529
  350    HD2  LYS  49          1HD       LYS  49   8.902  -4.834 -12.152
  351    HD3  LYS  49          2HD       LYS  49   8.502  -4.763 -10.432
  352    HE2  LYS  49          1HE       LYS  49   9.395  -2.458 -12.222
  353    HE3  LYS  49          2HE       LYS  49   7.792  -2.722 -11.533
  354    HZ1  LYS  49          1HZ       LYS  49  10.244  -1.929 -10.086
  355    HZ2  LYS  49          2HZ       LYS  49   8.960  -2.556  -9.295
  356    HZ3  LYS  49          3HZ       LYS  49   8.797  -1.153 -10.110
  357    H    ASP  50           H        ASP  50   9.387  -8.771 -11.919
  358    HA   ASP  50           HA       ASP  50  10.544 -11.252 -11.033
  359    HB2  ASP  50          1HB       ASP  50   8.493 -11.122 -12.372
  360    HB3  ASP  50          2HB       ASP  50   9.365 -10.332 -13.683
  361    H    ARG  51           H        ARG  51  12.311 -12.402 -11.799
  362    HA   ARG  51           HA       ARG  51  14.523 -10.755 -12.795
  363    HB2  ARG  51          1HB       ARG  51  15.976 -12.458 -11.986
  364    HB3  ARG  51          2HB       ARG  51  14.766 -12.074 -10.768
  365    HG2  ARG  51          1HG       ARG  51  13.491 -14.147 -11.405
  366    HG3  ARG  51          2HG       ARG  51  14.722 -14.499 -12.627
  367    HD2  ARG  51          1HD       ARG  51  15.189 -15.840 -10.723
  368    HD3  ARG  51          2HD       ARG  51  16.452 -14.605 -10.842
  369    HE   ARG  51           HE       ARG  51  14.352 -13.686  -9.108
  370   HH11  ARG  51          1HH1      ARG  51  16.960 -16.023  -9.052
  371   HH12  ARG  51          2HH1      ARG  51  17.105 -15.957  -7.316
  372   HH21  ARG  51          1HH2      ARG  51  15.796 -14.643  -6.136
  373   HH22  ARG  51          2HH2      ARG  51  14.596 -13.641  -6.897
  374    H    VAL  52           H        VAL  52  12.337 -12.145 -14.658
  375    HA   VAL  52           HA       VAL  52  14.308 -13.050 -16.739
  376    HB   VAL  52           HB       VAL  52  11.614 -14.354 -16.165
  377   HG11  VAL  52          1HG1      VAL  52  12.256 -14.525 -18.531
  378   HG12  VAL  52          2HG1      VAL  52  13.869 -15.117 -18.070
  379   HG13  VAL  52          3HG1      VAL  52  12.419 -16.092 -17.742
  380   HG21  VAL  52          1HG2      VAL  52  13.126 -14.988 -14.369
  381   HG22  VAL  52          2HG2      VAL  52  12.958 -16.345 -15.475
  382   HG23  VAL  52          3HG2      VAL  52  14.427 -15.345 -15.533
  383    H    THR  53           H        THR  53  11.113 -11.676 -16.009
  384    HA   THR  53           HA       THR  53  10.859 -10.673 -18.807
  385    HB   THR  53           HB       THR  53   8.456 -10.595 -18.400
  386    HG1  THR  53          1HG       THR  53   9.069 -11.780 -15.894
  387   HG21  THR  53          1HG2      THR  53   7.933 -12.958 -18.279
  388   HG22  THR  53          2HG2      THR  53   9.521 -13.331 -17.575
  389   HG23  THR  53          3HG2      THR  53   9.402 -12.732 -19.246
  390    H    GLY  54           H        GLY  54  11.387  -9.680 -15.582
  391    HA2  GLY  54          1HA       GLY  54  11.766  -7.645 -14.675
  392    HA3  GLY  54          2HA       GLY  54  11.620  -6.952 -16.291
  393    H    GLN  55           H        GLN  55   8.754  -8.582 -15.559
  394    HA   GLN  55           HA       GLN  55   7.241  -6.106 -15.124
  395    HB2  GLN  55          1HB       GLN  55   6.240  -8.979 -15.145
  396    HB3  GLN  55          2HB       GLN  55   5.287  -7.509 -15.340
  397    HG2  GLN  55          1HG       GLN  55   7.271  -8.711 -17.307
  398    HG3  GLN  55          2HG       GLN  55   5.536  -8.550 -17.500
  399   HE21  GLN  55          1HE2      GLN  55   8.535  -7.112 -18.278
  400   HE22  GLN  55          2HE2      GLN  55   7.892  -5.544 -18.768
  401    H    HIS  56           H        HIS  56   5.575  -5.996 -13.295
  402    HA   HIS  56           HA       HIS  56   6.920  -6.535 -10.776
  403    HB2  HIS  56          1HB       HIS  56   5.181  -5.422  -9.687
  404    HB3  HIS  56          2HB       HIS  56   5.505  -4.529 -11.166
  405    HD2  HIS  56          2HD       HIS  56   3.393  -3.985 -12.630
  406    HE1  HIS  56          1HE       HIS  56   0.589  -6.602 -10.777
  407    HE2  HIS  56          2HE       HIS  56   0.859  -4.718 -12.442
  408    H    GLN  57           H        GLN  57   6.211  -7.800  -9.030
  409    HA   GLN  57           HA       GLN  57   5.429 -10.459  -9.930
  410    HB2  GLN  57          1HB       GLN  57   6.466  -9.414  -7.276
  411    HB3  GLN  57          2HB       GLN  57   6.151 -11.121  -7.626
  412    HG2  GLN  57          1HG       GLN  57   7.756 -11.053  -9.515
  413    HG3  GLN  57          2HG       GLN  57   8.124  -9.369  -9.149
  414   HE21  GLN  57          1HE2      GLN  57   8.335 -12.714  -7.831
  415   HE22  GLN  57          2HE2      GLN  57   9.642 -12.323  -6.722
  416    H    GLY  58           H        GLY  58   3.258  -8.294  -9.590
  417    HA2  GLY  58          1HA       GLY  58   0.970  -8.574  -9.329
  418    HA3  GLY  58          2HA       GLY  58   1.224 -10.098  -8.482
  419    H    TYR  59           H        TYR  59   3.163  -7.783  -6.978
  420    HA   TYR  59           HA       TYR  59   1.061  -6.624  -5.283
  421    HB2  TYR  59          1HB       TYR  59   1.989  -7.385  -3.213
  422    HB3  TYR  59          2HB       TYR  59   1.575  -8.770  -4.200
  423    HD1  TYR  59          1HD       TYR  59   4.255  -6.987  -2.472
  424    HD2  TYR  59          2HD       TYR  59   3.388 -10.111  -5.322
  425    HE1  TYR  59          1HE       TYR  59   6.527  -7.952  -2.125
  426    HE2  TYR  59          2HE       TYR  59   5.680 -11.023  -5.027
  427    HH   TYR  59           HH       TYR  59   7.682 -10.830  -3.915
  428    H    GLY  60           H        GLY  60   1.804  -4.976  -3.859
  429    HA2  GLY  60          1HA       GLY  60   4.405  -3.671  -4.420
  430    HA3  GLY  60          2HA       GLY  60   2.922  -2.825  -4.864
  431    H    PHE  61           H        PHE  61   4.332  -1.445  -3.305
  432    HA   PHE  61           HA       PHE  61   3.020  -1.474  -0.655
  433    HB2  PHE  61          1HB       PHE  61   5.994  -1.087  -1.174
  434    HB3  PHE  61          2HB       PHE  61   5.204  -0.908   0.373
  435    HD1  PHE  61          1HD       PHE  61   6.486  -3.313  -2.097
  436    HD2  PHE  61          2HD       PHE  61   4.445  -2.857   1.671
  437    HE1  PHE  61          1HE       PHE  61   6.978  -5.680  -1.547
  438    HE2  PHE  61          2HE       PHE  61   4.955  -5.228   2.231
  439    HZ   PHE  61           HZ       PHE  61   6.213  -6.644   0.618
  440    H    VAL  62           H        VAL  62   2.797   0.534   0.319
  441    HA   VAL  62           HA       VAL  62   3.772   2.973  -1.107
  442    HB   VAL  62           HB       VAL  62   0.944   2.766  -0.002
  443   HG11  VAL  62          1HG1      VAL  62   1.916   5.023   0.020
  444   HG12  VAL  62          2HG1      VAL  62   2.323   4.863  -1.710
  445   HG13  VAL  62          3HG1      VAL  62   0.634   4.885  -1.167
  446   HG21  VAL  62          1HG2      VAL  62   0.195   2.882  -2.377
  447   HG22  VAL  62          2HG2      VAL  62   1.870   2.567  -2.881
  448   HG23  VAL  62          3HG2      VAL  62   0.963   1.350  -1.960
  449    H    GLU  63           H        GLU  63   4.751   4.363   0.263
  450    HA   GLU  63           HA       GLU  63   4.460   3.891   3.199
  451    HB2  GLU  63          1HB       GLU  63   6.661   3.417   2.163
  452    HB3  GLU  63          2HB       GLU  63   6.746   5.127   1.688
  453    HG2  GLU  63          1HG       GLU  63   6.831   5.863   3.963
  454    HG3  GLU  63          2HG       GLU  63   6.377   4.271   4.579
  455    H    PHE  64           H        PHE  64   3.624   5.349   4.432
  456    HA   PHE  64           HA       PHE  64   3.012   8.058   3.390
  457    HB2  PHE  64          1HB       PHE  64   1.872   6.355   5.630
  458    HB3  PHE  64          2HB       PHE  64   1.466   8.047   5.395
  459    HD1  PHE  64          1HD       PHE  64   1.114   4.652   3.931
  460    HD2  PHE  64          2HD       PHE  64   0.196   8.839   3.519
  461    HE1  PHE  64          1HE       PHE  64  -0.623   4.100   2.239
  462    HE2  PHE  64          2HE       PHE  64  -1.532   8.283   1.806
  463    HZ   PHE  64           HZ       PHE  64  -1.977   5.937   1.214
  464    H    LEU  65           H        LEU  65   3.148   9.878   4.808
  465    HA   LEU  65           HA       LEU  65   5.643  10.191   6.100
  466    HB2  LEU  65          1HB       LEU  65   4.026  11.961   5.131
  467    HB3  LEU  65          2HB       LEU  65   3.147  11.820   6.660
  468    HG   LEU  65           HG       LEU  65   5.370  12.400   7.824
  469   HD11  LEU  65          1HD1      LEU  65   6.991  13.679   6.447
  470   HD12  LEU  65          2HD1      LEU  65   6.073  13.266   4.982
  471   HD13  LEU  65          3HD1      LEU  65   6.900  11.997   5.913
  472   HD21  LEU  65          1HD2      LEU  65   4.096  14.462   5.972
  473   HD22  LEU  65          2HD2      LEU  65   5.087  14.817   7.407
  474   HD23  LEU  65          3HD2      LEU  65   3.520  14.012   7.592
  475    H    SER  66           H        SER  66   2.538   9.157   7.456
  476    HA   SER  66           HA       SER  66   3.876   8.483  10.019
  477    HB2  SER  66          1HB       SER  66   1.258  10.026   9.945
  478    HB3  SER  66          2HB       SER  66   2.189   9.540  11.366
  479    HG   SER  66           HG       SER  66   3.882  10.933  10.646
  480    H    GLU  67           H        GLU  67   2.704   6.960  11.319
  481    HA   GLU  67           HA       GLU  67   1.568   4.822   9.837
  482    HB2  GLU  67          1HB       GLU  67   2.744   4.599  11.971
  483    HB3  GLU  67          2HB       GLU  67   1.404   5.406  12.816
  484    HG2  GLU  67          1HG       GLU  67  -0.122   3.561  12.093
  485    HG3  GLU  67          2HG       GLU  67   1.228   2.784  11.266
  486    H    GLU  68           H        GLU  68  -0.110   7.432  11.650
  487    HA   GLU  68           HA       GLU  68  -2.714   6.268  11.454
  488    HB2  GLU  68          1HB       GLU  68  -3.555   8.452  12.078
  489    HB3  GLU  68          2HB       GLU  68  -2.157   8.015  13.057
  490    HG2  GLU  68          1HG       GLU  68  -0.717   9.485  11.626
  491    HG3  GLU  68          2HG       GLU  68  -2.142   9.946  10.692
  492    H    ASP  69           H        ASP  69  -0.843   7.918   9.029
  493    HA   ASP  69           HA       ASP  69  -3.126   8.379   7.214
  494    HB2  ASP  69          1HB       ASP  69  -0.116   8.648   6.918
  495    HB3  ASP  69          2HB       ASP  69  -1.246   8.983   5.625
  496    H    ALA  70           H        ALA  70  -0.610   5.916   7.768
  497    HA   ALA  70           HA       ALA  70  -1.194   4.370   5.373
  498    HB1  ALA  70          1HB       ALA  70   0.985   4.339   6.549
  499    HB2  ALA  70          2HB       ALA  70   0.217   3.633   7.982
  500    HB3  ALA  70          3HB       ALA  70   0.278   2.717   6.474
  501    H    ASP  71           H        ASP  71  -2.122   4.125   8.828
  502    HA   ASP  71           HA       ASP  71  -3.698   1.787   8.660
  503    HB2  ASP  71          1HB       ASP  71  -2.793   3.321  10.665
  504    HB3  ASP  71          2HB       ASP  71  -4.429   3.960  10.598
  505    H    TYR  72           H        TYR  72  -4.525   5.116   7.860
  506    HA   TYR  72           HA       TYR  72  -7.375   4.598   7.434
  507    HB2  TYR  72          1HB       TYR  72  -6.445   6.815   8.107
  508    HB3  TYR  72          2HB       TYR  72  -5.615   6.911   6.551
  509    HD1  TYR  72          1HD       TYR  72  -6.694   8.076   4.831
  510    HD2  TYR  72          2HD       TYR  72  -9.079   6.306   7.951
  511    HE1  TYR  72          1HE       TYR  72  -8.747   9.043   3.800
  512    HE2  TYR  72          2HE       TYR  72 -11.138   7.267   6.917
  513    HH   TYR  72           HH       TYR  72 -11.024   9.268   3.946
  514    H    ALA  73           H        ALA  73  -4.443   4.677   5.331
  515    HA   ALA  73           HA       ALA  73  -5.863   4.555   2.832
  516    HB1  ALA  73          1HB       ALA  73  -3.101   3.470   3.507
  517    HB2  ALA  73          2HB       ALA  73  -3.738   3.930   1.911
  518    HB3  ALA  73          3HB       ALA  73  -3.459   5.169   3.149
  519    H    ILE  74           H        ILE  74  -4.722   2.051   5.074
  520    HA   ILE  74           HA       ILE  74  -5.568  -0.262   3.630
  521    HB   ILE  74           HB       ILE  74  -5.307   0.258   6.620
  522   HG12  ILE  74          1HG1      ILE  74  -3.336  -1.196   4.810
  523   HG13  ILE  74          2HG1      ILE  74  -3.258   0.547   5.034
  524   HG21  ILE  74          1HG2      ILE  74  -5.055  -2.251   6.812
  525   HG22  ILE  74          2HG2      ILE  74  -6.666  -1.767   6.293
  526   HG23  ILE  74          3HG2      ILE  74  -5.501  -2.381   5.108
  527   HD11  ILE  74          1HD1      ILE  74  -3.059  -1.447   7.307
  528   HD12  ILE  74          2HD1      ILE  74  -1.709  -0.624   6.504
  529   HD13  ILE  74          3HD1      ILE  74  -2.899   0.319   7.399
  530    H    LYS  75           H        LYS  75  -7.402   1.944   5.747
  531    HA   LYS  75           HA       LYS  75  -9.823   0.361   5.784
  532    HB2  LYS  75          1HB       LYS  75  -9.288   1.970   7.524
  533    HB3  LYS  75          2HB       LYS  75  -9.319   3.309   6.374
  534    HG2  LYS  75          1HG       LYS  75 -11.679   3.056   5.986
  535    HG3  LYS  75          2HG       LYS  75 -11.721   1.555   6.934
  536    HD2  LYS  75          1HD       LYS  75 -11.087   2.838   8.970
  537    HD3  LYS  75          2HD       LYS  75 -11.036   4.333   8.008
  538    HE2  LYS  75          1HE       LYS  75 -13.435   4.052   7.439
  539    HE3  LYS  75          2HE       LYS  75 -13.489   2.550   8.370
  540    HZ1  LYS  75          1HZ       LYS  75 -14.317   4.423   9.672
  541    HZ2  LYS  75          2HZ       LYS  75 -12.912   5.236   9.510
  542    HZ3  LYS  75          3HZ       LYS  75 -12.961   3.844  10.368
  543    H    ILE  76           H        ILE  76  -8.700   2.949   3.571
  544    HA   ILE  76           HA       ILE  76 -11.310   2.867   2.190
  545    HB   ILE  76           HB       ILE  76 -10.553   4.829   1.000
  546   HG12  ILE  76          1HG1      ILE  76  -8.080   4.963   2.733
  547   HG13  ILE  76          2HG1      ILE  76  -8.047   4.219   1.144
  548   HG21  ILE  76          1HG2      ILE  76 -10.173   5.102   4.018
  549   HG22  ILE  76          2HG2      ILE  76 -10.697   6.367   2.892
  550   HG23  ILE  76          3HG2      ILE  76 -11.743   4.975   3.196
  551   HD11  ILE  76          1HD1      ILE  76  -7.385   6.450   0.825
  552   HD12  ILE  76          2HD1      ILE  76  -9.035   6.360   0.218
  553   HD13  ILE  76          3HD1      ILE  76  -8.715   7.085   1.821
  554    H    MET  77           H        MET  77  -8.181   1.541   1.522
  555    HA   MET  77           HA       MET  77  -8.866   1.192  -1.370
  556    HB2  MET  77          1HB       MET  77  -6.297   1.088   0.170
  557    HB3  MET  77          2HB       MET  77  -6.389   0.630  -1.520
  558    HG2  MET  77          1HG       MET  77  -7.418   3.327  -0.633
  559    HG3  MET  77          2HG       MET  77  -5.723   3.075  -0.943
  560    HE1  MET  77          1HE       MET  77  -6.906   5.144  -3.938
  561    HE2  MET  77          2HE       MET  77  -6.579   5.215  -2.201
  562    HE3  MET  77          3HE       MET  77  -5.328   4.606  -3.324
  563    H    ASP  78           H        ASP  78  -9.230  -0.718   1.333
  564    HA   ASP  78           HA       ASP  78  -8.148  -3.207   0.211
  565    HB2  ASP  78          1HB       ASP  78  -8.004  -2.779   2.600
  566    HB3  ASP  78          2HB       ASP  78  -9.767  -2.736   2.728
  567    H    MET  79           H        MET  79  -9.197  -4.999  -0.504
  568    HA   MET  79           HA       MET  79 -10.621  -6.246  -1.630
  569    HB2  MET  79          1HB       MET  79 -11.707  -6.092   0.694
  570    HB3  MET  79          2HB       MET  79 -12.960  -5.124  -0.087
  571    HG2  MET  79          1HG       MET  79 -13.448  -6.990  -1.623
  572    HG3  MET  79          2HG       MET  79 -12.110  -7.924  -0.957
  573    HE1  MET  79          1HE       MET  79 -12.320  -7.690   2.195
  574    HE2  MET  79          2HE       MET  79 -13.381  -9.075   2.513
  575    HE3  MET  79          3HE       MET  79 -12.117  -9.196   1.271
  576    H    ILE  80           H        ILE  80 -10.267  -3.329  -2.452
  577    HA   ILE  80           HA       ILE  80 -12.493  -2.781  -4.271
  578    HB   ILE  80           HB       ILE  80 -10.036  -1.430  -3.200
  579   HG12  ILE  80          1HG1      ILE  80 -12.889  -0.445  -3.525
  580   HG13  ILE  80          2HG1      ILE  80 -12.417  -1.476  -2.188
  581   HG21  ILE  80          1HG2      ILE  80 -10.269   0.507  -4.620
  582   HG22  ILE  80          2HG2      ILE  80  -9.799  -0.906  -5.554
  583   HG23  ILE  80          3HG2      ILE  80 -11.492  -0.323  -5.616
  584   HD11  ILE  80          1HD1      ILE  80 -12.415   0.859  -1.507
  585   HD12  ILE  80          2HD1      ILE  80 -10.804   0.137  -1.388
  586   HD13  ILE  80          3HD1      ILE  80 -11.183   1.249  -2.722
  587    H    LYS  81           H        LYS  81 -12.260  -2.490  -6.548
  588    HA   LYS  81           HA       LYS  81 -10.420  -4.525  -7.707
  589    HB2  LYS  81          1HB       LYS  81 -13.112  -3.507  -8.666
  590    HB3  LYS  81          2HB       LYS  81 -12.110  -4.722  -9.472
  591    HG2  LYS  81          1HG       LYS  81 -12.232  -6.116  -7.340
  592    HG3  LYS  81          2HG       LYS  81 -13.402  -4.946  -6.722
  593    HD2  LYS  81          1HD       LYS  81 -14.721  -6.690  -7.583
  594    HD3  LYS  81          2HD       LYS  81 -14.797  -5.428  -8.821
  595    HE2  LYS  81          1HE       LYS  81 -12.906  -6.650 -10.028
  596    HE3  LYS  81          2HE       LYS  81 -13.056  -7.937  -8.830
  597    HZ1  LYS  81          1HZ       LYS  81 -15.357  -8.270  -9.555
  598    HZ2  LYS  81          2HZ       LYS  81 -14.349  -8.435 -10.827
  599    HZ3  LYS  81          3HZ       LYS  81 -15.234  -7.075 -10.661
  600    H    LEU  82           H        LEU  82  -8.702  -2.899  -7.669
  601    HA   LEU  82           HA       LEU  82  -8.629  -0.679  -9.467
  602    HB2  LEU  82          1HB       LEU  82  -6.984  -1.160  -7.632
  603    HB3  LEU  82          2HB       LEU  82  -6.363  -2.521  -8.561
  604    HG   LEU  82           HG       LEU  82  -5.517  -1.017 -10.292
  605   HD11  LEU  82          1HD1      LEU  82  -6.720   1.217  -8.599
  606   HD12  LEU  82          2HD1      LEU  82  -7.141   0.809 -10.280
  607   HD13  LEU  82          3HD1      LEU  82  -5.550   1.464  -9.910
  608   HD21  LEU  82          1HD2      LEU  82  -4.804  -0.053  -7.485
  609   HD22  LEU  82          2HD2      LEU  82  -3.803   0.130  -8.938
  610   HD23  LEU  82          3HD2      LEU  82  -4.129  -1.486  -8.287
  611    H    TYR  83           H        TYR  83  -8.439  -0.590 -11.738
  612    HA   TYR  83           HA       TYR  83  -9.042  -1.432 -13.766
  613    HB2  TYR  83          1HB       TYR  83  -6.580  -3.130 -13.280
  614    HB3  TYR  83          2HB       TYR  83  -7.287  -2.771 -14.844
  615    HD1  TYR  83          1HD       TYR  83  -7.655  -0.170 -15.373
  616    HD2  TYR  83          2HD       TYR  83  -4.748  -1.813 -12.642
  617    HE1  TYR  83          1HE       TYR  83  -6.234   1.849 -15.673
  618    HE2  TYR  83          2HE       TYR  83  -3.318   0.200 -12.965
  619    HH   TYR  83           HH       TYR  83  -4.282   2.902 -15.114
  620    H    GLY  84           H        GLY  84 -10.562  -2.952 -11.682
  621    HA2  GLY  84          1HA       GLY  84 -12.236  -4.523 -11.893
  622    HA3  GLY  84          2HA       GLY  84 -11.643  -4.960 -13.490
  623    H    LYS  85           H        LYS  85  -9.622  -5.159 -10.585
  624    HA   LYS  85           HA       LYS  85  -9.740  -8.085 -10.394
  625    HB2  LYS  85          1HB       LYS  85  -8.063  -7.473 -12.111
  626    HB3  LYS  85          2HB       LYS  85  -7.209  -6.471 -10.940
  627    HG2  LYS  85          1HG       LYS  85  -6.652  -8.405  -9.579
  628    HG3  LYS  85          2HG       LYS  85  -7.676  -9.468 -10.556
  629    HD2  LYS  85          1HD       LYS  85  -5.293  -7.941 -11.690
  630    HD3  LYS  85          2HD       LYS  85  -5.164  -9.577 -11.032
  631    HE2  LYS  85          1HE       LYS  85  -6.658 -10.488 -12.677
  632    HE3  LYS  85          2HE       LYS  85  -7.147  -8.889 -13.240
  633    HZ1  LYS  85          1HZ       LYS  85  -4.387  -9.931 -13.533
  634    HZ2  LYS  85          2HZ       LYS  85  -4.986  -8.522 -14.156
  635    HZ3  LYS  85          3HZ       LYS  85  -5.517  -9.957 -14.714
  636    HA   PRO  86           HA       PRO  86  -9.977  -6.220  -6.378
  637    HB2  PRO  86          1HB       PRO  86 -10.254  -8.418  -4.761
  638    HB3  PRO  86          2HB       PRO  86 -11.527  -7.778  -5.848
  639    HG2  PRO  86          1HG       PRO  86  -9.594 -10.048  -6.373
  640    HG3  PRO  86          2HG       PRO  86 -11.365 -10.007  -6.655
  641    HD2  PRO  86          1HD       PRO  86  -9.575  -9.551  -8.649
  642    HD3  PRO  86          2HD       PRO  86 -11.106  -8.619  -8.581
  643    H    ILE  87           H        ILE  87  -8.513  -5.267  -5.149
  644    HA   ILE  87           HA       ILE  87  -5.941  -6.614  -4.559
  645    HB   ILE  87           HB       ILE  87  -5.099  -4.420  -3.888
  646   HG12  ILE  87          1HG1      ILE  87  -7.494  -3.119  -5.213
  647   HG13  ILE  87          2HG1      ILE  87  -7.447  -3.373  -3.465
  648   HG21  ILE  87          1HG2      ILE  87  -4.697  -5.335  -6.114
  649   HG22  ILE  87          2HG2      ILE  87  -6.196  -4.612  -6.729
  650   HG23  ILE  87          3HG2      ILE  87  -4.855  -3.577  -6.213
  651   HD11  ILE  87          1HD1      ILE  87  -5.393  -2.012  -3.314
  652   HD12  ILE  87          2HD1      ILE  87  -5.442  -1.732  -5.071
  653   HD13  ILE  87          3HD1      ILE  87  -6.737  -1.113  -4.037
  654    H    ARG  88           H        ARG  88  -5.131  -6.901  -2.578
  655    HA   ARG  88           HA       ARG  88  -6.918  -6.528  -0.192
  656    HB2  ARG  88          1HB       ARG  88  -6.354  -8.900  -0.809
  657    HB3  ARG  88          2HB       ARG  88  -4.645  -8.503  -0.664
  658    HG2  ARG  88          1HG       ARG  88  -5.198  -9.595   1.343
  659    HG3  ARG  88          2HG       ARG  88  -5.096  -7.892   1.781
  660    HD2  ARG  88          1HD       ARG  88  -7.643  -7.793   1.574
  661    HD3  ARG  88          2HD       ARG  88  -7.625  -9.528   1.286
  662    HE   ARG  88           HE       ARG  88  -7.046  -9.936   3.533
  663   HH11  ARG  88          1HH1      ARG  88  -7.325  -6.457   3.047
  664   HH12  ARG  88          2HH1      ARG  88  -6.851  -6.115   4.679
  665   HH21  ARG  88          1HH2      ARG  88  -6.749  -9.418   5.670
  666   HH22  ARG  88          2HH2      ARG  88  -6.770  -7.741   6.164
  667    H    VAL  89           H        VAL  89  -6.252  -5.105   1.311
  668    HA   VAL  89           HA       VAL  89  -3.451  -4.066   1.166
  669    HB   VAL  89           HB       VAL  89  -5.918  -2.386   1.698
  670   HG11  VAL  89          1HG1      VAL  89  -4.379  -0.489   1.361
  671   HG12  VAL  89          2HG1      VAL  89  -3.835  -1.490   2.704
  672   HG13  VAL  89          3HG1      VAL  89  -3.018  -1.611   1.141
  673   HG21  VAL  89          1HG2      VAL  89  -5.425  -1.394  -0.550
  674   HG22  VAL  89          2HG2      VAL  89  -4.222  -2.670  -0.809
  675   HG23  VAL  89          3HG2      VAL  89  -5.944  -3.075  -0.661
  676    H    ASN  90           H        ASN  90  -2.343  -3.776   3.031
  677    HA   ASN  90           HA       ASN  90  -3.603  -3.712   5.669
  678    HB2  ASN  90          1HB       ASN  90  -3.594  -6.183   4.897
  679    HB3  ASN  90          2HB       ASN  90  -1.843  -6.083   4.971
  680   HD21  ASN  90          1HD2      ASN  90  -2.560  -7.998   6.452
  681   HD22  ASN  90          2HD2      ASN  90  -2.772  -7.557   8.153
  682    H    LYS  91           H        LYS  91  -1.691  -3.853   7.412
  683    HA   LYS  91           HA       LYS  91   0.371  -1.888   6.814
  684    HB2  LYS  91          1HB       LYS  91   0.293  -3.942   9.067
  685    HB3  LYS  91          2HB       LYS  91   1.260  -2.474   9.032
  686    HG2  LYS  91          1HG       LYS  91  -1.788  -2.490   9.072
  687    HG3  LYS  91          2HG       LYS  91  -0.807  -2.473  10.516
  688    HD2  LYS  91          1HD       LYS  91  -0.269  -0.334   8.460
  689    HD3  LYS  91          2HD       LYS  91  -1.759  -0.226   9.392
  690    HE2  LYS  91          1HE       LYS  91   0.963  -0.517  10.711
  691    HE3  LYS  91          2HE       LYS  91   0.244   1.041  10.287
  692    HZ1  LYS  91          1HZ       LYS  91  -0.932  -0.925  12.164
  693    HZ2  LYS  91          2HZ       LYS  91  -1.703   0.433  11.668
  694    HZ3  LYS  91          3HZ       LYS  91  -0.307   0.542  12.544
  695    H    ALA  92           H        ALA  92   2.558  -2.182   6.241
  696    HA   ALA  92           HA       ALA  92   3.263  -4.711   4.991
  697    HB1  ALA  92          1HB       ALA  92   3.931  -2.518   4.078
  698    HB2  ALA  92          2HB       ALA  92   4.959  -2.246   5.506
  699    HB3  ALA  92          3HB       ALA  92   5.327  -3.567   4.383
  700    H    SER  93           H        SER  93   3.365  -3.779   8.224
  701    HA   SER  93           HA       SER  93   5.524  -5.568   9.083
  702    HB2  SER  93          1HB       SER  93   4.712  -4.887  11.342
  703    HB3  SER  93          2HB       SER  93   5.117  -3.513  10.299
  704    HG   SER  93           HG       SER  93   3.165  -3.074  11.243
  705    H    ALA  94           H        ALA  94   2.391  -6.105   7.971
  706    HA   ALA  94           HA       ALA  94   2.050  -8.639   9.505
  707    HB1  ALA  94          1HB       ALA  94  -0.091  -6.556   8.875
  708    HB2  ALA  94          2HB       ALA  94  -0.335  -8.087   9.746
  709    HB3  ALA  94          3HB       ALA  94   0.656  -6.811  10.469
  710    H    HIS  95           H        HIS  95   0.121  -9.884   8.450
  711    HA   HIS  95           HA       HIS  95   0.345  -9.848   5.454
  712    HB2  HIS  95          1HB       HIS  95   0.229 -12.278   7.272
  713    HB3  HIS  95          2HB       HIS  95   0.098 -12.305   5.513
  714    HD2  HIS  95          2HD       HIS  95   2.660 -11.825   8.336
  715    HE1  HIS  95          1HE       HIS  95   4.882 -11.924   4.695
  716    HE2  HIS  95          2HE       HIS  95   5.056 -11.913   7.236
  717    H    ASN  96           H        ASN  96  -1.765 -11.504   7.853
  718    HA   ASN  96           HA       ASN  96  -4.124 -10.070   6.792
  719    HB2  ASN  96          1HB       ASN  96  -3.721 -12.233   5.469
  720    HB3  ASN  96          2HB       ASN  96  -4.026 -13.114   6.966
  721   HD21  ASN  96          1HD2      ASN  96  -5.788 -14.095   5.598
  722   HD22  ASN  96          2HD2      ASN  96  -7.304 -13.212   5.494
  723    H    LYS  97           H        LYS  97  -6.071 -10.439   8.169
  724    HA   LYS  97           HA       LYS  97  -5.370 -10.096  10.972
  725    HB2  LYS  97          1HB       LYS  97  -7.175  -8.834   9.714
  726    HB3  LYS  97          2HB       LYS  97  -8.144 -10.317   9.736
  727    HG2  LYS  97          1HG       LYS  97  -7.988 -10.293  12.260
  728    HG3  LYS  97          2HG       LYS  97  -7.079  -8.784  12.156
  729    HD2  LYS  97          1HD       LYS  97  -9.328  -8.232  12.712
  730    HD3  LYS  97          2HD       LYS  97  -9.077  -7.720  11.037
  731    HE2  LYS  97          1HE       LYS  97 -10.254  -9.713  10.213
  732    HE3  LYS  97          2HE       LYS  97 -10.350 -10.375  11.852
  733    HZ1  LYS  97          1HZ       LYS  97 -12.432  -9.295  11.153
  734    HZ2  LYS  97          2HZ       LYS  97 -11.677  -7.856  11.003
  735    HZ3  LYS  97          3HZ       LYS  97 -11.817  -8.572  12.471
  736    H    ASN  98           H        ASN  98  -5.489 -11.489  12.625
  737    HA   ASN  98           HA       ASN  98  -6.165 -14.328  12.048
  738    HB2  ASN  98          1HB       ASN  98  -3.870 -13.683  12.753
  739    HB3  ASN  98          2HB       ASN  98  -4.517 -13.056  14.272
  740   HD21  ASN  98          1HD2      ASN  98  -4.292 -16.071  12.304
  741   HD22  ASN  98          2HD2      ASN  98  -4.299 -17.128  13.708
  742    H    LEU  99           H        LEU  99  -7.322 -11.700  14.065
  743    HA   LEU  99           HA       LEU  99  -9.279 -13.506  15.419
  744    HB2  LEU  99          1HB       LEU  99  -7.618 -11.279  16.670
  745    HB3  LEU  99          2HB       LEU  99  -8.960 -12.084  17.470
  746    HG   LEU  99           HG       LEU  99  -6.393 -13.475  16.591
  747   HD11  LEU  99          1HD1      LEU  99  -6.021 -11.856  18.408
  748   HD12  LEU  99          2HD1      LEU  99  -5.859 -13.521  18.987
  749   HD13  LEU  99          3HD1      LEU  99  -7.335 -12.596  19.351
  750   HD21  LEU  99          1HD2      LEU  99  -7.189 -15.314  18.058
  751   HD22  LEU  99          2HD2      LEU  99  -8.291 -15.055  16.705
  752   HD23  LEU  99          3HD2      LEU  99  -8.719 -14.446  18.321
  753    H    SER 100           H        SER 100 -11.205 -12.457  16.183
  754    HA   SER 100           HA       SER 100 -11.789  -9.718  15.307
  755    HB2  SER 100          1HB       SER 100 -12.292 -11.404  13.365
  756    HB3  SER 100          2HB       SER 100 -13.686 -11.874  14.355
  757    HG   SER 100           HG       SER 100 -14.342 -10.198  13.039
  758    H    GLY 101           H        GLY 101 -14.030  -9.047  16.003
  759    HA2  GLY 101          1HA       GLY 101 -15.537 -10.457  17.963
  760    HA3  GLY 101          2HA       GLY 101 -14.351  -9.449  18.798
  761    HA   PRO 102           HA       PRO 102 -18.247  -6.994  17.747
  762    HB2  PRO 102          1HB       PRO 102 -19.217  -6.522  20.253
  763    HB3  PRO 102          2HB       PRO 102 -19.529  -8.045  19.366
  764    HG2  PRO 102          1HG       PRO 102 -17.370  -7.516  21.441
  765    HG3  PRO 102          2HG       PRO 102 -18.547  -8.870  21.394
  766    HD2  PRO 102          1HD       PRO 102 -16.019  -9.135  20.423
  767    HD3  PRO 102          2HD       PRO 102 -17.407  -9.919  19.608
  768    H    SER 103           H        SER 103 -18.657  -4.738  18.106
  769    HA   SER 103           HA       SER 103 -16.297  -3.146  18.312
  770    HB2  SER 103          1HB       SER 103 -19.201  -2.246  18.290
  771    HB3  SER 103          2HB       SER 103 -17.782  -1.263  17.881
  772    HG   SER 103           HG       SER 103 -18.825  -2.108  16.012
  773    H    SER 104           H        SER 104 -18.442  -4.145  20.821
  774    HA   SER 104           HA       SER 104 -16.996  -2.549  22.807
  775    HB2  SER 104          1HB       SER 104 -18.981  -1.141  22.055
  776    HB3  SER 104          2HB       SER 104 -20.033  -2.396  22.736
  777    HG   SER 104           HG       SER 104 -19.565  -0.676  24.221
  778    H    GLY 105           H        GLY 105 -17.550  -3.237  25.024
  779    HA2  GLY 105          1HA       GLY 105 -17.510  -6.134  25.298
  780    HA3  GLY 105          2HA       GLY 105 -17.447  -4.947  26.599
  Start of MODEL    2
    1    H1   GLY   1          1H        GLY   1  21.082   8.896   0.904
    2    H2   GLY   1          2H        GLY   1  21.211   9.136  -0.713
    3    H3   GLY   1          3H        GLY   1  20.921   7.634  -0.133
    4    HA2  GLY   1          1HA       GLY   1  18.763   8.305   0.708
    5    HA3  GLY   1          2HA       GLY   1  19.075   9.928   0.068
    6    H    SER   2           H        SER   2  16.863   9.141  -0.891
    7    HA   SER   2           HA       SER   2  16.738   7.163  -2.906
    8    HB2  SER   2          1HB       SER   2  14.571   8.224  -3.477
    9    HB3  SER   2          2HB       SER   2  14.779   7.923  -1.743
   10    HG   SER   2           HG       SER   2  13.953  10.038  -2.196
   11    H    SER   3           H        SER   3  18.043  10.366  -3.210
   12    HA   SER   3           HA       SER   3  17.797  10.735  -6.033
   13    HB2  SER   3          1HB       SER   3  20.020  11.674  -4.183
   14    HB3  SER   3          2HB       SER   3  19.607  12.345  -5.771
   15    HG   SER   3           HG       SER   3  18.698  13.577  -4.063
   16    H    GLY   4           H        GLY   4  19.716   8.409  -4.309
   17    HA2  GLY   4          1HA       GLY   4  21.913   8.085  -6.137
   18    HA3  GLY   4          2HA       GLY   4  21.300   6.875  -5.008
   19    H    SER   5           H        SER   5  22.247   6.493  -7.754
   20    HA   SER   5           HA       SER   5  20.320   6.450  -9.729
   21    HB2  SER   5          1HB       SER   5  22.624   4.486  -9.442
   22    HB3  SER   5          2HB       SER   5  21.802   4.947 -10.946
   23    HG   SER   5           HG       SER   5  23.753   6.123 -10.635
   24    H    SER   6           H        SER   6  20.708   3.973  -7.249
   25    HA   SER   6           HA       SER   6  18.969   2.019  -8.564
   26    HB2  SER   6          1HB       SER   6  19.973   2.105  -5.698
   27    HB3  SER   6          2HB       SER   6  19.289   0.705  -6.541
   28    HG   SER   6           HG       SER   6  21.073   0.735  -7.953
   29    H    GLY   7           H        GLY   7  18.219   4.893  -6.951
   30    HA2  GLY   7          1HA       GLY   7  16.401   5.742  -5.866
   31    HA3  GLY   7          2HA       GLY   7  15.435   4.463  -6.605
   32    HA   PRO   8           HA       PRO   8  16.903   2.184  -2.733
   33    HB2  PRO   8          1HB       PRO   8  18.662   3.185  -0.900
   34    HB3  PRO   8          2HB       PRO   8  19.179   2.452  -2.453
   35    HG2  PRO   8          1HG       PRO   8  18.748   5.397  -1.842
   36    HG3  PRO   8          2HG       PRO   8  20.197   4.630  -2.576
   37    HD2  PRO   8          1HD       PRO   8  18.284   5.761  -4.130
   38    HD3  PRO   8          2HD       PRO   8  19.069   4.225  -4.608
   39    H    ILE   9           H        ILE   9  15.959   1.871  -0.750
   40    HA   ILE   9           HA       ILE   9  14.193   3.994   0.280
   41    HB   ILE   9           HB       ILE   9  13.331   1.752  -0.309
   42   HG12  ILE   9          1HG1      ILE   9  12.933   2.387   2.640
   43   HG13  ILE   9          2HG1      ILE   9  12.213   3.302   1.316
   44   HG21  ILE   9          1HG2      ILE   9  13.732  -0.200   1.085
   45   HG22  ILE   9          2HG2      ILE   9  15.279   0.387   0.492
   46   HG23  ILE   9          3HG2      ILE   9  14.796   0.721   2.165
   47   HD11  ILE   9          1HD1      ILE   9  11.703   0.371   1.972
   48   HD12  ILE   9          2HD1      ILE   9  10.588   1.729   2.164
   49   HD13  ILE   9          3HD1      ILE   9  11.067   1.209   0.536
   50    H    SER  10           H        SER  10  14.066   4.563   2.517
   51    HA   SER  10           HA       SER  10  16.647   4.745   3.859
   52    HB2  SER  10          1HB       SER  10  15.353   6.206   5.426
   53    HB3  SER  10          2HB       SER  10  15.274   6.691   3.724
   54    HG   SER  10           HG       SER  10  13.204   6.741   4.549
   55    H    GLU  11           H        GLU  11  14.425   2.320   3.914
   56    HA   GLU  11           HA       GLU  11  13.832   0.634   5.270
   57    HB2  GLU  11          1HB       GLU  11  15.640  -0.677   6.097
   58    HB3  GLU  11          2HB       GLU  11  16.023   0.022   4.534
   59    HG2  GLU  11          1HG       GLU  11  17.523   1.655   5.549
   60    HG3  GLU  11          2HG       GLU  11  17.042   1.156   7.174
   61    H    ARG  12           H        ARG  12  13.146   3.065   6.541
   62    HA   ARG  12           HA       ARG  12  13.006   2.174   9.395
   63    HB2  ARG  12          1HB       ARG  12  13.188   4.492  10.120
   64    HB3  ARG  12          2HB       ARG  12  14.576   4.026   9.153
   65    HG2  ARG  12          1HG       ARG  12  14.173   6.119   8.297
   66    HG3  ARG  12          2HG       ARG  12  13.274   5.138   7.151
   67    HD2  ARG  12          1HD       ARG  12  11.202   5.636   8.703
   68    HD3  ARG  12          2HD       ARG  12  12.234   6.850   9.434
   69    HE   ARG  12           HE       ARG  12  12.047   8.170   7.517
   70   HH11  ARG  12          1HH1      ARG  12  10.665   4.980   6.680
   71   HH12  ARG  12          2HH1      ARG  12  10.058   5.674   5.174
   72   HH21  ARG  12          1HH2      ARG  12  11.114   8.786   5.523
   73   HH22  ARG  12          2HH2      ARG  12  10.252   7.537   4.612
   74    H    ASN  13           H        ASN  13  11.176   2.790  10.582
   75    HA   ASN  13           HA       ASN  13   8.962   2.746  10.954
   76    HB2  ASN  13          1HB       ASN  13   9.522   5.187  10.592
   77    HB3  ASN  13          2HB       ASN  13   8.797   5.049   8.988
   78   HD21  ASN  13          1HD2      ASN  13   7.582   6.892  10.312
   79   HD22  ASN  13          2HD2      ASN  13   6.129   6.336  11.125
   80    H    GLN  14           H        GLN  14   9.390   0.651   9.467
   81    HA   GLN  14           HA       GLN  14   7.909   0.302   7.091
   82    HB2  GLN  14          1HB       GLN  14   8.621  -1.624   9.348
   83    HB3  GLN  14          2HB       GLN  14   7.807  -2.111   7.865
   84    HG2  GLN  14          1HG       GLN  14  10.016  -2.649   7.481
   85    HG3  GLN  14          2HG       GLN  14   9.746  -1.191   6.540
   86   HE21  GLN  14          1HE2      GLN  14  12.301  -1.678   6.775
   87   HE22  GLN  14          2HE2      GLN  14  13.052  -0.683   8.028
   88    H    ASP  15           H        ASP  15   6.667   0.561  10.400
   89    HA   ASP  15           HA       ASP  15   4.040  -0.498   9.848
   90    HB2  ASP  15          1HB       ASP  15   5.216   1.265  12.015
   91    HB3  ASP  15          2HB       ASP  15   3.482   0.960  11.924
   92    H    ALA  16           H        ALA  16   5.482   2.628   9.118
   93    HA   ALA  16           HA       ALA  16   2.868   3.773   8.350
   94    HB1  ALA  16          1HB       ALA  16   4.152   5.766   7.813
   95    HB2  ALA  16          2HB       ALA  16   4.539   5.200   9.446
   96    HB3  ALA  16          3HB       ALA  16   5.680   4.905   8.110
   97    H    THR  17           H        THR  17   4.730   1.423   7.005
   98    HA   THR  17           HA       THR  17   4.079   2.234   4.207
   99    HB   THR  17           HB       THR  17   5.866  -0.055   5.070
  100    HG1  THR  17          1HG       THR  17   6.709   2.036   5.549
  101   HG21  THR  17          1HG2      THR  17   5.479   1.287   2.351
  102   HG22  THR  17          2HG2      THR  17   4.920  -0.343   2.794
  103   HG23  THR  17          3HG2      THR  17   6.651   0.016   2.718
  104    H    VAL  18           H        VAL  18   2.520   1.185   3.130
  105    HA   VAL  18           HA       VAL  18   1.152  -1.119   4.460
  106    HB   VAL  18           HB       VAL  18  -0.805  -0.687   3.172
  107   HG11  VAL  18          1HG1      VAL  18   0.161   1.942   4.363
  108   HG12  VAL  18          2HG1      VAL  18  -1.515   1.421   4.146
  109   HG13  VAL  18          3HG1      VAL  18  -0.467   0.569   5.300
  110   HG21  VAL  18          1HG2      VAL  18   0.156   0.239   1.079
  111   HG22  VAL  18          2HG2      VAL  18  -1.112   1.271   1.747
  112   HG23  VAL  18          3HG2      VAL  18   0.587   1.720   1.969
  113    H    TYR  19           H        TYR  19   0.668  -2.931   3.310
  114    HA   TYR  19           HA       TYR  19   2.243  -3.539   0.844
  115    HB2  TYR  19          1HB       TYR  19   2.664  -5.137   2.565
  116    HB3  TYR  19          2HB       TYR  19   0.978  -5.189   3.051
  117    HD1  TYR  19          1HD       TYR  19  -0.633  -6.611   1.979
  118    HD2  TYR  19          2HD       TYR  19   3.368  -6.268   0.401
  119    HE1  TYR  19          1HE       TYR  19  -1.041  -8.587   0.525
  120    HE2  TYR  19          2HE       TYR  19   2.966  -8.276  -1.025
  121    HH   TYR  19           HH       TYR  19  -0.141 -10.048  -1.002
  122    H    VAL  20           H        VAL  20   1.178  -4.101  -1.010
  123    HA   VAL  20           HA       VAL  20  -1.809  -4.213  -1.055
  124    HB   VAL  20           HB       VAL  20  -0.121  -2.808  -3.163
  125   HG11  VAL  20          1HG1      VAL  20  -2.341  -2.050  -3.973
  126   HG12  VAL  20          2HG1      VAL  20  -2.230  -3.819  -3.983
  127   HG13  VAL  20          3HG1      VAL  20  -3.134  -3.000  -2.703
  128   HG21  VAL  20          1HG2      VAL  20  -1.119  -0.702  -2.384
  129   HG22  VAL  20          2HG2      VAL  20  -1.843  -1.545  -0.993
  130   HG23  VAL  20          3HG2      VAL  20  -0.079  -1.408  -1.152
  131    H    GLY  21           H        GLY  21  -2.292  -6.235  -1.671
  132    HA2  GLY  21          1HA       GLY  21  -0.539  -7.679  -3.642
  133    HA3  GLY  21          2HA       GLY  21  -1.528  -8.449  -2.413
  134    H    GLY  22           H        GLY  22  -1.414  -8.595  -5.443
  135    HA2  GLY  22          1HA       GLY  22  -3.151  -9.617  -6.723
  136    HA3  GLY  22          2HA       GLY  22  -4.376  -8.702  -5.842
  137    H    LEU  23           H        LEU  23  -1.412  -7.395  -7.340
  138    HA   LEU  23           HA       LEU  23  -2.907  -5.188  -8.513
  139    HB2  LEU  23          1HB       LEU  23   0.036  -5.971  -8.622
  140    HB3  LEU  23          2HB       LEU  23  -0.629  -4.464  -9.242
  141    HG   LEU  23           HG       LEU  23  -0.584  -5.342  -6.320
  142   HD11  LEU  23          1HD1      LEU  23   1.593  -4.676  -7.291
  143   HD12  LEU  23          2HD1      LEU  23   1.016  -3.530  -6.063
  144   HD13  LEU  23          3HD1      LEU  23   0.894  -3.125  -7.788
  145   HD21  LEU  23          1HD2      LEU  23  -1.769  -2.891  -7.673
  146   HD22  LEU  23          2HD2      LEU  23  -1.271  -2.888  -5.975
  147   HD23  LEU  23          3HD2      LEU  23  -2.531  -4.003  -6.526
  148    H    ASP  24           H        ASP  24  -3.150  -4.695 -10.657
  149    HA   ASP  24           HA       ASP  24  -3.041  -6.949 -12.519
  150    HB2  ASP  24          1HB       ASP  24  -5.044  -5.475 -12.394
  151    HB3  ASP  24          2HB       ASP  24  -4.057  -4.097 -12.895
  152    H    GLU  25           H        GLU  25  -2.063  -6.745 -14.708
  153    HA   GLU  25           HA       GLU  25   0.652  -5.917 -14.654
  154    HB2  GLU  25          1HB       GLU  25   0.695  -6.495 -16.999
  155    HB3  GLU  25          2HB       GLU  25  -0.196  -7.704 -16.077
  156    HG2  GLU  25          1HG       GLU  25  -2.347  -6.707 -16.850
  157    HG3  GLU  25          2HG       GLU  25  -1.452  -5.496 -17.773
  158    H    LYS  26           H        LYS  26  -2.178  -3.983 -15.411
  159    HA   LYS  26           HA       LYS  26  -0.657  -1.827 -16.701
  160    HB2  LYS  26          1HB       LYS  26  -3.514  -2.003 -15.678
  161    HB3  LYS  26          2HB       LYS  26  -2.842  -0.624 -16.560
  162    HG2  LYS  26          1HG       LYS  26  -2.298  -2.105 -18.481
  163    HG3  LYS  26          2HG       LYS  26  -3.050  -3.467 -17.655
  164    HD2  LYS  26          1HD       LYS  26  -4.432  -0.891 -18.504
  165    HD3  LYS  26          2HD       LYS  26  -4.537  -2.437 -19.341
  166    HE2  LYS  26          1HE       LYS  26  -5.566  -1.849 -16.531
  167    HE3  LYS  26          2HE       LYS  26  -6.547  -1.956 -17.995
  168    HZ1  LYS  26          1HZ       LYS  26  -5.739  -4.309 -18.190
  169    HZ2  LYS  26          2HZ       LYS  26  -6.661  -4.047 -16.867
  170    HZ3  LYS  26          3HZ       LYS  26  -5.045  -4.167 -16.701
  171    H    VAL  27           H        VAL  27  -0.837  -2.730 -13.455
  172    HA   VAL  27           HA       VAL  27  -0.843  -0.043 -12.286
  173    HB   VAL  27           HB       VAL  27  -0.153  -2.737 -11.057
  174   HG11  VAL  27          1HG1      VAL  27   0.900  -0.944  -9.749
  175   HG12  VAL  27          2HG1      VAL  27  -0.629  -0.053  -9.697
  176   HG13  VAL  27          3HG1      VAL  27  -0.472  -1.622  -8.900
  177   HG21  VAL  27          1HG2      VAL  27  -2.524  -2.586 -11.747
  178   HG22  VAL  27          2HG2      VAL  27  -2.390  -2.526  -9.988
  179   HG23  VAL  27          3HG2      VAL  27  -2.687  -1.036 -10.901
  180    H    SER  28           H        SER  28   0.837   1.211 -11.697
  181    HA   SER  28           HA       SER  28   3.625   0.142 -11.767
  182    HB2  SER  28          1HB       SER  28   2.741   2.788 -12.986
  183    HB3  SER  28          2HB       SER  28   4.414   2.226 -12.814
  184    HG   SER  28           HG       SER  28   3.564   1.831 -14.914
  185    H    GLU  29           H        GLU  29   5.164   1.516 -10.495
  186    HA   GLU  29           HA       GLU  29   4.169   2.106  -7.937
  187    HB2  GLU  29          1HB       GLU  29   6.732   2.747  -9.410
  188    HB3  GLU  29          2HB       GLU  29   6.464   3.494  -7.847
  189    HG2  GLU  29          1HG       GLU  29   6.741   1.572  -6.682
  190    HG3  GLU  29          2HG       GLU  29   5.875   0.608  -7.853
  191    HA   PRO  30           HA       PRO  30   3.963   6.833  -8.948
  192    HB2  PRO  30          1HB       PRO  30   3.225   6.650 -11.871
  193    HB3  PRO  30          2HB       PRO  30   4.070   7.969 -11.000
  194    HG2  PRO  30          1HG       PRO  30   5.498   6.233 -12.493
  195    HG3  PRO  30          2HG       PRO  30   6.088   6.668 -10.852
  196    HD2  PRO  30          1HD       PRO  30   4.511   4.219 -11.693
  197    HD3  PRO  30          2HD       PRO  30   5.993   4.315 -10.698
  198    H    LEU  31           H        LEU  31   1.902   4.338 -10.432
  199    HA   LEU  31           HA       LEU  31  -0.598   5.805 -10.113
  200    HB2  LEU  31          1HB       LEU  31  -0.320   3.854 -11.695
  201    HB3  LEU  31          2HB       LEU  31  -0.113   2.799 -10.297
  202    HG   LEU  31           HG       LEU  31  -2.438   3.497  -9.489
  203   HD11  LEU  31          1HD1      LEU  31  -2.676   5.550 -10.806
  204   HD12  LEU  31          2HD1      LEU  31  -3.928   4.384 -11.256
  205   HD13  LEU  31          3HD1      LEU  31  -2.513   4.613 -12.317
  206   HD21  LEU  31          1HD2      LEU  31  -2.050   1.359 -10.536
  207   HD22  LEU  31          2HD2      LEU  31  -2.039   2.092 -12.160
  208   HD23  LEU  31          3HD2      LEU  31  -3.538   2.033 -11.213
  209    H    LEU  32           H        LEU  32   1.090   3.207  -8.281
  210    HA   LEU  32           HA       LEU  32  -0.770   3.179  -6.110
  211    HB2  LEU  32          1HB       LEU  32   2.217   2.527  -6.012
  212    HB3  LEU  32          2HB       LEU  32   0.997   2.079  -4.823
  213    HG   LEU  32           HG       LEU  32   1.326   1.001  -7.616
  214   HD11  LEU  32          1HD1      LEU  32   1.545  -1.114  -6.413
  215   HD12  LEU  32          2HD1      LEU  32   1.209  -0.306  -4.862
  216   HD13  LEU  32          3HD1      LEU  32   2.703   0.068  -5.762
  217   HD21  LEU  32          1HD2      LEU  32  -1.065   1.228  -7.349
  218   HD22  LEU  32          2HD2      LEU  32  -0.989   0.663  -5.658
  219   HD23  LEU  32          3HD2      LEU  32  -0.674  -0.464  -6.985
  220    H    TRP  33           H        TRP  33   1.859   5.374  -6.782
  221    HA   TRP  33           HA       TRP  33   1.815   6.643  -4.177
  222    HB2  TRP  33          1HB       TRP  33   3.623   6.687  -6.003
  223    HB3  TRP  33          2HB       TRP  33   2.677   7.919  -6.801
  224    HD1  TRP  33           HD       TRP  33   1.958   9.709  -4.208
  225    HE1  TRP  33          1HE       TRP  33   3.833  11.011  -3.005
  226    HE3  TRP  33          3HE       TRP  33   5.955   7.093  -5.951
  227    HZ2  TRP  33          2HZ       TRP  33   6.725  10.945  -2.877
  228    HZ3  TRP  33          3HZ       TRP  33   8.290   7.720  -5.280
  229    HH2  TRP  33           HH       TRP  33   8.670   9.643  -3.748
  230    H    GLU  34           H        GLU  34   0.632   7.912  -7.321
  231    HA   GLU  34           HA       GLU  34  -0.779  10.073  -6.114
  232    HB2  GLU  34          1HB       GLU  34  -1.066   8.823  -8.883
  233    HB3  GLU  34          2HB       GLU  34  -1.815  10.345  -8.375
  234    HG2  GLU  34          1HG       GLU  34   0.478  11.178  -7.740
  235    HG3  GLU  34          2HG       GLU  34   1.172   9.767  -8.526
  236    H    LEU  35           H        LEU  35  -1.957   6.840  -6.888
  237    HA   LEU  35           HA       LEU  35  -4.761   7.420  -6.499
  238    HB2  LEU  35          1HB       LEU  35  -3.605   5.365  -7.634
  239    HB3  LEU  35          2HB       LEU  35  -3.405   4.762  -5.985
  240    HG   LEU  35           HG       LEU  35  -5.973   5.087  -5.800
  241   HD11  LEU  35          1HD1      LEU  35  -6.294   6.386  -7.875
  242   HD12  LEU  35          2HD1      LEU  35  -7.205   4.868  -7.909
  243   HD13  LEU  35          3HD1      LEU  35  -5.689   5.010  -8.825
  244   HD21  LEU  35          1HD2      LEU  35  -6.364   2.864  -6.761
  245   HD22  LEU  35          2HD2      LEU  35  -4.866   2.915  -5.824
  246   HD23  LEU  35          3HD2      LEU  35  -4.794   2.951  -7.602
  247    H    PHE  36           H        PHE  36  -2.118   6.654  -4.251
  248    HA   PHE  36           HA       PHE  36  -3.962   6.166  -1.995
  249    HB2  PHE  36          1HB       PHE  36  -1.026   5.787  -2.501
  250    HB3  PHE  36          2HB       PHE  36  -1.611   5.812  -0.887
  251    HD1  PHE  36          1HD       PHE  36  -2.364   4.064  -4.151
  252    HD2  PHE  36          2HD       PHE  36  -2.284   3.814   0.140
  253    HE1  PHE  36          1HE       PHE  36  -3.006   1.672  -4.283
  254    HE2  PHE  36          2HE       PHE  36  -2.961   1.430   0.015
  255    HZ   PHE  36           HZ       PHE  36  -3.347   0.362  -2.197
  256    H    LEU  37           H        LEU  37  -2.255   8.884  -3.272
  257    HA   LEU  37           HA       LEU  37  -1.935  10.499  -0.981
  258    HB2  LEU  37          1HB       LEU  37  -2.786  11.132  -3.830
  259    HB3  LEU  37          2HB       LEU  37  -2.504  12.388  -2.632
  260    HG   LEU  37           HG       LEU  37  -0.403  10.431  -3.609
  261   HD11  LEU  37          1HD1      LEU  37   0.580  12.380  -4.691
  262   HD12  LEU  37          2HD1      LEU  37  -0.709  13.425  -4.051
  263   HD13  LEU  37          3HD1      LEU  37  -1.090  12.179  -5.255
  264   HD21  LEU  37          1HD2      LEU  37   1.174  11.911  -2.369
  265   HD22  LEU  37          2HD2      LEU  37   0.047  11.062  -1.301
  266   HD23  LEU  37          3HD2      LEU  37  -0.223  12.774  -1.675
  267    H    GLN  38           H        GLN  38  -4.877   9.328  -2.268
  268    HA   GLN  38           HA       GLN  38  -6.752  11.228  -1.188
  269    HB2  GLN  38          1HB       GLN  38  -7.131   8.232  -1.629
  270    HB3  GLN  38          2HB       GLN  38  -8.403   9.454  -1.479
  271    HG2  GLN  38          1HG       GLN  38  -7.511  10.563  -3.561
  272    HG3  GLN  38          2HG       GLN  38  -6.336   9.237  -3.685
  273   HE21  GLN  38          1HE2      GLN  38  -7.046   7.160  -4.354
  274   HE22  GLN  38          2HE2      GLN  38  -8.674   6.908  -5.007
  275    H    ALA  39           H        ALA  39  -5.043   8.468   0.244
  276    HA   ALA  39           HA       ALA  39  -6.626   8.478   2.715
  277    HB1  ALA  39          1HB       ALA  39  -5.622   6.398   1.833
  278    HB2  ALA  39          2HB       ALA  39  -4.007   7.106   1.974
  279    HB3  ALA  39          3HB       ALA  39  -4.959   6.793   3.434
  280    H    GLY  40           H        GLY  40  -3.324   9.495   1.782
  281    HA2  GLY  40          1HA       GLY  40  -3.226  11.781   3.492
  282    HA3  GLY  40          2HA       GLY  40  -2.426  10.419   4.283
  283    HA   PRO  41           HA       PRO  41   0.561  12.648   1.420
  284    HB2  PRO  41          1HB       PRO  41   2.565  13.132   3.235
  285    HB3  PRO  41          2HB       PRO  41   1.154  14.205   2.995
  286    HG2  PRO  41          1HG       PRO  41   1.499  12.040   5.092
  287    HG3  PRO  41          2HG       PRO  41   0.977  13.735   5.334
  288    HD2  PRO  41          1HD       PRO  41  -0.790  11.678   5.137
  289    HD3  PRO  41          2HD       PRO  41  -1.177  13.255   4.390
  290    H    VAL  42           H        VAL  42   1.262  11.080   0.151
  291    HA   VAL  42           HA       VAL  42   2.719   8.713   1.145
  292    HB   VAL  42           HB       VAL  42   1.975   9.507  -1.686
  293   HG11  VAL  42          1HG1      VAL  42   2.559   7.130  -2.208
  294   HG12  VAL  42          2HG1      VAL  42   3.964   8.064  -1.718
  295   HG13  VAL  42          3HG1      VAL  42   3.205   6.947  -0.569
  296   HG21  VAL  42          1HG2      VAL  42   0.334   7.691  -1.546
  297   HG22  VAL  42          2HG2      VAL  42   0.786   7.385   0.144
  298   HG23  VAL  42          3HG2      VAL  42  -0.007   8.906  -0.315
  299    H    VAL  43           H        VAL  43   4.785   8.486   1.140
  300    HA   VAL  43           HA       VAL  43   6.559  10.767   0.418
  301    HB   VAL  43           HB       VAL  43   7.119   8.433   2.289
  302   HG11  VAL  43          1HG1      VAL  43   8.674  10.035   3.371
  303   HG12  VAL  43          2HG1      VAL  43   9.115   9.743   1.681
  304   HG13  VAL  43          3HG1      VAL  43   8.281  11.251   2.142
  305   HG21  VAL  43          1HG2      VAL  43   5.116   9.516   3.147
  306   HG22  VAL  43          2HG2      VAL  43   6.499   9.925   4.157
  307   HG23  VAL  43          3HG2      VAL  43   5.870  11.120   2.996
  308    H    ASN  44           H        ASN  44   6.126   7.302  -0.093
  309    HA   ASN  44           HA       ASN  44   8.021   7.163  -2.302
  310    HB2  ASN  44          1HB       ASN  44   9.613   7.086  -0.485
  311    HB3  ASN  44          2HB       ASN  44   8.622   5.982   0.432
  312   HD21  ASN  44          1HD2      ASN  44   9.749   4.126   0.621
  313   HD22  ASN  44          2HD2      ASN  44  10.482   3.286  -0.758
  314    H    THR  45           H        THR  45   8.095   4.878  -3.182
  315    HA   THR  45           HA       THR  45   5.880   3.062  -2.456
  316    HB   THR  45           HB       THR  45   5.454   2.746  -4.998
  317    HG1  THR  45          1HG       THR  45   6.484   5.365  -4.929
  318   HG21  THR  45          1HG2      THR  45   4.335   5.277  -3.766
  319   HG22  THR  45          2HG2      THR  45   3.759   3.624  -3.436
  320   HG23  THR  45          3HG2      THR  45   3.649   4.264  -5.069
  321    H    HIS  46           H        HIS  46   6.162   0.894  -3.288
  322    HA   HIS  46           HA       HIS  46   8.716   0.293  -4.680
  323    HB2  HIS  46          1HB       HIS  46   9.076   0.123  -2.141
  324    HB3  HIS  46          2HB       HIS  46   7.858  -1.123  -2.132
  325    HD2  HIS  46          2HD       HIS  46   9.698  -2.858  -1.202
  326    HE1  HIS  46          1HE       HIS  46  11.850  -3.288  -4.861
  327    HE2  HIS  46          2HE       HIS  46  11.519  -4.235  -2.518
  328    H    MET  47           H        MET  47   8.471  -1.334  -6.161
  329    HA   MET  47           HA       MET  47   6.330  -3.362  -5.785
  330    HB2  MET  47          1HB       MET  47   6.611  -1.681  -8.289
  331    HB3  MET  47          2HB       MET  47   5.869  -3.280  -8.274
  332    HG2  MET  47          1HG       MET  47   4.184  -2.588  -6.701
  333    HG3  MET  47          2HG       MET  47   4.939  -1.010  -6.488
  334    HE1  MET  47          1HE       MET  47   4.292  -2.841 -10.024
  335    HE2  MET  47          2HE       MET  47   3.104  -3.411  -8.826
  336    HE3  MET  47          3HE       MET  47   2.587  -2.398 -10.198
  337    HA   PRO  48           HA       PRO  48  10.312  -5.428  -6.567
  338    HB2  PRO  48          1HB       PRO  48   8.476  -7.718  -5.815
  339    HB3  PRO  48          2HB       PRO  48  10.206  -7.479  -5.397
  340    HG2  PRO  48          1HG       PRO  48   8.330  -6.853  -3.579
  341    HG3  PRO  48          2HG       PRO  48   9.650  -5.686  -3.886
  342    HD2  PRO  48          1HD       PRO  48   6.825  -5.658  -4.995
  343    HD3  PRO  48          2HD       PRO  48   7.764  -4.307  -4.279
  344    H    LYS  49           H        LYS  49  11.103  -6.394  -8.381
  345    HA   LYS  49           HA       LYS  49   9.186  -6.976 -10.592
  346    HB2  LYS  49          1HB       LYS  49  12.082  -6.106 -10.821
  347    HB3  LYS  49          2HB       LYS  49  10.928  -6.299 -12.134
  348    HG2  LYS  49          1HG       LYS  49  10.887  -4.174  -9.960
  349    HG3  LYS  49          2HG       LYS  49  11.278  -3.960 -11.667
  350    HD2  LYS  49          1HD       LYS  49   8.907  -4.698 -12.220
  351    HD3  LYS  49          2HD       LYS  49   8.549  -4.630 -10.490
  352    HE2  LYS  49          1HE       LYS  49   9.390  -2.320 -12.298
  353    HE3  LYS  49          2HE       LYS  49   7.804  -2.590 -11.571
  354    HZ1  LYS  49          1HZ       LYS  49   9.023  -2.422  -9.362
  355    HZ2  LYS  49          2HZ       LYS  49   8.845  -1.016 -10.176
  356    HZ3  LYS  49          3HZ       LYS  49  10.289  -1.796 -10.182
  357    H    ASP  50           H        ASP  50   9.440  -8.624 -11.974
  358    HA   ASP  50           HA       ASP  50  10.612 -11.086 -11.009
  359    HB2  ASP  50          1HB       ASP  50   8.480 -10.958 -12.267
  360    HB3  ASP  50          2HB       ASP  50   9.343 -10.336 -13.671
  361    H    ARG  51           H        ARG  51  12.240 -12.361 -12.001
  362    HA   ARG  51           HA       ARG  51  14.483 -10.740 -12.985
  363    HB2  ARG  51          1HB       ARG  51  15.893 -12.560 -12.274
  364    HB3  ARG  51          2HB       ARG  51  14.741 -12.159 -11.003
  365    HG2  ARG  51          1HG       ARG  51  13.340 -14.121 -11.641
  366    HG3  ARG  51          2HG       ARG  51  14.490 -14.515 -12.935
  367    HD2  ARG  51          1HD       ARG  51  16.286 -14.798 -11.258
  368    HD3  ARG  51          2HD       ARG  51  15.134 -14.411  -9.961
  369    HE   ARG  51           HE       ARG  51  14.043 -16.550 -11.473
  370   HH11  ARG  51          1HH1      ARG  51  16.766 -16.076  -9.319
  371   HH12  ARG  51          2HH1      ARG  51  16.789 -17.750  -8.832
  372   HH21  ARG  51          1HH2      ARG  51  14.128 -18.668 -10.809
  373   HH22  ARG  51          2HH2      ARG  51  15.330 -19.172  -9.657
  374    H    VAL  52           H        VAL  52  12.209 -12.342 -14.745
  375    HA   VAL  52           HA       VAL  52  14.120 -12.753 -17.020
  376    HB   VAL  52           HB       VAL  52  12.645 -14.693 -17.736
  377   HG11  VAL  52          1HG1      VAL  52  14.970 -14.965 -16.931
  378   HG12  VAL  52          2HG1      VAL  52  14.375 -15.112 -15.263
  379   HG13  VAL  52          3HG1      VAL  52  13.947 -16.337 -16.475
  380   HG21  VAL  52          1HG2      VAL  52  10.803 -14.417 -16.144
  381   HG22  VAL  52          2HG2      VAL  52  11.523 -16.029 -16.074
  382   HG23  VAL  52          3HG2      VAL  52  11.886 -14.844 -14.803
  383    H    THR  53           H        THR  53  10.855 -12.004 -15.948
  384    HA   THR  53           HA       THR  53  10.111 -11.201 -18.706
  385    HB   THR  53           HB       THR  53   7.791 -11.064 -17.839
  386    HG1  THR  53          1HG       THR  53   8.962 -12.200 -15.522
  387   HG21  THR  53          1HG2      THR  53   8.491 -13.095 -18.971
  388   HG22  THR  53          2HG2      THR  53   7.451 -13.518 -17.596
  389   HG23  THR  53          3HG2      THR  53   9.213 -13.742 -17.491
  390    H    GLY  54           H        GLY  54  10.984  -9.933 -15.620
  391    HA2  GLY  54          1HA       GLY  54  11.536  -7.854 -14.969
  392    HA3  GLY  54          2HA       GLY  54  11.310  -7.328 -16.636
  393    H    GLN  55           H        GLN  55   8.379  -8.576 -15.634
  394    HA   GLN  55           HA       GLN  55   7.135  -5.962 -15.096
  395    HB2  GLN  55          1HB       GLN  55   5.050  -7.286 -14.941
  396    HB3  GLN  55          2HB       GLN  55   5.884  -7.485 -16.474
  397    HG2  GLN  55          1HG       GLN  55   6.484  -9.692 -16.050
  398    HG3  GLN  55          2HG       GLN  55   6.415  -9.524 -14.300
  399   HE21  GLN  55          1HE2      GLN  55   4.235  -9.387 -13.254
  400   HE22  GLN  55          2HE2      GLN  55   2.883 -10.137 -14.100
  401    H    HIS  56           H        HIS  56   5.540  -5.885 -13.145
  402    HA   HIS  56           HA       HIS  56   6.994  -6.467 -10.694
  403    HB2  HIS  56          1HB       HIS  56   5.190  -5.479  -9.528
  404    HB3  HIS  56          2HB       HIS  56   5.522  -4.501 -10.952
  405    HD2  HIS  56          2HD       HIS  56   3.446  -3.972 -12.484
  406    HE1  HIS  56          1HE       HIS  56   0.659  -6.724 -10.811
  407    HE2  HIS  56          2HE       HIS  56   0.929  -4.778 -12.406
  408    H    GLN  57           H        GLN  57   6.265  -7.785  -8.954
  409    HA   GLN  57           HA       GLN  57   5.556 -10.450  -9.918
  410    HB2  GLN  57          1HB       GLN  57   6.556  -9.430  -7.241
  411    HB3  GLN  57          2HB       GLN  57   6.285 -11.137  -7.625
  412    HG2  GLN  57          1HG       GLN  57   7.909 -11.002  -9.488
  413    HG3  GLN  57          2HG       GLN  57   8.222  -9.310  -9.107
  414   HE21  GLN  57          1HE2      GLN  57   8.504 -12.651  -7.784
  415   HE22  GLN  57          2HE2      GLN  57   9.795 -12.227  -6.668
  416    H    GLY  58           H        GLY  58   3.348  -8.331  -9.562
  417    HA2  GLY  58          1HA       GLY  58   1.059  -8.663  -9.311
  418    HA3  GLY  58          2HA       GLY  58   1.340 -10.150  -8.410
  419    H    TYR  59           H        TYR  59   3.265  -7.799  -6.991
  420    HA   TYR  59           HA       TYR  59   1.188  -6.612  -5.278
  421    HB2  TYR  59          1HB       TYR  59   2.159  -7.370  -3.222
  422    HB3  TYR  59          2HB       TYR  59   1.712  -8.754  -4.193
  423    HD1  TYR  59          1HD       TYR  59   3.477 -10.140  -5.316
  424    HD2  TYR  59          2HD       TYR  59   4.462  -6.958  -2.571
  425    HE1  TYR  59          1HE       TYR  59   5.774 -11.068  -5.062
  426    HE2  TYR  59          2HE       TYR  59   6.729  -7.928  -2.266
  427    HH   TYR  59           HH       TYR  59   8.196  -9.590  -2.870
  428    H    GLY  60           H        GLY  60   1.985  -4.988  -3.835
  429    HA2  GLY  60          1HA       GLY  60   4.595  -3.710  -4.389
  430    HA3  GLY  60          2HA       GLY  60   3.135  -2.831  -4.849
  431    H    PHE  61           H        PHE  61   4.469  -1.440  -3.254
  432    HA   PHE  61           HA       PHE  61   3.070  -1.505  -0.656
  433    HB2  PHE  61          1HB       PHE  61   6.053  -1.021  -0.965
  434    HB3  PHE  61          2HB       PHE  61   5.153  -0.948   0.520
  435    HD1  PHE  61          1HD       PHE  61   4.605  -2.942   1.785
  436    HD2  PHE  61          2HD       PHE  61   6.560  -3.224  -2.047
  437    HE1  PHE  61          1HE       PHE  61   5.216  -5.305   2.267
  438    HE2  PHE  61          2HE       PHE  61   7.153  -5.587  -1.571
  439    HZ   PHE  61           HZ       PHE  61   6.479  -6.633   0.586
  440    H    VAL  62           H        VAL  62   2.892   0.510   0.366
  441    HA   VAL  62           HA       VAL  62   3.783   2.941  -1.129
  442    HB   VAL  62           HB       VAL  62   1.000   2.702   0.070
  443   HG11  VAL  62          1HG1      VAL  62   2.313   4.783  -1.712
  444   HG12  VAL  62          2HG1      VAL  62   0.624   4.786  -1.179
  445   HG13  VAL  62          3HG1      VAL  62   1.903   4.980   0.012
  446   HG21  VAL  62          1HG2      VAL  62   1.011   1.236  -1.863
  447   HG22  VAL  62          2HG2      VAL  62   0.190   2.735  -2.292
  448   HG23  VAL  62          3HG2      VAL  62   1.863   2.465  -2.824
  449    H    GLU  63           H        GLU  63   4.751   4.406   0.147
  450    HA   GLU  63           HA       GLU  63   4.821   3.888   3.085
  451    HB2  GLU  63          1HB       GLU  63   6.904   3.742   1.727
  452    HB3  GLU  63          2HB       GLU  63   6.687   5.449   1.298
  453    HG2  GLU  63          1HG       GLU  63   6.824   6.077   3.685
  454    HG3  GLU  63          2HG       GLU  63   7.079   4.386   4.121
  455    H    PHE  64           H        PHE  64   3.669   5.203   4.344
  456    HA   PHE  64           HA       PHE  64   2.928   7.931   3.430
  457    HB2  PHE  64          1HB       PHE  64   1.862   6.107   5.607
  458    HB3  PHE  64          2HB       PHE  64   1.421   7.797   5.458
  459    HD1  PHE  64          1HD       PHE  64   0.145   8.659   3.593
  460    HD2  PHE  64          2HD       PHE  64   1.069   4.463   3.895
  461    HE1  PHE  64          1HE       PHE  64  -1.591   8.146   1.875
  462    HE2  PHE  64          2HE       PHE  64  -0.670   3.956   2.188
  463    HZ   PHE  64           HZ       PHE  64  -2.022   5.818   1.208
  464    H    LEU  65           H        LEU  65   3.035   9.689   4.915
  465    HA   LEU  65           HA       LEU  65   5.545  10.013   6.190
  466    HB2  LEU  65          1HB       LEU  65   3.894  11.771   5.264
  467    HB3  LEU  65          2HB       LEU  65   3.012  11.575   6.785
  468    HG   LEU  65           HG       LEU  65   5.210  12.194   7.973
  469   HD11  LEU  65          1HD1      LEU  65   6.812  13.531   6.629
  470   HD12  LEU  65          2HD1      LEU  65   5.925  13.106   5.149
  471   HD13  LEU  65          3HD1      LEU  65   6.771  11.851   6.082
  472   HD21  LEU  65          1HD2      LEU  65   4.862  14.611   7.587
  473   HD22  LEU  65          2HD2      LEU  65   3.316  13.760   7.732
  474   HD23  LEU  65          3HD2      LEU  65   3.909  14.248   6.129
  475    H    SER  66           H        SER  66   2.445   8.948   7.539
  476    HA   SER  66           HA       SER  66   3.766   8.240  10.105
  477    HB2  SER  66          1HB       SER  66   1.143   9.768   9.992
  478    HB3  SER  66          2HB       SER  66   2.031   9.256  11.431
  479    HG   SER  66           HG       SER  66   2.362  11.475  10.941
  480    H    GLU  67           H        GLU  67   2.578   6.714  11.387
  481    HA   GLU  67           HA       GLU  67   1.426   4.583   9.891
  482    HB2  GLU  67          1HB       GLU  67   2.639   4.323  11.998
  483    HB3  GLU  67          2HB       GLU  67   1.333   5.151  12.874
  484    HG2  GLU  67          1HG       GLU  67  -0.238   3.343  12.255
  485    HG3  GLU  67          2HG       GLU  67   1.015   2.567  11.284
  486    H    GLU  68           H        GLU  68  -0.198   7.243  11.658
  487    HA   GLU  68           HA       GLU  68  -2.828   6.097  11.477
  488    HB2  GLU  68          1HB       GLU  68  -3.643   8.282  12.117
  489    HB3  GLU  68          2HB       GLU  68  -2.247   7.832  13.095
  490    HG2  GLU  68          1HG       GLU  68  -0.800   9.292  11.652
  491    HG3  GLU  68          2HG       GLU  68  -2.232   9.775  10.740
  492    H    ASP  69           H        ASP  69  -0.909   7.739   9.081
  493    HA   ASP  69           HA       ASP  69  -3.178   8.215   7.247
  494    HB2  ASP  69          1HB       ASP  69  -0.167   8.489   6.953
  495    HB3  ASP  69          2HB       ASP  69  -1.315   8.861   5.682
  496    H    ALA  70           H        ALA  70  -0.652   5.778   7.817
  497    HA   ALA  70           HA       ALA  70  -1.201   4.212   5.436
  498    HB1  ALA  70          1HB       ALA  70   0.151   3.517   8.094
  499    HB2  ALA  70          2HB       ALA  70   0.185   2.517   6.642
  500    HB3  ALA  70          3HB       ALA  70   0.956   4.112   6.628
  501    H    ASP  71           H        ASP  71  -2.251   3.986   8.871
  502    HA   ASP  71           HA       ASP  71  -3.935   1.737   8.694
  503    HB2  ASP  71          1HB       ASP  71  -3.222   2.849  10.772
  504    HB3  ASP  71          2HB       ASP  71  -4.221   4.249  10.381
  505    H    TYR  72           H        TYR  72  -4.643   5.126   7.815
  506    HA   TYR  72           HA       TYR  72  -7.448   4.657   7.256
  507    HB2  TYR  72          1HB       TYR  72  -6.354   6.881   7.798
  508    HB3  TYR  72          2HB       TYR  72  -5.703   6.887   6.164
  509    HD1  TYR  72          1HD       TYR  72  -7.319   6.926   4.192
  510    HD2  TYR  72          2HD       TYR  72  -8.652   7.393   8.265
  511    HE1  TYR  72          1HE       TYR  72  -9.463   7.903   3.377
  512    HE2  TYR  72          2HE       TYR  72 -10.805   8.342   7.450
  513    HH   TYR  72           HH       TYR  72 -12.052   8.946   5.625
  514    H    ALA  73           H        ALA  73  -4.464   4.506   5.230
  515    HA   ALA  73           HA       ALA  73  -5.892   4.163   2.736
  516    HB1  ALA  73          1HB       ALA  73  -3.066   3.319   3.521
  517    HB2  ALA  73          2HB       ALA  73  -3.715   3.499   1.877
  518    HB3  ALA  73          3HB       ALA  73  -3.532   4.922   2.918
  519    H    ILE  74           H        ILE  74  -4.688   1.877   5.205
  520    HA   ILE  74           HA       ILE  74  -5.486  -0.543   3.870
  521    HB   ILE  74           HB       ILE  74  -5.264   0.065   6.847
  522   HG12  ILE  74          1HG1      ILE  74  -3.213  -1.327   5.073
  523   HG13  ILE  74          2HG1      ILE  74  -3.179   0.405   5.345
  524   HG21  ILE  74          1HG2      ILE  74  -4.945  -2.445   7.048
  525   HG22  ILE  74          2HG2      ILE  74  -6.557  -2.000   6.498
  526   HG23  ILE  74          3HG2      ILE  74  -5.359  -2.583   5.334
  527   HD11  ILE  74          1HD1      ILE  74  -2.928  -1.677   7.537
  528   HD12  ILE  74          2HD1      ILE  74  -1.632  -0.709   6.817
  529   HD13  ILE  74          3HD1      ILE  74  -2.901   0.089   7.749
  530    H    LYS  75           H        LYS  75  -7.316   1.782   5.854
  531    HA   LYS  75           HA       LYS  75  -9.732   0.213   6.014
  532    HB2  LYS  75          1HB       LYS  75  -9.194   2.010   7.587
  533    HB3  LYS  75          2HB       LYS  75  -9.301   3.216   6.303
  534    HG2  LYS  75          1HG       LYS  75 -11.673   2.763   5.979
  535    HG3  LYS  75          2HG       LYS  75 -11.601   1.440   7.159
  536    HD2  LYS  75          1HD       LYS  75 -11.005   3.080   8.943
  537    HD3  LYS  75          2HD       LYS  75 -10.988   4.375   7.743
  538    HE2  LYS  75          1HE       LYS  75 -13.061   4.537   8.912
  539    HE3  LYS  75          2HE       LYS  75 -13.408   3.970   7.276
  540    HZ1  LYS  75          1HZ       LYS  75 -13.622   1.711   8.182
  541    HZ2  LYS  75          2HZ       LYS  75 -14.638   2.715   8.966
  542    HZ3  LYS  75          3HZ       LYS  75 -13.260   2.233   9.690
  543    H    ILE  76           H        ILE  76  -8.720   2.758   3.648
  544    HA   ILE  76           HA       ILE  76 -11.270   2.392   2.242
  545    HB   ILE  76           HB       ILE  76 -10.505   4.166   0.756
  546   HG12  ILE  76          1HG1      ILE  76  -8.192   4.740   2.619
  547   HG13  ILE  76          2HG1      ILE  76  -7.961   3.747   1.199
  548   HG21  ILE  76          1HG2      ILE  76 -10.830   5.942   2.412
  549   HG22  ILE  76          2HG2      ILE  76 -11.829   4.555   2.855
  550   HG23  ILE  76          3HG2      ILE  76 -10.307   4.869   3.723
  551   HD11  ILE  76          1HD1      ILE  76  -7.397   5.987   0.613
  552   HD12  ILE  76          2HD1      ILE  76  -8.934   5.634  -0.180
  553   HD13  ILE  76          3HD1      ILE  76  -8.901   6.626   1.304
  554    H    MET  77           H        MET  77  -7.873   1.486   1.511
  555    HA   MET  77           HA       MET  77  -8.644   0.831  -1.246
  556    HB2  MET  77          1HB       MET  77  -5.999   0.886   0.139
  557    HB3  MET  77          2HB       MET  77  -6.189   0.385  -1.535
  558    HG2  MET  77          1HG       MET  77  -7.177   3.076  -0.569
  559    HG3  MET  77          2HG       MET  77  -5.530   2.825  -1.079
  560    HE1  MET  77          1HE       MET  77  -7.030   4.885  -3.946
  561    HE2  MET  77          2HE       MET  77  -6.680   5.000  -2.216
  562    HE3  MET  77          3HE       MET  77  -5.421   4.426  -3.345
  563    H    ASP  78           H        ASP  78  -9.071  -0.914   1.396
  564    HA   ASP  78           HA       ASP  78  -8.081  -3.465   0.303
  565    HB2  ASP  78          1HB       ASP  78  -7.845  -3.034   2.720
  566    HB3  ASP  78          2HB       ASP  78  -9.604  -3.003   2.893
  567    H    MET  79           H        MET  79  -9.260  -5.028  -0.640
  568    HA   MET  79           HA       MET  79 -10.782  -5.914  -1.957
  569    HB2  MET  79          1HB       MET  79 -12.782  -4.932   0.088
  570    HB3  MET  79          2HB       MET  79 -13.205  -5.999  -1.244
  571    HG2  MET  79          1HG       MET  79 -10.943  -6.818   0.567
  572    HG3  MET  79          2HG       MET  79 -12.593  -6.913   1.150
  573    HE1  MET  79          1HE       MET  79 -11.298  -7.870  -2.649
  574    HE2  MET  79          2HE       MET  79 -10.010  -8.216  -1.466
  575    HE3  MET  79          3HE       MET  79 -10.875  -9.547  -2.266
  576    H    ILE  80           H        ILE  80 -10.098  -2.953  -2.260
  577    HA   ILE  80           HA       ILE  80 -12.144  -2.019  -4.136
  578    HB   ILE  80           HB       ILE  80  -9.525  -1.066  -3.069
  579   HG12  ILE  80          1HG1      ILE  80 -12.259   0.117  -3.635
  580   HG13  ILE  80          2HG1      ILE  80 -11.524  -0.265  -2.079
  581   HG21  ILE  80          1HG2      ILE  80  -8.969  -0.995  -5.436
  582   HG22  ILE  80          2HG2      ILE  80 -10.421   0.006  -5.747
  583   HG23  ILE  80          3HG2      ILE  80  -9.084   0.586  -4.707
  584   HD11  ILE  80          1HD1      ILE  80  -9.807   1.578  -2.609
  585   HD12  ILE  80          2HD1      ILE  80 -10.852   2.025  -3.965
  586   HD13  ILE  80          3HD1      ILE  80 -11.471   2.108  -2.308
  587    H    LYS  81           H        LYS  81 -11.854  -1.875  -6.413
  588    HA   LYS  81           HA       LYS  81 -10.311  -4.168  -7.559
  589    HB2  LYS  81          1HB       LYS  81 -12.973  -2.952  -8.352
  590    HB3  LYS  81          2HB       LYS  81 -12.115  -4.211  -9.256
  591    HG2  LYS  81          1HG       LYS  81 -12.188  -5.653  -7.154
  592    HG3  LYS  81          2HG       LYS  81 -13.229  -4.425  -6.428
  593    HD2  LYS  81          1HD       LYS  81 -14.701  -6.084  -7.239
  594    HD3  LYS  81          2HD       LYS  81 -14.808  -4.758  -8.408
  595    HE2  LYS  81          1HE       LYS  81 -13.109  -6.000  -9.836
  596    HE3  LYS  81          2HE       LYS  81 -13.205  -7.340  -8.688
  597    HZ1  LYS  81          1HZ       LYS  81 -14.702  -7.685 -10.572
  598    HZ2  LYS  81          2HZ       LYS  81 -15.502  -6.296 -10.264
  599    HZ3  LYS  81          3HZ       LYS  81 -15.579  -7.537  -9.205
  600    H    LEU  82           H        LEU  82  -8.505  -2.628  -7.620
  601    HA   LEU  82           HA       LEU  82  -8.396  -0.432  -9.447
  602    HB2  LEU  82          1HB       LEU  82  -6.750  -0.970  -7.630
  603    HB3  LEU  82          2HB       LEU  82  -6.184  -2.346  -8.570
  604    HG   LEU  82           HG       LEU  82  -5.305  -0.863 -10.303
  605   HD11  LEU  82          1HD1      LEU  82  -5.317   1.648  -9.868
  606   HD12  LEU  82          2HD1      LEU  82  -6.567   1.360  -8.646
  607   HD13  LEU  82          3HD1      LEU  82  -6.869   0.979 -10.357
  608   HD21  LEU  82          1HD2      LEU  82  -4.577   0.119  -7.506
  609   HD22  LEU  82          2HD2      LEU  82  -3.575   0.273  -8.961
  610   HD23  LEU  82          3HD2      LEU  82  -3.922  -1.331  -8.294
  611    H    TYR  83           H        TYR  83  -8.196  -0.358 -11.714
  612    HA   TYR  83           HA       TYR  83  -8.880  -1.162 -13.731
  613    HB2  TYR  83          1HB       TYR  83  -6.515  -2.993 -13.237
  614    HB3  TYR  83          2HB       TYR  83  -7.235  -2.675 -14.804
  615    HD1  TYR  83          1HD       TYR  83  -7.487  -0.116 -15.482
  616    HD2  TYR  83          2HD       TYR  83  -4.627  -1.704 -12.668
  617    HE1  TYR  83          1HE       TYR  83  -5.963   1.802 -15.943
  618    HE2  TYR  83          2HE       TYR  83  -3.106   0.202 -13.143
  619    HH   TYR  83           HH       TYR  83  -2.741   2.086 -14.413
  620    H    GLY  84           H        GLY  84 -10.480  -2.556 -11.610
  621    HA2  GLY  84          1HA       GLY  84 -12.258  -4.004 -11.762
  622    HA3  GLY  84          2HA       GLY  84 -11.767  -4.450 -13.393
  623    H    LYS  85           H        LYS  85  -9.693  -4.839 -10.542
  624    HA   LYS  85           HA       LYS  85  -9.959  -7.763 -10.447
  625    HB2  LYS  85          1HB       LYS  85  -8.280  -7.210 -12.164
  626    HB3  LYS  85          2HB       LYS  85  -7.368  -6.252 -10.999
  627    HG2  LYS  85          1HG       LYS  85  -6.874  -8.222  -9.657
  628    HG3  LYS  85          2HG       LYS  85  -7.940  -9.233 -10.643
  629    HD2  LYS  85          1HD       LYS  85  -5.497  -7.785 -11.754
  630    HD3  LYS  85          2HD       LYS  85  -5.445  -9.439 -11.132
  631    HE2  LYS  85          1HE       LYS  85  -7.007 -10.229 -12.796
  632    HE3  LYS  85          2HE       LYS  85  -7.361  -8.588 -13.346
  633    HZ1  LYS  85          1HZ       LYS  85  -5.154  -8.381 -14.212
  634    HZ2  LYS  85          2HZ       LYS  85  -5.792  -9.756 -14.809
  635    HZ3  LYS  85          3HZ       LYS  85  -4.688  -9.844 -13.607
  636    HA   PRO  86           HA       PRO  86 -10.028  -6.042  -6.359
  637    HB2  PRO  86          1HB       PRO  86 -10.366  -8.305  -4.827
  638    HB3  PRO  86          2HB       PRO  86 -11.643  -7.533  -5.820
  639    HG2  PRO  86          1HG       PRO  86  -9.876  -9.884  -6.537
  640    HG3  PRO  86          2HG       PRO  86 -11.650  -9.721  -6.748
  641    HD2  PRO  86          1HD       PRO  86  -9.918  -9.279  -8.790
  642    HD3  PRO  86          2HD       PRO  86 -11.372  -8.241  -8.605
  643    H    ILE  87           H        ILE  87  -8.594  -5.303  -4.983
  644    HA   ILE  87           HA       ILE  87  -6.037  -6.759  -4.522
  645    HB   ILE  87           HB       ILE  87  -5.104  -4.584  -3.812
  646   HG12  ILE  87          1HG1      ILE  87  -7.428  -3.214  -5.192
  647   HG13  ILE  87          2HG1      ILE  87  -7.436  -3.478  -3.444
  648   HG21  ILE  87          1HG2      ILE  87  -6.138  -4.763  -6.675
  649   HG22  ILE  87          2HG2      ILE  87  -4.793  -3.746  -6.132
  650   HG23  ILE  87          3HG2      ILE  87  -4.665  -5.504  -6.016
  651   HD11  ILE  87          1HD1      ILE  87  -5.341  -2.186  -3.230
  652   HD12  ILE  87          2HD1      ILE  87  -5.340  -1.887  -4.985
  653   HD13  ILE  87          3HD1      ILE  87  -6.639  -1.236  -3.974
  654    H    ARG  88           H        ARG  88  -5.116  -6.853  -2.503
  655    HA   ARG  88           HA       ARG  88  -6.865  -6.266  -0.140
  656    HB2  ARG  88          1HB       ARG  88  -5.001  -8.609  -0.635
  657    HB3  ARG  88          2HB       ARG  88  -5.407  -8.092   0.996
  658    HG2  ARG  88          1HG       ARG  88  -7.462  -8.966  -1.080
  659    HG3  ARG  88          2HG       ARG  88  -6.793  -9.969   0.214
  660    HD2  ARG  88          1HD       ARG  88  -7.627  -8.155   1.846
  661    HD3  ARG  88          2HD       ARG  88  -8.586  -7.533   0.488
  662    HE   ARG  88           HE       ARG  88  -9.126 -10.284   0.653
  663   HH11  ARG  88          1HH1      ARG  88  -9.746  -7.453   2.718
  664   HH12  ARG  88          2HH1      ARG  88 -10.931  -8.332   3.631
  665   HH21  ARG  88          1HH2      ARG  88 -10.738 -11.238   1.830
  666   HH22  ARG  88          2HH2      ARG  88 -11.520 -10.365   3.112
  667    H    VAL  89           H        VAL  89  -6.015  -5.201   1.538
  668    HA   VAL  89           HA       VAL  89  -3.236  -4.160   1.285
  669    HB   VAL  89           HB       VAL  89  -5.683  -2.441   1.833
  670   HG11  VAL  89          1HG1      VAL  89  -2.770  -1.656   1.372
  671   HG12  VAL  89          2HG1      VAL  89  -4.138  -0.544   1.600
  672   HG13  VAL  89          3HG1      VAL  89  -3.624  -1.585   2.923
  673   HG21  VAL  89          1HG2      VAL  89  -5.078  -1.392  -0.382
  674   HG22  VAL  89          2HG2      VAL  89  -3.906  -2.697  -0.629
  675   HG23  VAL  89          3HG2      VAL  89  -5.642  -3.055  -0.543
  676    H    ASN  90           H        ASN  90  -2.144  -3.812   3.152
  677    HA   ASN  90           HA       ASN  90  -3.336  -3.749   5.814
  678    HB2  ASN  90          1HB       ASN  90  -3.387  -6.240   5.063
  679    HB3  ASN  90          2HB       ASN  90  -1.634  -6.159   5.074
  680   HD21  ASN  90          1HD2      ASN  90  -2.247  -8.055   6.620
  681   HD22  ASN  90          2HD2      ASN  90  -2.426  -7.597   8.308
  682    H    LYS  91           H        LYS  91  -1.381  -3.997   7.453
  683    HA   LYS  91           HA       LYS  91   0.683  -2.054   7.024
  684    HB2  LYS  91          1HB       LYS  91   0.705  -4.507   8.830
  685    HB3  LYS  91          2HB       LYS  91   1.692  -3.066   9.041
  686    HG2  LYS  91          1HG       LYS  91  -1.349  -3.203   9.289
  687    HG3  LYS  91          2HG       LYS  91  -0.219  -3.312  10.617
  688    HD2  LYS  91          1HD       LYS  91  -0.415  -0.917   8.730
  689    HD3  LYS  91          2HD       LYS  91  -1.313  -1.032  10.222
  690    HE2  LYS  91          1HE       LYS  91   1.732  -1.053   9.932
  691    HE3  LYS  91          2HE       LYS  91   0.775   0.359  10.354
  692    HZ1  LYS  91          1HZ       LYS  91   0.359  -1.893  12.130
  693    HZ2  LYS  91          2HZ       LYS  91   0.640  -0.303  12.482
  694    HZ3  LYS  91          3HZ       LYS  91   1.886  -1.282  12.154
  695    H    ALA  92           H        ALA  92   2.877  -2.262   6.372
  696    HA   ALA  92           HA       ALA  92   3.686  -4.682   4.943
  697    HB1  ALA  92          1HB       ALA  92   5.784  -3.487   4.602
  698    HB2  ALA  92          2HB       ALA  92   4.404  -2.429   4.251
  699    HB3  ALA  92          3HB       ALA  92   5.302  -2.247   5.778
  700    H    SER  93           H        SER  93   4.336  -3.345   8.210
  701    HA   SER  93           HA       SER  93   6.196  -5.411   8.984
  702    HB2  SER  93          1HB       SER  93   4.503  -3.623  10.764
  703    HB3  SER  93          2HB       SER  93   5.960  -4.525  11.227
  704    HG   SER  93           HG       SER  93   6.401  -2.352  10.800
  705    H    ALA  94           H        ALA  94   2.727  -4.968   9.565
  706    HA   ALA  94           HA       ALA  94   1.108  -6.197  10.598
  707    HB1  ALA  94          1HB       ALA  94   2.216  -8.099   8.521
  708    HB2  ALA  94          2HB       ALA  94   0.585  -8.164   9.237
  709    HB3  ALA  94          3HB       ALA  94   1.064  -6.761   8.273
  710    H    HIS  95           H        HIS  95   2.034  -6.231  12.695
  711    HA   HIS  95           HA       HIS  95   2.679  -8.960  13.740
  712    HB2  HIS  95          1HB       HIS  95   4.316  -7.905  15.246
  713    HB3  HIS  95          2HB       HIS  95   4.724  -7.661  13.556
  714    HD2  HIS  95          2HD       HIS  95   4.149  -5.177  12.502
  715    HE1  HIS  95          1HE       HIS  95   4.063  -3.118  16.227
  716    HE2  HIS  95          2HE       HIS  95   4.127  -2.829  13.683
  717    H    ASN  96           H        ASN  96   0.139  -7.191  13.704
  718    HA   ASN  96           HA       ASN  96  -0.354  -6.206  16.312
  719    HB2  ASN  96          1HB       ASN  96  -1.569  -5.605  14.189
  720    HB3  ASN  96          2HB       ASN  96  -2.366  -7.180  14.239
  721   HD21  ASN  96          1HD2      ASN  96  -4.357  -5.808  14.225
  722   HD22  ASN  96          2HD2      ASN  96  -4.910  -5.164  15.765
  723    H    LYS  97           H        LYS  97  -1.410  -6.986  18.091
  724    HA   LYS  97           HA       LYS  97  -2.222  -9.821  18.339
  725    HB2  LYS  97          1HB       LYS  97   0.251  -9.765  18.692
  726    HB3  LYS  97          2HB       LYS  97   0.036  -8.574  19.979
  727    HG2  LYS  97          1HG       LYS  97  -1.229 -10.239  21.316
  728    HG3  LYS  97          2HG       LYS  97  -1.077 -11.415  19.993
  729    HD2  LYS  97          1HD       LYS  97   1.402 -11.362  20.252
  730    HD3  LYS  97          2HD       LYS  97   1.242 -10.133  21.510
  731    HE2  LYS  97          1HE       LYS  97   1.608 -12.201  22.625
  732    HE3  LYS  97          2HE       LYS  97  -0.076 -11.750  22.900
  733    HZ1  LYS  97          1HZ       LYS  97   0.165 -14.104  22.309
  734    HZ2  LYS  97          2HZ       LYS  97   0.858 -13.732  20.882
  735    HZ3  LYS  97          3HZ       LYS  97  -0.708 -13.349  21.159
  736    H    ASN  98           H        ASN  98  -3.636 -10.178  20.024
  737    HA   ASN  98           HA       ASN  98  -4.862  -7.864  21.365
  738    HB2  ASN  98          1HB       ASN  98  -5.510 -10.840  21.376
  739    HB3  ASN  98          2HB       ASN  98  -6.431  -9.618  22.247
  740   HD21  ASN  98          1HD2      ASN  98  -7.835 -11.126  20.532
  741   HD22  ASN  98          2HD2      ASN  98  -8.251 -10.178  19.111
  742    H    LEU  99           H        LEU  99  -2.468  -7.647  22.221
  743    HA   LEU  99           HA       LEU  99  -1.674  -9.305  24.445
  744    HB2  LEU  99          1HB       LEU  99  -0.137  -8.177  22.835
  745    HB3  LEU  99          2HB       LEU  99  -0.647  -6.613  23.464
  746    HG   LEU  99           HG       LEU  99   0.337  -7.190  25.682
  747   HD11  LEU  99          1HD1      LEU  99   1.336  -9.696  24.249
  748   HD12  LEU  99          2HD1      LEU  99   0.203  -9.664  25.619
  749   HD13  LEU  99          3HD1      LEU  99   1.868  -9.135  25.847
  750   HD21  LEU  99          1HD2      LEU  99   2.683  -7.027  24.978
  751   HD22  LEU  99          2HD2      LEU  99   1.655  -5.981  23.987
  752   HD23  LEU  99          3HD2      LEU  99   2.241  -7.525  23.329
  753    H    SER 100           H        SER 100  -1.540  -8.806  26.638
  754    HA   SER 100           HA       SER 100  -3.051  -6.473  27.706
  755    HB2  SER 100          1HB       SER 100  -4.171  -7.938  29.316
  756    HB3  SER 100          2HB       SER 100  -4.581  -8.376  27.651
  757    HG   SER 100           HG       SER 100  -4.086 -10.218  28.933
  758    H    GLY 101           H        GLY 101  -2.731  -6.234  30.107
  759    HA2  GLY 101          1HA       GLY 101  -0.400  -7.307  31.415
  760    HA3  GLY 101          2HA       GLY 101  -0.070  -5.704  30.751
  761    HA   PRO 102           HA       PRO 102  -1.824  -5.440  35.100
  762    HB2  PRO 102          1HB       PRO 102   0.404  -3.412  35.255
  763    HB3  PRO 102          2HB       PRO 102  -0.165  -4.562  36.505
  764    HG2  PRO 102          1HG       PRO 102   2.077  -5.108  35.097
  765    HG3  PRO 102          2HG       PRO 102   0.871  -6.408  35.375
  766    HD2  PRO 102          1HD       PRO 102   1.233  -4.679  32.906
  767    HD3  PRO 102          2HD       PRO 102   1.032  -6.453  33.022
  768    H    SER 103           H        SER 103  -3.077  -3.821  36.083
  769    HA   SER 103           HA       SER 103  -4.352  -1.933  34.369
  770    HB2  SER 103          1HB       SER 103  -4.444  -2.127  37.403
  771    HB3  SER 103          2HB       SER 103  -5.602  -1.270  36.368
  772    HG   SER 103           HG       SER 103  -6.336  -3.374  36.943
  773    H    SER 104           H        SER 104  -4.460   0.331  34.410
  774    HA   SER 104           HA       SER 104  -1.961   1.714  34.947
  775    HB2  SER 104          1HB       SER 104  -3.161   3.645  33.942
  776    HB3  SER 104          2HB       SER 104  -3.182   2.188  32.934
  777    HG   SER 104           HG       SER 104  -5.254   3.197  33.071
  778    H    GLY 105           H        GLY 105  -4.790   1.229  36.839
  779    HA2  GLY 105          1HA       GLY 105  -3.831   2.446  39.185
  780    HA3  GLY 105          2HA       GLY 105  -4.879   3.635  38.406
  Start of MODEL    3
    1    H1   GLY   1          1H        GLY   1  24.631 -12.794   3.436
    2    H2   GLY   1          2H        GLY   1  25.963 -13.226   4.282
    3    H3   GLY   1          3H        GLY   1  25.692 -11.647   3.931
    4    HA2  GLY   1          1HA       GLY   1  25.178 -12.056   6.239
    5    HA3  GLY   1          2HA       GLY   1  23.728 -11.608   5.321
    6    H    SER   2           H        SER   2  22.500 -12.663   7.005
    7    HA   SER   2           HA       SER   2  22.079 -15.551   6.514
    8    HB2  SER   2          1HB       SER   2  22.034 -16.045   8.930
    9    HB3  SER   2          2HB       SER   2  23.637 -15.550   8.372
   10    HG   SER   2           HG       SER   2  23.049 -14.517  10.338
   11    H    SER   3           H        SER   3  20.054 -16.357   7.350
   12    HA   SER   3           HA       SER   3  17.881 -14.560   6.818
   13    HB2  SER   3          1HB       SER   3  17.820 -17.391   7.922
   14    HB3  SER   3          2HB       SER   3  16.452 -16.504   7.222
   15    HG   SER   3           HG       SER   3  17.460 -17.900   5.694
   16    H    GLY   4           H        GLY   4  16.215 -13.815   8.099
   17    HA2  GLY   4          1HA       GLY   4  15.714 -14.475  10.815
   18    HA3  GLY   4          2HA       GLY   4  16.682 -12.998  10.777
   19    H    SER   5           H        SER   5  13.993 -13.217  11.767
   20    HA   SER   5           HA       SER   5  12.151 -12.149   9.761
   21    HB2  SER   5          1HB       SER   5  10.545 -12.174  11.662
   22    HB3  SER   5          2HB       SER   5  11.310 -13.738  11.331
   23    HG   SER   5           HG       SER   5  11.281 -13.234  13.581
   24    H    SER   6           H        SER   6  14.106 -10.770  12.358
   25    HA   SER   6           HA       SER   6  13.571  -8.060  11.384
   26    HB2  SER   6          1HB       SER   6  12.874  -7.159  13.547
   27    HB3  SER   6          2HB       SER   6  11.720  -8.365  12.970
   28    HG   SER   6           HG       SER   6  12.213  -8.646  15.191
   29    H    GLY   7           H        GLY   7  14.958  -6.431  12.374
   30    HA2  GLY   7          1HA       GLY   7  16.876  -6.765  14.333
   31    HA3  GLY   7          2HA       GLY   7  17.687  -7.281  12.851
   32    HA   PRO   8           HA       PRO   8  17.803  -2.547  13.414
   33    HB2  PRO   8          1HB       PRO   8  20.764  -3.087  13.554
   34    HB3  PRO   8          2HB       PRO   8  19.794  -1.860  14.425
   35    HG2  PRO   8          1HG       PRO   8  20.611  -4.107  15.699
   36    HG3  PRO   8          2HG       PRO   8  18.936  -3.508  15.934
   37    HD2  PRO   8          1HD       PRO   8  19.895  -5.704  14.069
   38    HD3  PRO   8          2HD       PRO   8  18.526  -5.718  15.222
   39    H    ILE   9           H        ILE   9  17.880  -1.308  11.602
   40    HA   ILE   9           HA       ILE   9  19.714  -1.828   9.396
   41    HB   ILE   9           HB       ILE   9  17.838  -3.458   9.062
   42   HG12  ILE   9          1HG1      ILE   9  17.351  -3.031   6.722
   43   HG13  ILE   9          2HG1      ILE   9  17.941  -1.381   6.848
   44   HG21  ILE   9          1HG2      ILE   9  15.622  -2.718   8.371
   45   HG22  ILE   9          2HG2      ILE   9  15.980  -2.143  10.001
   46   HG23  ILE   9          3HG2      ILE   9  16.061  -1.020   8.628
   47   HD11  ILE   9          1HD1      ILE   9  19.576  -2.948   5.814
   48   HD12  ILE   9          2HD1      ILE   9  20.228  -2.198   7.277
   49   HD13  ILE   9          3HD1      ILE   9  19.631  -3.876   7.326
   50    H    SER  10           H        SER  10  19.764  -0.128   7.813
   51    HA   SER  10           HA       SER  10  19.004   2.514   8.832
   52    HB2  SER  10          1HB       SER  10  20.404   3.298   6.925
   53    HB3  SER  10          2HB       SER  10  21.243   2.199   8.031
   54    HG   SER  10           HG       SER  10  21.590   1.662   5.810
   55    H    GLU  11           H        GLU  11  17.207   0.362   7.188
   56    HA   GLU  11           HA       GLU  11  16.239   1.862   4.929
   57    HB2  GLU  11          1HB       GLU  11  16.343  -0.615   5.146
   58    HB3  GLU  11          2HB       GLU  11  15.029  -0.556   6.324
   59    HG2  GLU  11          1HG       GLU  11  13.476   0.234   4.636
   60    HG3  GLU  11          2HG       GLU  11  14.790   0.544   3.495
   61    H    ARG  12           H        ARG  12  14.019   2.509   4.573
   62    HA   ARG  12           HA       ARG  12  13.097   4.453   6.471
   63    HB2  ARG  12          1HB       ARG  12  11.835   3.345   3.924
   64    HB3  ARG  12          2HB       ARG  12  11.243   4.756   4.807
   65    HG2  ARG  12          1HG       ARG  12  13.355   5.951   4.433
   66    HG3  ARG  12          2HG       ARG  12  14.034   4.546   3.590
   67    HD2  ARG  12          1HD       ARG  12  12.246   4.697   1.891
   68    HD3  ARG  12          2HD       ARG  12  11.605   6.142   2.693
   69    HE   ARG  12           HE       ARG  12  14.098   6.984   2.302
   70   HH11  ARG  12          1HH1      ARG  12  12.105   5.286  -0.023
   71   HH12  ARG  12          2HH1      ARG  12  12.895   6.036  -1.384
   72   HH21  ARG  12          1HH2      ARG  12  15.064   7.900   0.528
   73   HH22  ARG  12          2HH2      ARG  12  14.523   7.481  -1.070
   74    H    ASN  13           H        ASN  13  10.850   4.694   7.178
   75    HA   ASN  13           HA       ASN  13  10.358   2.653   9.104
   76    HB2  ASN  13          1HB       ASN  13   8.807   5.167   8.365
   77    HB3  ASN  13          2HB       ASN  13   8.427   4.148   9.748
   78   HD21  ASN  13          1HD2      ASN  13   8.891   6.700  10.348
   79   HD22  ASN  13          2HD2      ASN  13  10.475   6.870  11.093
   80    H    GLN  14           H        GLN  14   9.752   0.699   8.294
   81    HA   GLN  14           HA       GLN  14   7.689   0.292   6.379
   82    HB2  GLN  14          1HB       GLN  14   9.625  -1.208   6.920
   83    HB3  GLN  14          2HB       GLN  14   8.778  -1.707   8.391
   84    HG2  GLN  14          1HG       GLN  14   6.923  -2.592   7.018
   85    HG3  GLN  14          2HG       GLN  14   7.686  -1.975   5.546
   86   HE21  GLN  14          1HE2      GLN  14   7.999  -4.368   8.183
   87   HE22  GLN  14          2HE2      GLN  14   9.075  -5.442   7.279
   88    H    ASP  15           H        ASP  15   7.436   0.871   9.808
   89    HA   ASP  15           HA       ASP  15   4.869  -0.268  10.346
   90    HB2  ASP  15          1HB       ASP  15   6.197   2.212  11.506
   91    HB3  ASP  15          2HB       ASP  15   4.802   1.381  12.191
   92    H    ALA  16           H        ALA  16   5.748   2.808   8.798
   93    HA   ALA  16           HA       ALA  16   2.903   3.536   8.432
   94    HB1  ALA  16          1HB       ALA  16   5.440   5.117   7.869
   95    HB2  ALA  16          2HB       ALA  16   3.770   5.715   7.777
   96    HB3  ALA  16          3HB       ALA  16   4.451   5.243   9.344
   97    H    THR  17           H        THR  17   4.695   1.371   6.950
   98    HA   THR  17           HA       THR  17   3.972   2.201   4.175
   99    HB   THR  17           HB       THR  17   5.818  -0.040   5.034
  100    HG1  THR  17          1HG       THR  17   6.619   2.105   5.372
  101   HG21  THR  17          1HG2      THR  17   4.815  -0.478   2.812
  102   HG22  THR  17          2HG2      THR  17   6.525  -0.051   2.656
  103   HG23  THR  17          3HG2      THR  17   5.288   1.150   2.272
  104    H    VAL  18           H        VAL  18   2.408   1.152   3.100
  105    HA   VAL  18           HA       VAL  18   1.049  -1.159   4.434
  106    HB   VAL  18           HB       VAL  18  -0.904  -0.737   3.138
  107   HG11  VAL  18          1HG1      VAL  18   0.033   1.896   4.343
  108   HG12  VAL  18          2HG1      VAL  18  -1.636   1.356   4.116
  109   HG13  VAL  18          3HG1      VAL  18  -0.591   0.514   5.274
  110   HG21  VAL  18          1HG2      VAL  18  -1.202   1.256   1.732
  111   HG22  VAL  18          2HG2      VAL  18   0.509   1.665   1.934
  112   HG23  VAL  18          3HG2      VAL  18   0.035   0.195   1.049
  113    H    TYR  19           H        TYR  19   0.603  -2.986   3.288
  114    HA   TYR  19           HA       TYR  19   2.165  -3.561   0.808
  115    HB2  TYR  19          1HB       TYR  19   2.627  -5.145   2.539
  116    HB3  TYR  19          2HB       TYR  19   0.942  -5.239   3.016
  117    HD1  TYR  19          1HD       TYR  19  -0.716  -6.501   1.706
  118    HD2  TYR  19          2HD       TYR  19   3.458  -6.478   0.633
  119    HE1  TYR  19          1HE       TYR  19  -1.080  -8.501   0.270
  120    HE2  TYR  19          2HE       TYR  19   3.095  -8.493  -0.795
  121    HH   TYR  19           HH       TYR  19  -0.104 -10.067  -1.102
  122    H    VAL  20           H        VAL  20   1.091  -4.107  -1.033
  123    HA   VAL  20           HA       VAL  20  -1.895  -4.263  -1.051
  124    HB   VAL  20           HB       VAL  20  -0.233  -2.801  -3.145
  125   HG11  VAL  20          1HG1      VAL  20  -3.242  -3.019  -2.671
  126   HG12  VAL  20          2HG1      VAL  20  -2.459  -2.054  -3.938
  127   HG13  VAL  20          3HG1      VAL  20  -2.344  -3.822  -3.968
  128   HG21  VAL  20          1HG2      VAL  20  -1.239  -0.722  -2.322
  129   HG22  VAL  20          2HG2      VAL  20  -1.964  -1.596  -0.950
  130   HG23  VAL  20          3HG2      VAL  20  -0.199  -1.445  -1.102
  131    H    GLY  21           H        GLY  21  -2.275  -6.336  -1.589
  132    HA2  GLY  21          1HA       GLY  21  -0.559  -7.721  -3.617
  133    HA3  GLY  21          2HA       GLY  21  -1.582  -8.504  -2.423
  134    H    GLY  22           H        GLY  22  -1.413  -8.568  -5.457
  135    HA2  GLY  22          1HA       GLY  22  -3.136  -9.585  -6.761
  136    HA3  GLY  22          2HA       GLY  22  -4.372  -8.693  -5.874
  137    H    LEU  23           H        LEU  23  -1.405  -7.407  -7.396
  138    HA   LEU  23           HA       LEU  23  -2.903  -5.194  -8.583
  139    HB2  LEU  23          1HB       LEU  23   0.052  -5.939  -8.644
  140    HB3  LEU  23          2HB       LEU  23  -0.628  -4.437  -9.259
  141    HG   LEU  23           HG       LEU  23  -0.584  -5.341  -6.345
  142   HD11  LEU  23          1HD1      LEU  23   0.963  -3.479  -6.062
  143   HD12  LEU  23          2HD1      LEU  23   0.851  -3.078  -7.787
  144   HD13  LEU  23          3HD1      LEU  23   1.581  -4.614  -7.281
  145   HD21  LEU  23          1HD2      LEU  23  -2.566  -4.049  -6.564
  146   HD22  LEU  23          2HD2      LEU  23  -1.804  -2.885  -7.660
  147   HD23  LEU  23          3HD2      LEU  23  -1.341  -2.929  -5.952
  148    H    ASP  24           H        ASP  24  -3.093  -4.713 -10.731
  149    HA   ASP  24           HA       ASP  24  -2.936  -6.968 -12.599
  150    HB2  ASP  24          1HB       ASP  24  -4.955  -5.549 -12.516
  151    HB3  ASP  24          2HB       ASP  24  -3.990  -4.127 -12.917
  152    H    GLU  25           H        GLU  25  -1.915  -6.737 -14.759
  153    HA   GLU  25           HA       GLU  25   0.788  -5.892 -14.652
  154    HB2  GLU  25          1HB       GLU  25   0.876  -6.448 -17.001
  155    HB3  GLU  25          2HB       GLU  25  -0.032  -7.666 -16.107
  156    HG2  GLU  25          1HG       GLU  25  -2.168  -6.656 -16.909
  157    HG3  GLU  25          2HG       GLU  25  -1.254  -5.444 -17.808
  158    H    LYS  26           H        LYS  26  -2.034  -3.951 -15.450
  159    HA   LYS  26           HA       LYS  26  -0.488  -1.789 -16.697
  160    HB2  LYS  26          1HB       LYS  26  -3.355  -1.960 -15.701
  161    HB3  LYS  26          2HB       LYS  26  -2.668  -0.568 -16.547
  162    HG2  LYS  26          1HG       LYS  26  -2.117  -1.999 -18.496
  163    HG3  LYS  26          2HG       LYS  26  -2.861  -3.388 -17.708
  164    HD2  LYS  26          1HD       LYS  26  -4.263  -0.804 -18.501
  165    HD3  LYS  26          2HD       LYS  26  -4.345  -2.328 -19.379
  166    HE2  LYS  26          1HE       LYS  26  -5.403  -1.819 -16.564
  167    HE3  LYS  26          2HE       LYS  26  -6.370  -1.912 -18.040
  168    HZ1  LYS  26          1HZ       LYS  26  -5.515  -4.247 -18.271
  169    HZ2  LYS  26          2HZ       LYS  26  -6.461  -4.026 -16.957
  170    HZ3  LYS  26          3HZ       LYS  26  -4.844  -4.119 -16.770
  171    H    VAL  27           H        VAL  27  -0.806  -2.712 -13.440
  172    HA   VAL  27           HA       VAL  27  -0.769  -0.032 -12.268
  173    HB   VAL  27           HB       VAL  27  -0.120  -2.725 -11.009
  174   HG11  VAL  27          1HG1      VAL  27   0.872  -0.915  -9.681
  175   HG12  VAL  27          2HG1      VAL  27  -0.654  -0.016  -9.718
  176   HG13  VAL  27          3HG1      VAL  27  -0.541  -1.563  -8.874
  177   HG21  VAL  27          1HG2      VAL  27  -2.392  -2.523 -10.007
  178   HG22  VAL  27          2HG2      VAL  27  -2.671  -1.046 -10.945
  179   HG23  VAL  27          3HG2      VAL  27  -2.469  -2.607 -11.768
  180    H    SER  28           H        SER  28   0.918   1.190 -11.654
  181    HA   SER  28           HA       SER  28   3.688   0.084 -11.636
  182    HB2  SER  28          1HB       SER  28   2.876   2.712 -12.948
  183    HB3  SER  28          2HB       SER  28   4.537   2.138 -12.704
  184    HG   SER  28           HG       SER  28   3.756   1.700 -14.822
  185    H    GLU  29           H        GLU  29   5.202   1.450 -10.346
  186    HA   GLU  29           HA       GLU  29   4.152   2.128  -7.835
  187    HB2  GLU  29          1HB       GLU  29   6.765   2.713  -9.255
  188    HB3  GLU  29          2HB       GLU  29   6.466   3.448  -7.694
  189    HG2  GLU  29          1HG       GLU  29   6.715   1.519  -6.548
  190    HG3  GLU  29          2HG       GLU  29   5.827   0.578  -7.721
  191    HA   PRO  30           HA       PRO  30   4.077   6.826  -8.947
  192    HB2  PRO  30          1HB       PRO  30   3.488   6.648 -11.902
  193    HB3  PRO  30          2HB       PRO  30   4.351   7.932 -10.994
  194    HG2  PRO  30          1HG       PRO  30   5.760   6.122 -12.419
  195    HG3  PRO  30          2HG       PRO  30   6.300   6.544 -10.758
  196    HD2  PRO  30          1HD       PRO  30   4.638   4.166 -11.643
  197    HD3  PRO  30          2HD       PRO  30   6.094   4.197 -10.607
  198    H    LEU  31           H        LEU  31   2.032   4.363 -10.504
  199    HA   LEU  31           HA       LEU  31  -0.437   5.910 -10.395
  200    HB2  LEU  31          1HB       LEU  31  -0.176   3.885 -11.872
  201    HB3  LEU  31          2HB       LEU  31  -0.036   2.889 -10.427
  202    HG   LEU  31           HG       LEU  31  -2.377   3.750  -9.718
  203   HD11  LEU  31          1HD1      LEU  31  -2.353   4.545 -12.657
  204   HD12  LEU  31          2HD1      LEU  31  -2.482   5.663 -11.273
  205   HD13  LEU  31          3HD1      LEU  31  -3.783   4.505 -11.593
  206   HD21  LEU  31          1HD2      LEU  31  -2.018   1.503 -10.517
  207   HD22  LEU  31          2HD2      LEU  31  -1.957   2.060 -12.213
  208   HD23  LEU  31          3HD2      LEU  31  -3.471   2.148 -11.292
  209    H    LEU  32           H        LEU  32   1.016   3.303  -8.377
  210    HA   LEU  32           HA       LEU  32  -0.970   3.308  -6.365
  211    HB2  LEU  32          1HB       LEU  32   2.024   2.797  -5.995
  212    HB3  LEU  32          2HB       LEU  32   0.743   2.375  -4.863
  213    HG   LEU  32           HG       LEU  32   1.273   1.152  -7.575
  214   HD11  LEU  32          1HD1      LEU  32   1.108  -0.013  -4.760
  215   HD12  LEU  32          2HD1      LEU  32   2.617   0.345  -5.642
  216   HD13  LEU  32          3HD1      LEU  32   1.508  -0.898  -6.250
  217   HD21  LEU  32          1HD2      LEU  32  -0.674  -0.377  -6.948
  218   HD22  LEU  32          2HD2      LEU  32  -1.134   1.271  -7.417
  219   HD23  LEU  32          3HD2      LEU  32  -1.103   0.800  -5.697
  220    H    TRP  33           H        TRP  33   1.960   5.328  -6.590
  221    HA   TRP  33           HA       TRP  33   1.728   6.637  -4.104
  222    HB2  TRP  33          1HB       TRP  33   3.616   6.682  -5.807
  223    HB3  TRP  33          2HB       TRP  33   2.717   7.874  -6.711
  224    HD1  TRP  33           HD       TRP  33   1.878   9.769  -4.191
  225    HE1  TRP  33          1HE       TRP  33   3.695  11.149  -3.007
  226    HE3  TRP  33          3HE       TRP  33   5.958   7.159  -5.737
  227    HZ2  TRP  33          2HZ       TRP  33   6.583  11.147  -2.811
  228    HZ3  TRP  33          3HZ       TRP  33   8.264   7.866  -5.056
  229    HH2  TRP  33           HH       TRP  33   8.574   9.857  -3.596
  230    H    GLU  34           H        GLU  34   0.666   7.979  -7.254
  231    HA   GLU  34           HA       GLU  34  -0.786  10.152  -6.100
  232    HB2  GLU  34          1HB       GLU  34  -0.980   8.839  -8.847
  233    HB3  GLU  34          2HB       GLU  34  -1.789  10.352  -8.398
  234    HG2  GLU  34          1HG       GLU  34   0.477  11.254  -7.720
  235    HG3  GLU  34          2HG       GLU  34   1.214   9.849  -8.481
  236    H    LEU  35           H        LEU  35  -1.879   6.886  -6.840
  237    HA   LEU  35           HA       LEU  35  -4.701   7.419  -6.495
  238    HB2  LEU  35          1HB       LEU  35  -3.504   5.415  -7.667
  239    HB3  LEU  35          2HB       LEU  35  -3.317   4.768  -6.030
  240    HG   LEU  35           HG       LEU  35  -5.889   5.068  -5.883
  241   HD11  LEU  35          1HD1      LEU  35  -5.558   5.071  -8.902
  242   HD12  LEU  35          2HD1      LEU  35  -6.190   6.417  -7.924
  243   HD13  LEU  35          3HD1      LEU  35  -7.087   4.893  -8.014
  244   HD21  LEU  35          1HD2      LEU  35  -4.673   2.983  -7.720
  245   HD22  LEU  35          2HD2      LEU  35  -6.251   2.867  -6.900
  246   HD23  LEU  35          3HD2      LEU  35  -4.766   2.903  -5.944
  247    H    PHE  36           H        PHE  36  -2.096   6.484  -4.226
  248    HA   PHE  36           HA       PHE  36  -3.989   6.063  -2.009
  249    HB2  PHE  36          1HB       PHE  36  -1.053   5.610  -2.443
  250    HB3  PHE  36          2HB       PHE  36  -1.673   5.687  -0.841
  251    HD1  PHE  36          1HD       PHE  36  -2.201   3.669   0.196
  252    HD2  PHE  36          2HD       PHE  36  -2.620   3.947  -4.077
  253    HE1  PHE  36          1HE       PHE  36  -2.941   1.299   0.108
  254    HE2  PHE  36          2HE       PHE  36  -3.282   1.565  -4.173
  255    HZ   PHE  36           HZ       PHE  36  -3.497   0.250  -2.074
  256    H    LEU  37           H        LEU  37  -2.285   8.783  -3.223
  257    HA   LEU  37           HA       LEU  37  -2.013  10.408  -0.937
  258    HB2  LEU  37          1HB       LEU  37  -2.876  10.965  -3.792
  259    HB3  LEU  37          2HB       LEU  37  -2.732  12.265  -2.615
  260    HG   LEU  37           HG       LEU  37  -0.457  10.496  -3.550
  261   HD11  LEU  37          1HD1      LEU  37   0.375  12.527  -4.599
  262   HD12  LEU  37          2HD1      LEU  37  -0.998  13.459  -3.958
  263   HD13  LEU  37          3HD1      LEU  37  -1.270  12.203  -5.180
  264   HD21  LEU  37          1HD2      LEU  37   0.981  12.078  -2.283
  265   HD22  LEU  37          2HD2      LEU  37  -0.070  11.114  -1.238
  266   HD23  LEU  37          3HD2      LEU  37  -0.488  12.806  -1.577
  267    H    GLN  38           H        GLN  38  -4.937   9.194  -2.265
  268    HA   GLN  38           HA       GLN  38  -6.882  11.009  -1.198
  269    HB2  GLN  38          1HB       GLN  38  -7.092   7.991  -1.609
  270    HB3  GLN  38          2HB       GLN  38  -8.444   9.125  -1.445
  271    HG2  GLN  38          1HG       GLN  38  -7.741  10.266  -3.537
  272    HG3  GLN  38          2HG       GLN  38  -6.374   9.151  -3.659
  273   HE21  GLN  38          1HE2      GLN  38  -7.685   9.051  -5.892
  274   HE22  GLN  38          2HE2      GLN  38  -8.830   7.718  -5.961
  275    H    ALA  39           H        ALA  39  -5.093   8.325   0.266
  276    HA   ALA  39           HA       ALA  39  -6.684   8.304   2.729
  277    HB1  ALA  39          1HB       ALA  39  -5.645   6.246   1.865
  278    HB2  ALA  39          2HB       ALA  39  -4.041   6.983   1.980
  279    HB3  ALA  39          3HB       ALA  39  -4.962   6.660   3.456
  280    H    GLY  40           H        GLY  40  -3.397   9.376   1.811
  281    HA2  GLY  40          1HA       GLY  40  -3.350  11.651   3.552
  282    HA3  GLY  40          2HA       GLY  40  -2.529  10.290   4.324
  283    HA   PRO  41           HA       PRO  41   0.436  12.627   1.537
  284    HB2  PRO  41          1HB       PRO  41   2.414  13.109   3.381
  285    HB3  PRO  41          2HB       PRO  41   0.981  14.158   3.156
  286    HG2  PRO  41          1HG       PRO  41   1.356  11.950   5.201
  287    HG3  PRO  41          2HG       PRO  41   0.797  13.628   5.481
  288    HD2  PRO  41          1HD       PRO  41  -0.921  11.535   5.219
  289    HD3  PRO  41          2HD       PRO  41  -1.340  13.124   4.513
  290    H    VAL  42           H        VAL  42   1.121  11.057   0.247
  291    HA   VAL  42           HA       VAL  42   2.616   8.704   1.200
  292    HB   VAL  42           HB       VAL  42   1.883   9.557  -1.619
  293   HG11  VAL  42          1HG1      VAL  42   3.160   6.998  -0.551
  294   HG12  VAL  42          2HG1      VAL  42   2.509   7.196  -2.187
  295   HG13  VAL  42          3HG1      VAL  42   3.893   8.152  -1.682
  296   HG21  VAL  42          1HG2      VAL  42  -0.096   8.893  -0.278
  297   HG22  VAL  42          2HG2      VAL  42   0.274   7.701  -1.525
  298   HG23  VAL  42          3HG2      VAL  42   0.720   7.379   0.166
  299    H    VAL  43           H        VAL  43   4.689   8.479   1.191
  300    HA   VAL  43           HA       VAL  43   6.453  10.783   0.495
  301    HB   VAL  43           HB       VAL  43   7.017   8.458   2.374
  302   HG11  VAL  43          1HG1      VAL  43   9.002   9.785   1.775
  303   HG12  VAL  43          2HG1      VAL  43   8.151  11.287   2.225
  304   HG13  VAL  43          3HG1      VAL  43   8.549  10.078   3.462
  305   HG21  VAL  43          1HG2      VAL  43   5.734  11.133   3.066
  306   HG22  VAL  43          2HG2      VAL  43   4.999   9.521   3.217
  307   HG23  VAL  43          3HG2      VAL  43   6.370   9.950   4.236
  308    H    ASN  44           H        ASN  44   6.044   7.315  -0.018
  309    HA   ASN  44           HA       ASN  44   7.980   7.182  -2.197
  310    HB2  ASN  44          1HB       ASN  44   9.525   7.125  -0.334
  311    HB3  ASN  44          2HB       ASN  44   8.523   6.010   0.556
  312   HD21  ASN  44          1HD2      ASN  44   9.753   4.232   0.818
  313   HD22  ASN  44          2HD2      ASN  44  10.487   3.356  -0.538
  314    H    THR  45           H        THR  45   8.055   4.932  -3.109
  315    HA   THR  45           HA       THR  45   5.844   3.084  -2.420
  316    HB   THR  45           HB       THR  45   5.455   2.805  -4.966
  317    HG1  THR  45          1HG       THR  45   7.145   4.272  -5.565
  318   HG21  THR  45          1HG2      THR  45   4.363   5.338  -3.718
  319   HG22  THR  45          2HG2      THR  45   3.767   3.691  -3.394
  320   HG23  THR  45          3HG2      THR  45   3.660   4.345  -5.027
  321    H    HIS  46           H        HIS  46   6.149   0.927  -3.204
  322    HA   HIS  46           HA       HIS  46   8.695   0.316  -4.609
  323    HB2  HIS  46          1HB       HIS  46   9.103   0.198  -2.090
  324    HB3  HIS  46          2HB       HIS  46   7.868  -1.025  -2.009
  325    HD2  HIS  46          2HD       HIS  46   9.616  -2.833  -1.107
  326    HE1  HIS  46          1HE       HIS  46  11.827  -3.289  -4.728
  327    HE2  HIS  46          2HE       HIS  46  11.432  -4.241  -2.397
  328    H    MET  47           H        MET  47   8.370  -1.225  -6.148
  329    HA   MET  47           HA       MET  47   6.312  -3.341  -5.671
  330    HB2  MET  47          1HB       MET  47   6.542  -1.685  -8.195
  331    HB3  MET  47          2HB       MET  47   5.842  -3.303  -8.165
  332    HG2  MET  47          1HG       MET  47   4.134  -2.670  -6.634
  333    HG3  MET  47          2HG       MET  47   4.861  -1.089  -6.341
  334    HE1  MET  47          1HE       MET  47   4.313  -2.762  -9.970
  335    HE2  MET  47          2HE       MET  47   3.106  -3.420  -8.836
  336    HE3  MET  47          3HE       MET  47   2.601  -2.346 -10.162
  337    HA   PRO  48           HA       PRO  48  10.307  -5.392  -6.445
  338    HB2  PRO  48          1HB       PRO  48   8.467  -7.688  -5.713
  339    HB3  PRO  48          2HB       PRO  48  10.193  -7.450  -5.283
  340    HG2  PRO  48          1HG       PRO  48   8.301  -6.841  -3.472
  341    HG3  PRO  48          2HG       PRO  48   9.629  -5.677  -3.756
  342    HD2  PRO  48          1HD       PRO  48   6.811  -5.615  -4.879
  343    HD3  PRO  48          2HD       PRO  48   7.760  -4.279  -4.150
  344    H    LYS  49           H        LYS  49  11.081  -6.352  -8.276
  345    HA   LYS  49           HA       LYS  49   9.139  -6.941 -10.465
  346    HB2  LYS  49          1HB       LYS  49  12.064  -6.183 -10.713
  347    HB3  LYS  49          2HB       LYS  49  10.901  -6.360 -12.021
  348    HG2  LYS  49          1HG       LYS  49  10.935  -4.196  -9.884
  349    HG3  LYS  49          2HG       LYS  49  11.315  -4.023 -11.598
  350    HD2  LYS  49          1HD       LYS  49   8.925  -4.688 -12.124
  351    HD3  LYS  49          2HD       LYS  49   8.577  -4.610 -10.393
  352    HE2  LYS  49          1HE       LYS  49   9.482  -2.313 -12.188
  353    HE3  LYS  49          2HE       LYS  49   7.875  -2.562 -11.502
  354    HZ1  LYS  49          1HZ       LYS  49   8.889  -1.019 -10.065
  355    HZ2  LYS  49          2HZ       LYS  49  10.333  -1.802 -10.050
  356    HZ3  LYS  49          3HZ       LYS  49   9.047  -2.428  -9.260
  357    H    ASP  50           H        ASP  50   9.499  -8.565 -11.944
  358    HA   ASP  50           HA       ASP  50  10.541 -11.077 -10.862
  359    HB2  ASP  50          1HB       ASP  50   8.393 -10.928 -12.092
  360    HB3  ASP  50          2HB       ASP  50   9.250 -10.350 -13.516
  361    H    ARG  51           H        ARG  51  12.272 -12.287 -11.659
  362    HA   ARG  51           HA       ARG  51  14.399 -10.700 -12.908
  363    HB2  ARG  51          1HB       ARG  51  15.917 -12.344 -12.093
  364    HB3  ARG  51          2HB       ARG  51  14.776 -11.923 -10.818
  365    HG2  ARG  51          1HG       ARG  51  13.496 -14.034 -11.305
  366    HG3  ARG  51          2HG       ARG  51  14.711 -14.450 -12.535
  367    HD2  ARG  51          1HD       ARG  51  16.477 -14.421 -10.807
  368    HD3  ARG  51          2HD       ARG  51  15.265 -14.017  -9.574
  369    HE   ARG  51           HE       ARG  51  14.406 -16.376 -10.904
  370   HH11  ARG  51          1HH1      ARG  51  16.995 -15.460  -8.729
  371   HH12  ARG  51          2HH1      ARG  51  17.142 -17.070  -8.077
  372   HH21  ARG  51          1HH2      ARG  51  14.644 -18.406 -10.030
  373   HH22  ARG  51          2HH2      ARG  51  15.840 -18.689  -8.801
  374    H    VAL  52           H        VAL  52  12.098 -12.293 -14.498
  375    HA   VAL  52           HA       VAL  52  13.939 -13.221 -16.684
  376    HB   VAL  52           HB       VAL  52  11.376 -14.632 -15.836
  377   HG11  VAL  52          1HG1      VAL  52  13.564 -15.404 -17.816
  378   HG12  VAL  52          2HG1      VAL  52  12.188 -16.426 -17.345
  379   HG13  VAL  52          3HG1      VAL  52  11.898 -14.927 -18.223
  380   HG21  VAL  52          1HG2      VAL  52  13.013 -15.064 -14.097
  381   HG22  VAL  52          2HG2      VAL  52  12.874 -16.499 -15.107
  382   HG23  VAL  52          3HG2      VAL  52  14.273 -15.419 -15.307
  383    H    THR  53           H        THR  53  10.749 -11.994 -15.757
  384    HA   THR  53           HA       THR  53  10.128 -11.242 -18.571
  385    HB   THR  53           HB       THR  53   7.790 -11.026 -17.769
  386    HG1  THR  53          1HG       THR  53   8.824 -12.140 -15.378
  387   HG21  THR  53          1HG2      THR  53   7.297 -13.397 -17.485
  388   HG22  THR  53          2HG2      THR  53   8.994 -13.748 -17.092
  389   HG23  THR  53          3HG2      THR  53   8.550 -13.192 -18.722
  390    H    GLY  54           H        GLY  54  10.882  -9.921 -15.459
  391    HA2  GLY  54          1HA       GLY  54  11.467  -7.819 -14.865
  392    HA3  GLY  54          2HA       GLY  54  11.261  -7.330 -16.543
  393    H    GLN  55           H        GLN  55   8.323  -8.597 -15.509
  394    HA   GLN  55           HA       GLN  55   7.076  -5.968 -14.994
  395    HB2  GLN  55          1HB       GLN  55   4.990  -7.284 -14.798
  396    HB3  GLN  55          2HB       GLN  55   5.793  -7.477 -16.348
  397    HG2  GLN  55          1HG       GLN  55   6.362  -9.687 -15.971
  398    HG3  GLN  55          2HG       GLN  55   6.387  -9.536 -14.217
  399   HE21  GLN  55          1HE2      GLN  55   4.260  -9.407 -13.058
  400   HE22  GLN  55          2HE2      GLN  55   2.863 -10.133 -13.847
  401    H    HIS  56           H        HIS  56   5.480  -5.945 -13.003
  402    HA   HIS  56           HA       HIS  56   7.022  -6.460 -10.587
  403    HB2  HIS  56          1HB       HIS  56   5.179  -5.539  -9.383
  404    HB3  HIS  56          2HB       HIS  56   5.537  -4.531 -10.780
  405    HD2  HIS  56          2HD       HIS  56   3.502  -3.968 -12.345
  406    HE1  HIS  56          1HE       HIS  56   0.686  -6.779 -10.826
  407    HE2  HIS  56          2HE       HIS  56   0.990  -4.789 -12.361
  408    H    GLN  57           H        GLN  57   6.342  -7.765  -8.798
  409    HA   GLN  57           HA       GLN  57   5.744 -10.478  -9.649
  410    HB2  GLN  57          1HB       GLN  57   6.420  -9.280  -6.944
  411    HB3  GLN  57          2HB       GLN  57   6.245 -11.013  -7.258
  412    HG2  GLN  57          1HG       GLN  57   8.102 -10.936  -8.885
  413    HG3  GLN  57          2HG       GLN  57   8.312  -9.217  -8.576
  414   HE21  GLN  57          1HE2      GLN  57  10.600  -9.868  -7.956
  415   HE22  GLN  57          2HE2      GLN  57  10.827 -10.494  -6.327
  416    H    GLY  58           H        GLY  58   3.432  -8.343  -9.465
  417    HA2  GLY  58          1HA       GLY  58   1.135  -8.695  -9.303
  418    HA3  GLY  58          2HA       GLY  58   1.392 -10.179  -8.389
  419    H    TYR  59           H        TYR  59   3.258  -7.815  -6.915
  420    HA   TYR  59           HA       TYR  59   1.122  -6.629  -5.276
  421    HB2  TYR  59          1HB       TYR  59   2.010  -7.365  -3.186
  422    HB3  TYR  59          2HB       TYR  59   1.675  -8.776  -4.165
  423    HD1  TYR  59          1HD       TYR  59   4.248  -6.827  -2.436
  424    HD2  TYR  59          2HD       TYR  59   3.565 -10.086  -5.184
  425    HE1  TYR  59          1HE       TYR  59   6.568  -7.649  -2.054
  426    HE2  TYR  59          2HE       TYR  59   5.902 -10.867  -4.836
  427    HH   TYR  59           HH       TYR  59   7.916 -10.438  -3.849
  428    H    GLY  60           H        GLY  60   1.865  -4.955  -3.854
  429    HA2  GLY  60          1HA       GLY  60   4.502  -3.700  -4.367
  430    HA3  GLY  60          2HA       GLY  60   3.045  -2.818  -4.839
  431    H    PHE  61           H        PHE  61   4.381  -1.426  -3.259
  432    HA   PHE  61           HA       PHE  61   2.986  -1.471  -0.662
  433    HB2  PHE  61          1HB       PHE  61   5.961  -0.961  -0.996
  434    HB3  PHE  61          2HB       PHE  61   5.071  -0.906   0.498
  435    HD1  PHE  61          1HD       PHE  61   6.582  -3.123  -2.034
  436    HD2  PHE  61          2HD       PHE  61   4.475  -2.925   1.716
  437    HE1  PHE  61          1HE       PHE  61   7.265  -5.455  -1.532
  438    HE2  PHE  61          2HE       PHE  61   5.168  -5.261   2.228
  439    HZ   PHE  61           HZ       PHE  61   6.554  -6.531   0.599
  440    H    VAL  62           H        VAL  62   2.813   0.539   0.359
  441    HA   VAL  62           HA       VAL  62   3.755   2.973  -1.095
  442    HB   VAL  62           HB       VAL  62   0.945   2.750   0.049
  443   HG11  VAL  62          1HG1      VAL  62   2.329   4.853  -1.655
  444   HG12  VAL  62          2HG1      VAL  62   0.631   4.878  -1.145
  445   HG13  VAL  62          3HG1      VAL  62   1.892   5.013   0.068
  446   HG21  VAL  62          1HG2      VAL  62   0.187   2.865  -2.336
  447   HG22  VAL  62          2HG2      VAL  62   1.862   2.560  -2.841
  448   HG23  VAL  62          3HG2      VAL  62   0.963   1.338  -1.919
  449    H    GLU  63           H        GLU  63   4.728   4.401   0.220
  450    HA   GLU  63           HA       GLU  63   4.724   3.877   3.156
  451    HB2  GLU  63          1HB       GLU  63   6.847   3.747   1.865
  452    HB3  GLU  63          2HB       GLU  63   6.625   5.451   1.425
  453    HG2  GLU  63          1HG       GLU  63   6.686   6.082   3.817
  454    HG3  GLU  63          2HG       GLU  63   6.968   4.399   4.258
  455    H    PHE  64           H        PHE  64   3.607   5.202   4.424
  456    HA   PHE  64           HA       PHE  64   2.850   7.925   3.508
  457    HB2  PHE  64          1HB       PHE  64   1.793   6.099   5.691
  458    HB3  PHE  64          2HB       PHE  64   1.334   7.784   5.525
  459    HD1  PHE  64          1HD       PHE  64   0.055   8.617   3.652
  460    HD2  PHE  64          2HD       PHE  64   1.040   4.436   3.981
  461    HE1  PHE  64          1HE       PHE  64  -1.643   8.072   1.905
  462    HE2  PHE  64          2HE       PHE  64  -0.665   3.897   2.250
  463    HZ   PHE  64           HZ       PHE  64  -2.027   5.734   1.243
  464    H    LEU  65           H        LEU  65   2.953   9.685   4.979
  465    HA   LEU  65           HA       LEU  65   5.437  10.033   6.282
  466    HB2  LEU  65          1HB       LEU  65   3.757  11.771   5.365
  467    HB3  LEU  65          2HB       LEU  65   2.882  11.552   6.886
  468    HG   LEU  65           HG       LEU  65   5.076  12.192   8.073
  469   HD11  LEU  65          1HD1      LEU  65   5.761  13.144   5.255
  470   HD12  LEU  65          2HD1      LEU  65   6.632  11.893   6.169
  471   HD13  LEU  65          3HD1      LEU  65   6.650  13.567   6.736
  472   HD21  LEU  65          1HD2      LEU  65   3.732  14.243   6.255
  473   HD22  LEU  65          2HD2      LEU  65   4.686  14.608   7.712
  474   HD23  LEU  65          3HD2      LEU  65   3.156  13.730   7.858
  475    H    SER  66           H        SER  66   2.353   8.894   7.607
  476    HA   SER  66           HA       SER  66   3.681   8.204  10.176
  477    HB2  SER  66          1HB       SER  66   1.010   9.642  10.084
  478    HB3  SER  66          2HB       SER  66   1.944   9.175  11.509
  479    HG   SER  66           HG       SER  66   2.171  11.404  11.003
  480    H    GLU  67           H        GLU  67   2.587   6.619  11.422
  481    HA   GLU  67           HA       GLU  67   1.487   4.472   9.919
  482    HB2  GLU  67          1HB       GLU  67   2.785   4.238  11.968
  483    HB3  GLU  67          2HB       GLU  67   1.494   5.005  12.910
  484    HG2  GLU  67          1HG       GLU  67  -0.010   3.128  12.458
  485    HG3  GLU  67          2HG       GLU  67   1.138   2.441  11.308
  486    H    GLU  68           H        GLU  68  -0.198   7.049  11.713
  487    HA   GLU  68           HA       GLU  68  -2.802   5.813  11.552
  488    HB2  GLU  68          1HB       GLU  68  -3.670   7.956  12.254
  489    HB3  GLU  68          2HB       GLU  68  -2.259   7.517  13.213
  490    HG2  GLU  68          1HG       GLU  68  -0.857   9.053  11.807
  491    HG3  GLU  68          2HG       GLU  68  -2.304   9.523  10.911
  492    H    ASP  69           H        ASP  69  -0.937   7.569   9.181
  493    HA   ASP  69           HA       ASP  69  -3.244   8.017   7.382
  494    HB2  ASP  69          1HB       ASP  69  -0.250   8.411   7.062
  495    HB3  ASP  69          2HB       ASP  69  -1.421   8.738   5.798
  496    H    ALA  70           H        ALA  70  -0.639   5.645   7.880
  497    HA   ALA  70           HA       ALA  70  -1.195   4.100   5.495
  498    HB1  ALA  70          1HB       ALA  70   0.971   4.021   6.746
  499    HB2  ALA  70          2HB       ALA  70   0.147   3.324   8.148
  500    HB3  ALA  70          3HB       ALA  70   0.241   2.411   6.642
  501    H    ASP  71           H        ASP  71  -2.271   3.845   8.924
  502    HA   ASP  71           HA       ASP  71  -4.022   1.640   8.687
  503    HB2  ASP  71          1HB       ASP  71  -3.293   2.704  10.790
  504    HB3  ASP  71          2HB       ASP  71  -4.266   4.126  10.413
  505    H    TYR  72           H        TYR  72  -4.589   5.036   7.772
  506    HA   TYR  72           HA       TYR  72  -7.419   4.666   7.225
  507    HB2  TYR  72          1HB       TYR  72  -6.219   6.845   7.778
  508    HB3  TYR  72          2HB       TYR  72  -5.611   6.842   6.129
  509    HD1  TYR  72          1HD       TYR  72  -7.350   6.801   4.204
  510    HD2  TYR  72          2HD       TYR  72  -8.400   7.622   8.303
  511    HE1  TYR  72          1HE       TYR  72  -9.437   7.901   3.438
  512    HE2  TYR  72          2HE       TYR  72 -10.517   8.695   7.537
  513    HH   TYR  72           HH       TYR  72 -11.373   8.971   4.067
  514    H    ALA  73           H        ALA  73  -4.436   4.406   5.214
  515    HA   ALA  73           HA       ALA  73  -5.865   4.101   2.706
  516    HB1  ALA  73          1HB       ALA  73  -3.072   3.196   3.534
  517    HB2  ALA  73          2HB       ALA  73  -3.700   3.348   1.878
  518    HB3  ALA  73          3HB       ALA  73  -3.499   4.792   2.889
  519    H    ILE  74           H        ILE  74  -4.749   1.806   5.198
  520    HA   ILE  74           HA       ILE  74  -5.611  -0.598   3.886
  521    HB   ILE  74           HB       ILE  74  -5.364   0.079   6.844
  522   HG12  ILE  74          1HG1      ILE  74  -3.409  -1.487   5.114
  523   HG13  ILE  74          2HG1      ILE  74  -3.287   0.260   5.306
  524   HG21  ILE  74          1HG2      ILE  74  -5.640  -2.622   5.449
  525   HG22  ILE  74          2HG2      ILE  74  -5.193  -2.418   7.157
  526   HG23  ILE  74          3HG2      ILE  74  -6.777  -1.907   6.605
  527   HD11  ILE  74          1HD1      ILE  74  -3.003   0.032   7.714
  528   HD12  ILE  74          2HD1      ILE  74  -3.110  -1.739   7.577
  529   HD13  ILE  74          3HD1      ILE  74  -1.774  -0.858   6.813
  530    H    LYS  75           H        LYS  75  -7.393   1.814   5.800
  531    HA   LYS  75           HA       LYS  75  -9.858   0.317   5.967
  532    HB2  LYS  75          1HB       LYS  75  -9.287   2.108   7.529
  533    HB3  LYS  75          2HB       LYS  75  -9.322   3.305   6.231
  534    HG2  LYS  75          1HG       LYS  75 -11.703   2.946   5.867
  535    HG3  LYS  75          2HG       LYS  75 -11.713   1.641   7.070
  536    HD2  LYS  75          1HD       LYS  75 -11.062   3.272   8.830
  537    HD3  LYS  75          2HD       LYS  75 -11.024   4.569   7.613
  538    HE2  LYS  75          1HE       LYS  75 -13.432   4.181   7.132
  539    HE3  LYS  75          2HE       LYS  75 -13.470   2.891   8.341
  540    HZ1  LYS  75          1HZ       LYS  75 -14.279   4.988   9.259
  541    HZ2  LYS  75          2HZ       LYS  75 -12.877   5.748   8.917
  542    HZ3  LYS  75          3HZ       LYS  75 -12.911   4.556  10.036
  543    H    ILE  76           H        ILE  76  -8.741   2.804   3.584
  544    HA   ILE  76           HA       ILE  76 -11.290   2.492   2.160
  545    HB   ILE  76           HB       ILE  76 -10.510   4.271   0.713
  546   HG12  ILE  76          1HG1      ILE  76  -8.136   4.740   2.537
  547   HG13  ILE  76          2HG1      ILE  76  -7.976   3.798   1.072
  548   HG21  ILE  76          1HG2      ILE  76 -10.781   6.033   2.380
  549   HG22  ILE  76          2HG2      ILE  76 -11.785   4.656   2.844
  550   HG23  ILE  76          3HG2      ILE  76 -10.240   4.950   3.678
  551   HD11  ILE  76          1HD1      ILE  76  -7.370   6.026   0.524
  552   HD12  ILE  76          2HD1      ILE  76  -8.959   5.760  -0.200
  553   HD13  ILE  76          3HD1      ILE  76  -8.812   6.695   1.314
  554    H    MET  77           H        MET  77  -7.909   1.525   1.453
  555    HA   MET  77           HA       MET  77  -8.668   0.894  -1.317
  556    HB2  MET  77          1HB       MET  77  -6.046   0.976   0.103
  557    HB3  MET  77          2HB       MET  77  -6.192   0.401  -1.550
  558    HG2  MET  77          1HG       MET  77  -7.246   3.116  -0.735
  559    HG3  MET  77          2HG       MET  77  -5.573   2.874  -1.165
  560    HE1  MET  77          1HE       MET  77  -5.486   4.426  -3.532
  561    HE2  MET  77          2HE       MET  77  -7.116   4.794  -4.141
  562    HE3  MET  77          3HE       MET  77  -6.771   4.964  -2.414
  563    H    ASP  78           H        ASP  78  -9.137  -0.851   1.313
  564    HA   ASP  78           HA       ASP  78  -8.138  -3.411   0.238
  565    HB2  ASP  78          1HB       ASP  78  -7.923  -2.966   2.653
  566    HB3  ASP  78          2HB       ASP  78  -9.682  -2.895   2.803
  567    H    MET  79           H        MET  79  -9.283  -4.973  -0.697
  568    HA   MET  79           HA       MET  79 -10.784  -5.908  -1.998
  569    HB2  MET  79          1HB       MET  79 -11.953  -6.033   0.296
  570    HB3  MET  79          2HB       MET  79 -13.092  -4.856  -0.364
  571    HG2  MET  79          1HG       MET  79 -13.654  -6.404  -2.189
  572    HG3  MET  79          2HG       MET  79 -12.410  -7.534  -1.660
  573    HE1  MET  79          1HE       MET  79 -12.575  -9.149   0.329
  574    HE2  MET  79          2HE       MET  79 -12.709  -7.802   1.483
  575    HE3  MET  79          3HE       MET  79 -13.871  -9.142   1.545
  576    H    ILE  80           H        ILE  80 -10.149  -2.890  -2.315
  577    HA   ILE  80           HA       ILE  80 -12.172  -1.979  -4.222
  578    HB   ILE  80           HB       ILE  80  -9.562  -1.005  -3.143
  579   HG12  ILE  80          1HG1      ILE  80 -12.304   0.167  -3.709
  580   HG13  ILE  80          2HG1      ILE  80 -11.573  -0.218  -2.151
  581   HG21  ILE  80          1HG2      ILE  80  -9.156   0.660  -4.793
  582   HG22  ILE  80          2HG2      ILE  80  -9.008  -0.922  -5.508
  583   HG23  ILE  80          3HG2      ILE  80 -10.483   0.044  -5.824
  584   HD11  ILE  80          1HD1      ILE  80  -9.858   1.633  -2.662
  585   HD12  ILE  80          2HD1      ILE  80 -10.893   2.080  -4.026
  586   HD13  ILE  80          3HD1      ILE  80 -11.528   2.158  -2.377
  587    H    LYS  81           H        LYS  81 -11.923  -1.902  -6.486
  588    HA   LYS  81           HA       LYS  81 -10.353  -4.200  -7.578
  589    HB2  LYS  81          1HB       LYS  81 -12.954  -2.940  -8.479
  590    HB3  LYS  81          2HB       LYS  81 -12.106  -4.257  -9.312
  591    HG2  LYS  81          1HG       LYS  81 -12.280  -5.615  -7.163
  592    HG3  LYS  81          2HG       LYS  81 -13.308  -4.335  -6.513
  593    HD2  LYS  81          1HD       LYS  81 -14.823  -5.946  -7.296
  594    HD3  LYS  81          2HD       LYS  81 -14.822  -4.704  -8.556
  595    HE2  LYS  81          1HE       LYS  81 -13.111  -6.125  -9.808
  596    HE3  LYS  81          2HE       LYS  81 -13.331  -7.369  -8.575
  597    HZ1  LYS  81          1HZ       LYS  81 -15.680  -7.496  -9.205
  598    HZ2  LYS  81          2HZ       LYS  81 -14.743  -7.777 -10.510
  599    HZ3  LYS  81          3HZ       LYS  81 -15.490  -6.338 -10.340
  600    H    LEU  82           H        LEU  82  -8.506  -2.701  -7.611
  601    HA   LEU  82           HA       LEU  82  -8.302  -0.556  -9.497
  602    HB2  LEU  82          1HB       LEU  82  -6.715  -1.052  -7.618
  603    HB3  LEU  82          2HB       LEU  82  -6.134  -2.464  -8.501
  604    HG   LEU  82           HG       LEU  82  -5.201  -1.058 -10.257
  605   HD11  LEU  82          1HD1      LEU  82  -6.446   1.256  -8.713
  606   HD12  LEU  82          2HD1      LEU  82  -6.743   0.804 -10.408
  607   HD13  LEU  82          3HD1      LEU  82  -5.178   1.458  -9.936
  608   HD21  LEU  82          1HD2      LEU  82  -3.486   0.104  -8.919
  609   HD22  LEU  82          2HD2      LEU  82  -3.874  -1.467  -8.197
  610   HD23  LEU  82          3HD2      LEU  82  -4.524   0.024  -7.483
  611    H    TYR  83           H        TYR  83  -8.129  -0.568 -11.749
  612    HA   TYR  83           HA       TYR  83  -8.814  -1.461 -13.731
  613    HB2  TYR  83          1HB       TYR  83  -6.373  -3.180 -13.232
  614    HB3  TYR  83          2HB       TYR  83  -7.106  -2.878 -14.798
  615    HD1  TYR  83          1HD       TYR  83  -7.448  -0.312 -15.446
  616    HD2  TYR  83          2HD       TYR  83  -4.543  -1.826 -12.642
  617    HE1  TYR  83          1HE       TYR  83  -6.031   1.696 -15.832
  618    HE2  TYR  83          2HE       TYR  83  -3.116   0.177 -13.048
  619    HH   TYR  83           HH       TYR  83  -4.083   2.781 -15.311
  620    H    GLY  84           H        GLY  84 -10.365  -2.806 -11.616
  621    HA2  GLY  84          1HA       GLY  84 -12.148  -4.244 -11.808
  622    HA3  GLY  84          2HA       GLY  84 -11.536  -4.822 -13.352
  623    H    LYS  85           H        LYS  85  -9.406  -5.111 -10.579
  624    HA   LYS  85           HA       LYS  85  -9.984  -7.967 -10.156
  625    HB2  LYS  85          1HB       LYS  85  -7.306  -6.691 -10.812
  626    HB3  LYS  85          2HB       LYS  85  -7.456  -8.271 -10.027
  627    HG2  LYS  85          1HG       LYS  85  -8.667  -9.197 -11.917
  628    HG3  LYS  85          2HG       LYS  85  -8.760  -7.611 -12.696
  629    HD2  LYS  85          1HD       LYS  85  -6.275  -7.547 -12.845
  630    HD3  LYS  85          2HD       LYS  85  -6.202  -9.182 -12.155
  631    HE2  LYS  85          1HE       LYS  85  -7.491 -10.072 -14.053
  632    HE3  LYS  85          2HE       LYS  85  -7.730  -8.438 -14.690
  633    HZ1  LYS  85          1HZ       LYS  85  -5.912  -9.523 -15.846
  634    HZ2  LYS  85          2HZ       LYS  85  -5.100  -9.792 -14.452
  635    HZ3  LYS  85          3HZ       LYS  85  -5.324  -8.256 -14.986
  636    HA   PRO  86           HA       PRO  86 -10.097  -5.970  -6.211
  637    HB2  PRO  86          1HB       PRO  86 -10.592  -8.121  -4.559
  638    HB3  PRO  86          2HB       PRO  86 -11.793  -7.342  -5.636
  639    HG2  PRO  86          1HG       PRO  86 -10.152  -9.829  -6.154
  640    HG3  PRO  86          2HG       PRO  86 -11.899  -9.563  -6.458
  641    HD2  PRO  86          1HD       PRO  86 -10.039  -9.346  -8.440
  642    HD3  PRO  86          2HD       PRO  86 -11.432  -8.219  -8.394
  643    H    ILE  87           H        ILE  87  -8.503  -5.119  -5.095
  644    HA   ILE  87           HA       ILE  87  -6.026  -6.637  -4.536
  645    HB   ILE  87           HB       ILE  87  -5.089  -4.462  -3.812
  646   HG12  ILE  87          1HG1      ILE  87  -7.397  -3.090  -5.209
  647   HG13  ILE  87          2HG1      ILE  87  -7.431  -3.353  -3.461
  648   HG21  ILE  87          1HG2      ILE  87  -4.792  -3.640  -6.146
  649   HG22  ILE  87          2HG2      ILE  87  -4.657  -5.396  -6.014
  650   HG23  ILE  87          3HG2      ILE  87  -6.136  -4.668  -6.670
  651   HD11  ILE  87          1HD1      ILE  87  -5.350  -2.054  -3.216
  652   HD12  ILE  87          2HD1      ILE  87  -5.297  -1.783  -4.975
  653   HD13  ILE  87          3HD1      ILE  87  -6.621  -1.110  -4.012
  654    H    ARG  88           H        ARG  88  -5.112  -6.852  -2.543
  655    HA   ARG  88           HA       ARG  88  -6.880  -6.433  -0.152
  656    HB2  ARG  88          1HB       ARG  88  -4.992  -8.699  -0.861
  657    HB3  ARG  88          2HB       ARG  88  -5.456  -8.388   0.807
  658    HG2  ARG  88          1HG       ARG  88  -7.517  -8.799  -1.400
  659    HG3  ARG  88          2HG       ARG  88  -6.829 -10.138  -0.491
  660    HD2  ARG  88          1HD       ARG  88  -8.291  -7.805   0.825
  661    HD3  ARG  88          2HD       ARG  88  -9.060  -9.302   0.334
  662    HE   ARG  88           HE       ARG  88  -7.765 -10.548   1.918
  663   HH11  ARG  88          1HH1      ARG  88  -7.559  -7.062   2.547
  664   HH12  ARG  88          2HH1      ARG  88  -6.881  -7.346   4.120
  665   HH21  ARG  88          1HH2      ARG  88  -6.981 -10.766   3.952
  666   HH22  ARG  88          2HH2      ARG  88  -6.613  -9.363   4.907
  667    H    VAL  89           H        VAL  89  -6.138  -5.287   1.477
  668    HA   VAL  89           HA       VAL  89  -3.321  -4.299   1.343
  669    HB   VAL  89           HB       VAL  89  -5.758  -2.598   1.943
  670   HG11  VAL  89          1HG1      VAL  89  -4.225  -0.703   1.698
  671   HG12  VAL  89          2HG1      VAL  89  -3.650  -1.765   2.979
  672   HG13  VAL  89          3HG1      VAL  89  -2.865  -1.801   1.393
  673   HG21  VAL  89          1HG2      VAL  89  -4.055  -2.825  -0.572
  674   HG22  VAL  89          2HG2      VAL  89  -5.787  -3.191  -0.438
  675   HG23  VAL  89          3HG2      VAL  89  -5.225  -1.528  -0.272
  676    H    ASN  90           H        ASN  90  -2.210  -4.040   3.162
  677    HA   ASN  90           HA       ASN  90  -3.348  -3.939   5.832
  678    HB2  ASN  90          1HB       ASN  90  -2.071  -5.998   6.635
  679    HB3  ASN  90          2HB       ASN  90  -3.500  -6.331   5.712
  680   HD21  ASN  90          1HD2      ASN  90  -3.297  -7.514   3.764
  681   HD22  ASN  90          2HD2      ASN  90  -1.737  -8.118   3.221
  682    H    LYS  91           H        LYS  91  -1.413  -4.058   7.473
  683    HA   LYS  91           HA       LYS  91   0.523  -2.012   6.790
  684    HB2  LYS  91          1HB       LYS  91   0.655  -4.052   9.033
  685    HB3  LYS  91          2HB       LYS  91   1.485  -2.508   8.967
  686    HG2  LYS  91          1HG       LYS  91  -1.549  -2.743   9.101
  687    HG3  LYS  91          2HG       LYS  91  -0.556  -2.801  10.533
  688    HD2  LYS  91          1HD       LYS  91  -0.124  -0.459   8.680
  689    HD3  LYS  91          2HD       LYS  91  -1.624  -0.540   9.601
  690    HE2  LYS  91          1HE       LYS  91  -0.141   0.734  10.913
  691    HE3  LYS  91          2HE       LYS  91  -0.406  -0.808  11.719
  692    HZ1  LYS  91          1HZ       LYS  91   1.888  -0.126  11.781
  693    HZ2  LYS  91          2HZ       LYS  91   2.014  -0.040  10.172
  694    HZ3  LYS  91          3HZ       LYS  91   1.817  -1.522  10.909
  695    H    ALA  92           H        ALA  92   2.653  -2.215   6.067
  696    HA   ALA  92           HA       ALA  92   3.672  -4.783   5.144
  697    HB1  ALA  92          1HB       ALA  92   4.263  -2.642   4.084
  698    HB2  ALA  92          2HB       ALA  92   5.067  -2.117   5.578
  699    HB3  ALA  92          3HB       ALA  92   5.706  -3.501   4.660
  700    H    SER  93           H        SER  93   4.017  -2.838   8.088
  701    HA   SER  93           HA       SER  93   5.148  -5.217   9.529
  702    HB2  SER  93          1HB       SER  93   5.550  -2.266  10.094
  703    HB3  SER  93          2HB       SER  93   5.870  -3.551  11.273
  704    HG   SER  93           HG       SER  93   7.759  -3.114  10.210
  705    H    ALA  94           H        ALA  94   3.235  -6.179  10.042
  706    HA   ALA  94           HA       ALA  94   1.058  -4.641  11.326
  707    HB1  ALA  94          1HB       ALA  94  -0.243  -6.689  11.061
  708    HB2  ALA  94          2HB       ALA  94   0.496  -6.252   9.515
  709    HB3  ALA  94          3HB       ALA  94   1.193  -7.564  10.489
  710    H    HIS  95           H        HIS  95   0.191  -5.163  13.353
  711    HA   HIS  95           HA       HIS  95   1.686  -6.886  15.218
  712    HB2  HIS  95          1HB       HIS  95   1.998  -5.018  16.840
  713    HB3  HIS  95          2HB       HIS  95   2.981  -4.917  15.399
  714    HD2  HIS  95          2HD       HIS  95   2.464  -2.990  13.621
  715    HE1  HIS  95          1HE       HIS  95   0.147  -0.581  16.276
  716    HE2  HIS  95          2HE       HIS  95   1.489  -0.566  14.117
  717    H    ASN  96           H        ASN  96   0.656  -6.544  17.525
  718    HA   ASN  96           HA       ASN  96  -1.844  -7.812  17.358
  719    HB2  ASN  96          1HB       ASN  96  -0.126  -8.071  19.141
  720    HB3  ASN  96          2HB       ASN  96  -0.513  -6.458  19.744
  721   HD21  ASN  96          1HD2      ASN  96  -0.662  -8.191  21.649
  722   HD22  ASN  96          2HD2      ASN  96  -2.303  -8.745  21.950
  723    H    LYS  97           H        LYS  97  -3.919  -7.222  17.524
  724    HA   LYS  97           HA       LYS  97  -4.640  -4.363  17.275
  725    HB2  LYS  97          1HB       LYS  97  -6.450  -6.801  17.112
  726    HB3  LYS  97          2HB       LYS  97  -6.797  -5.170  16.549
  727    HG2  LYS  97          1HG       LYS  97  -4.814  -7.143  15.362
  728    HG3  LYS  97          2HG       LYS  97  -6.340  -6.607  14.664
  729    HD2  LYS  97          1HD       LYS  97  -5.448  -4.293  14.464
  730    HD3  LYS  97          2HD       LYS  97  -3.892  -4.827  15.110
  731    HE2  LYS  97          1HE       LYS  97  -5.197  -5.843  12.546
  732    HE3  LYS  97          2HE       LYS  97  -3.902  -4.647  12.642
  733    HZ1  LYS  97          1HZ       LYS  97  -2.529  -6.383  13.754
  734    HZ2  LYS  97          2HZ       LYS  97  -2.936  -6.788  12.212
  735    HZ3  LYS  97          3HZ       LYS  97  -3.698  -7.490  13.469
  736    H    ASN  98           H        ASN  98  -4.602  -6.676  19.830
  737    HA   ASN  98           HA       ASN  98  -6.907  -5.681  21.266
  738    HB2  ASN  98          1HB       ASN  98  -6.004  -7.998  21.482
  739    HB3  ASN  98          2HB       ASN  98  -4.550  -7.340  22.241
  740   HD21  ASN  98          1HD2      ASN  98  -4.993  -8.574  24.195
  741   HD22  ASN  98          2HD2      ASN  98  -6.218  -7.948  25.300
  742    H    LEU  99           H        LEU  99  -7.033  -4.422  23.091
  743    HA   LEU  99           HA       LEU  99  -4.908  -2.396  23.497
  744    HB2  LEU  99          1HB       LEU  99  -7.237  -1.725  22.969
  745    HB3  LEU  99          2HB       LEU  99  -7.802  -2.550  24.422
  746    HG   LEU  99           HG       LEU  99  -6.537  -0.950  25.837
  747   HD11  LEU  99          1HD1      LEU  99  -5.848   0.406  23.188
  748   HD12  LEU  99          2HD1      LEU  99  -4.694  -0.318  24.333
  749   HD13  LEU  99          3HD1      LEU  99  -5.608   1.117  24.801
  750   HD21  LEU  99          1HD2      LEU  99  -8.876  -0.492  25.213
  751   HD22  LEU  99          2HD2      LEU  99  -8.327   0.387  23.769
  752   HD23  LEU  99          3HD2      LEU  99  -7.948   1.005  25.394
  753    H    SER 100           H        SER 100  -6.409  -5.119  25.207
  754    HA   SER 100           HA       SER 100  -5.358  -4.286  27.819
  755    HB2  SER 100          1HB       SER 100  -6.486  -6.190  28.720
  756    HB3  SER 100          2HB       SER 100  -7.572  -5.325  27.627
  757    HG   SER 100           HG       SER 100  -7.646  -7.596  27.327
  758    H    GLY 101           H        GLY 101  -4.214  -5.896  29.205
  759    HA2  GLY 101          1HA       GLY 101  -2.462  -7.878  28.044
  760    HA3  GLY 101          2HA       GLY 101  -1.600  -6.382  28.421
  761    HA   PRO 102           HA       PRO 102  -2.053  -9.243  32.173
  762    HB2  PRO 102          1HB       PRO 102   0.571  -9.890  32.628
  763    HB3  PRO 102          2HB       PRO 102  -0.473 -10.761  31.463
  764    HG2  PRO 102          1HG       PRO 102   1.494  -8.520  30.881
  765    HG3  PRO 102          2HG       PRO 102   1.340 -10.100  30.047
  766    HD2  PRO 102          1HD       PRO 102   0.185  -7.846  29.058
  767    HD3  PRO 102          2HD       PRO 102  -0.643  -9.429  28.946
  768    H    SER 103           H        SER 103  -1.848  -8.643  34.287
  769    HA   SER 103           HA       SER 103  -0.942  -5.899  34.846
  770    HB2  SER 103          1HB       SER 103  -2.416  -7.865  36.628
  771    HB3  SER 103          2HB       SER 103  -2.219  -6.128  36.903
  772    HG   SER 103           HG       SER 103  -3.450  -5.734  35.024
  773    H    SER 104           H        SER 104   0.641  -8.832  35.063
  774    HA   SER 104           HA       SER 104   1.852  -8.613  37.681
  775    HB2  SER 104          1HB       SER 104   1.515 -10.738  36.385
  776    HB3  SER 104          2HB       SER 104   2.835 -10.232  35.311
  777    HG   SER 104           HG       SER 104   3.532 -11.590  37.060
  778    H    GLY 105           H        GLY 105   4.053  -8.248  38.185
  779    HA2  GLY 105          1HA       GLY 105   6.036  -7.112  36.457
  780    HA3  GLY 105          2HA       GLY 105   5.175  -5.811  37.281
  Start of MODEL    4
    1    H1   GLY   1          1H        GLY   1  35.581  17.622  -4.906
    2    H2   GLY   1          2H        GLY   1  35.658  17.473  -6.537
    3    H3   GLY   1          3H        GLY   1  36.027  16.196  -5.576
    4    HA2  GLY   1          1HA       GLY   1  33.365  17.436  -5.815
    5    HA3  GLY   1          2HA       GLY   1  33.847  15.900  -6.559
    6    H    SER   2           H        SER   2  31.686  16.368  -4.661
    7    HA   SER   2           HA       SER   2  32.382  15.502  -2.021
    8    HB2  SER   2          1HB       SER   2  29.709  15.352  -3.460
    9    HB3  SER   2          2HB       SER   2  29.968  15.228  -1.710
   10    HG   SER   2           HG       SER   2  29.371  17.356  -2.350
   11    H    SER   3           H        SER   3  31.898  13.551  -0.937
   12    HA   SER   3           HA       SER   3  32.387  11.086  -2.414
   13    HB2  SER   3          1HB       SER   3  33.229  11.605  -0.097
   14    HB3  SER   3          2HB       SER   3  31.568  11.398   0.492
   15    HG   SER   3           HG       SER   3  32.857   9.468   0.621
   16    H    GLY   4           H        GLY   4  30.982   9.150  -2.132
   17    HA2  GLY   4          1HA       GLY   4  28.154   9.345  -1.674
   18    HA3  GLY   4          2HA       GLY   4  28.491   9.448  -3.403
   19    H    SER   5           H        SER   5  27.013   7.468  -3.017
   20    HA   SER   5           HA       SER   5  26.609   5.248  -3.034
   21    HB2  SER   5          1HB       SER   5  29.392   5.080  -4.219
   22    HB3  SER   5          2HB       SER   5  28.104   3.872  -4.374
   23    HG   SER   5           HG       SER   5  28.199   5.282  -6.188
   24    H    SER   6           H        SER   6  27.704   6.160  -0.486
   25    HA   SER   6           HA       SER   6  28.292   3.534   0.705
   26    HB2  SER   6          1HB       SER   6  30.518   4.530   0.065
   27    HB3  SER   6          2HB       SER   6  30.172   5.886   1.155
   28    HG   SER   6           HG       SER   6  31.410   4.194   2.149
   29    H    GLY   7           H        GLY   7  28.015   3.479   2.965
   30    HA2  GLY   7          1HA       GLY   7  27.262   4.120   5.048
   31    HA3  GLY   7          2HA       GLY   7  26.957   5.749   4.488
   32    HA   PRO   8           HA       PRO   8  22.884   3.197   4.237
   33    HB2  PRO   8          1HB       PRO   8  22.122   2.302   6.674
   34    HB3  PRO   8          2HB       PRO   8  23.300   1.398   5.672
   35    HG2  PRO   8          1HG       PRO   8  23.889   3.350   7.929
   36    HG3  PRO   8          2HG       PRO   8  24.531   1.689   7.712
   37    HD2  PRO   8          1HD       PRO   8  25.898   3.925   6.900
   38    HD3  PRO   8          2HD       PRO   8  25.994   2.375   6.010
   39    H    ILE   9           H        ILE   9  20.724   3.827   5.085
   40    HA   ILE   9           HA       ILE   9  20.508   6.622   5.836
   41    HB   ILE   9           HB       ILE   9  18.194   6.403   5.808
   42   HG12  ILE   9          1HG1      ILE   9  17.766   4.274   6.870
   43   HG13  ILE   9          2HG1      ILE   9  16.938   4.472   5.346
   44   HG21  ILE   9          1HG2      ILE   9  19.401   4.938   3.430
   45   HG22  ILE   9          2HG2      ILE   9  17.843   5.783   3.476
   46   HG23  ILE   9          3HG2      ILE   9  19.347   6.691   3.685
   47   HD11  ILE   9          1HD1      ILE   9  17.676   2.178   5.580
   48   HD12  ILE   9          2HD1      ILE   9  18.579   2.922   4.253
   49   HD13  ILE   9          3HD1      ILE   9  19.346   2.677   5.846
   50    H    SER  10           H        SER  10  19.769   7.544   7.755
   51    HA   SER  10           HA       SER  10  20.555   6.213  10.187
   52    HB2  SER  10          1HB       SER  10  18.983   8.792   9.841
   53    HB3  SER  10          2HB       SER  10  19.872   8.281  11.285
   54    HG   SER  10           HG       SER  10  21.805   8.419  10.095
   55    H    GLU  11           H        GLU  11  17.441   6.559   8.601
   56    HA   GLU  11           HA       GLU  11  16.159   4.781  10.551
   57    HB2  GLU  11          1HB       GLU  11  15.828   7.074  11.482
   58    HB3  GLU  11          2HB       GLU  11  15.044   7.565   9.978
   59    HG2  GLU  11          1HG       GLU  11  13.212   5.986  10.370
   60    HG3  GLU  11          2HG       GLU  11  14.059   5.294  11.758
   61    H    ARG  12           H        ARG  12  14.399   3.661   9.666
   62    HA   ARG  12           HA       ARG  12  13.535   4.269   6.900
   63    HB2  ARG  12          1HB       ARG  12  15.479   2.590   6.920
   64    HB3  ARG  12          2HB       ARG  12  14.426   1.503   7.808
   65    HG2  ARG  12          1HG       ARG  12  14.295   0.738   5.631
   66    HG3  ARG  12          2HG       ARG  12  12.809   1.657   5.783
   67    HD2  ARG  12          1HD       ARG  12  15.406   2.622   4.485
   68    HD3  ARG  12          2HD       ARG  12  14.038   1.968   3.603
   69    HE   ARG  12           HE       ARG  12  14.335   4.662   4.648
   70   HH11  ARG  12          1HH1      ARG  12  11.883   2.344   3.645
   71   HH12  ARG  12          2HH1      ARG  12  10.731   3.622   3.301
   72   HH21  ARG  12          1HH2      ARG  12  12.730   6.188   4.290
   73   HH22  ARG  12          2HH2      ARG  12  11.124   5.644   3.836
   74    H    ASN  13           H        ASN  13  11.436   3.758   6.446
   75    HA   ASN  13           HA       ASN  13   9.713   3.237   8.775
   76    HB2  ASN  13          1HB       ASN  13   9.133   4.114   5.925
   77    HB3  ASN  13          2HB       ASN  13   7.895   3.903   7.152
   78   HD21  ASN  13          1HD2      ASN  13   9.314   6.333   5.641
   79   HD22  ASN  13          2HD2      ASN  13   9.458   7.471   6.984
   80    H    GLN  14           H        GLN  14   8.226   1.660   8.988
   81    HA   GLN  14           HA       GLN  14   7.687  -0.276   6.841
   82    HB2  GLN  14          1HB       GLN  14   9.614  -1.225   8.253
   83    HB3  GLN  14          2HB       GLN  14   8.487  -1.279   9.601
   84    HG2  GLN  14          1HG       GLN  14   8.510  -3.463   8.670
   85    HG3  GLN  14          2HG       GLN  14   6.977  -2.766   8.181
   86   HE21  GLN  14          1HE2      GLN  14   7.163  -4.666   6.555
   87   HE22  GLN  14          2HE2      GLN  14   8.084  -4.335   5.094
   88    H    ASP  15           H        ASP  15   6.953   0.739  10.238
   89    HA   ASP  15           HA       ASP  15   4.307  -0.342  10.255
   90    HB2  ASP  15          1HB       ASP  15   5.746   1.768  11.894
   91    HB3  ASP  15          2HB       ASP  15   4.039   1.435  12.146
   92    H    ALA  16           H        ALA  16   5.479   2.823   9.171
   93    HA   ALA  16           HA       ALA  16   2.762   3.720   8.476
   94    HB1  ALA  16          1HB       ALA  16   5.461   5.048   8.018
   95    HB2  ALA  16          2HB       ALA  16   3.858   5.789   7.832
   96    HB3  ALA  16          3HB       ALA  16   4.417   5.297   9.440
   97    H    THR  17           H        THR  17   4.607   1.426   7.111
   98    HA   THR  17           HA       THR  17   3.964   2.199   4.308
   99    HB   THR  17           HB       THR  17   5.699  -0.112   5.205
  100    HG1  THR  17          1HG       THR  17   7.405   1.240   4.584
  101   HG21  THR  17          1HG2      THR  17   5.434   1.278   2.494
  102   HG22  THR  17          2HG2      THR  17   4.792  -0.331   2.890
  103   HG23  THR  17          3HG2      THR  17   6.537  -0.049   2.875
  104    H    VAL  18           H        VAL  18   2.437   1.110   3.192
  105    HA   VAL  18           HA       VAL  18   0.995  -1.123   4.566
  106    HB   VAL  18           HB       VAL  18  -0.953  -0.658   3.286
  107   HG11  VAL  18          1HG1      VAL  18  -0.579   0.643   5.381
  108   HG12  VAL  18          2HG1      VAL  18   0.094   1.972   4.414
  109   HG13  VAL  18          3HG1      VAL  18  -1.597   1.501   4.205
  110   HG21  VAL  18          1HG2      VAL  18   0.500   1.680   2.022
  111   HG22  VAL  18          2HG2      VAL  18   0.027   0.191   1.167
  112   HG23  VAL  18          3HG2      VAL  18  -1.212   1.272   1.813
  113    H    TYR  19           H        TYR  19   0.461  -2.939   3.432
  114    HA   TYR  19           HA       TYR  19   2.054  -3.622   0.998
  115    HB2  TYR  19          1HB       TYR  19   2.396  -5.192   2.774
  116    HB3  TYR  19          2HB       TYR  19   0.689  -5.221   3.189
  117    HD1  TYR  19          1HD       TYR  19   3.224  -6.464   0.795
  118    HD2  TYR  19          2HD       TYR  19  -0.934  -6.535   1.937
  119    HE1  TYR  19          1HE       TYR  19   2.860  -8.456  -0.654
  120    HE2  TYR  19          2HE       TYR  19  -1.303  -8.510   0.459
  121    HH   TYR  19           HH       TYR  19   1.355  -9.998  -1.429
  122    H    VAL  20           H        VAL  20   1.006  -4.137  -0.874
  123    HA   VAL  20           HA       VAL  20  -1.983  -4.252  -0.951
  124    HB   VAL  20           HB       VAL  20  -0.274  -2.862  -3.053
  125   HG11  VAL  20          1HG1      VAL  20  -3.292  -3.038  -2.614
  126   HG12  VAL  20          2HG1      VAL  20  -2.482  -2.116  -3.895
  127   HG13  VAL  20          3HG1      VAL  20  -2.383  -3.886  -3.871
  128   HG21  VAL  20          1HG2      VAL  20  -0.245  -1.449  -1.051
  129   HG22  VAL  20          2HG2      VAL  20  -1.268  -0.749  -2.301
  130   HG23  VAL  20          3HG2      VAL  20  -2.011  -1.575  -0.910
  131    H    GLY  21           H        GLY  21  -2.391  -6.321  -1.471
  132    HA2  GLY  21          1HA       GLY  21  -0.662  -7.757  -3.459
  133    HA3  GLY  21          2HA       GLY  21  -1.688  -8.519  -2.254
  134    H    GLY  22           H        GLY  22  -1.544  -8.685  -5.263
  135    HA2  GLY  22          1HA       GLY  22  -3.284  -9.701  -6.533
  136    HA3  GLY  22          2HA       GLY  22  -4.504  -8.771  -5.662
  137    H    LEU  23           H        LEU  23  -1.552  -7.502  -7.237
  138    HA   LEU  23           HA       LEU  23  -3.064  -5.290  -8.370
  139    HB2  LEU  23          1HB       LEU  23  -0.127  -6.090  -8.534
  140    HB3  LEU  23          2HB       LEU  23  -0.790  -4.577  -9.144
  141    HG   LEU  23           HG       LEU  23  -0.718  -5.454  -6.222
  142   HD11  LEU  23          1HD1      LEU  23   0.777  -3.264  -7.714
  143   HD12  LEU  23          2HD1      LEU  23   1.461  -4.818  -7.206
  144   HD13  LEU  23          3HD1      LEU  23   0.906  -3.652  -5.986
  145   HD21  LEU  23          1HD2      LEU  23  -2.653  -4.088  -6.419
  146   HD22  LEU  23          2HD2      LEU  23  -1.874  -2.982  -7.563
  147   HD23  LEU  23          3HD2      LEU  23  -1.372  -2.999  -5.866
  148    H    ASP  24           H        ASP  24  -3.181  -4.707 -10.532
  149    HA   ASP  24           HA       ASP  24  -3.210  -6.960 -12.421
  150    HB2  ASP  24          1HB       ASP  24  -5.212  -5.545 -12.242
  151    HB3  ASP  24          2HB       ASP  24  -4.259  -4.105 -12.602
  152    H    GLU  25           H        GLU  25  -2.254  -6.727 -14.613
  153    HA   GLU  25           HA       GLU  25   0.473  -5.968 -14.545
  154    HB2  GLU  25          1HB       GLU  25   0.511  -6.520 -16.894
  155    HB3  GLU  25          2HB       GLU  25  -0.432  -7.706 -15.994
  156    HG2  GLU  25          1HG       GLU  25  -2.538  -6.617 -16.773
  157    HG3  GLU  25          2HG       GLU  25  -1.588  -5.434 -17.674
  158    H    LYS  26           H        LYS  26  -2.284  -3.925 -15.270
  159    HA   LYS  26           HA       LYS  26  -0.692  -1.823 -16.572
  160    HB2  LYS  26          1HB       LYS  26  -3.544  -1.896 -15.525
  161    HB3  LYS  26          2HB       LYS  26  -2.831  -0.533 -16.396
  162    HG2  LYS  26          1HG       LYS  26  -2.371  -1.985 -18.346
  163    HG3  LYS  26          2HG       LYS  26  -3.118  -3.356 -17.529
  164    HD2  LYS  26          1HD       LYS  26  -4.502  -0.757 -18.304
  165    HD3  LYS  26          2HD       LYS  26  -4.628  -2.285 -19.168
  166    HE2  LYS  26          1HE       LYS  26  -5.617  -1.730 -16.338
  167    HE3  LYS  26          2HE       LYS  26  -6.613  -1.846 -17.792
  168    HZ1  LYS  26          1HZ       LYS  26  -5.770  -4.192 -17.995
  169    HZ2  LYS  26          2HZ       LYS  26  -6.698  -3.942 -16.674
  170    HZ3  LYS  26          3HZ       LYS  26  -5.080  -4.039 -16.504
  171    H    VAL  27           H        VAL  27  -0.994  -2.722 -13.308
  172    HA   VAL  27           HA       VAL  27  -0.922  -0.068 -12.115
  173    HB   VAL  27           HB       VAL  27  -0.223  -2.781 -10.929
  174   HG11  VAL  27          1HG1      VAL  27   0.826  -1.015  -9.585
  175   HG12  VAL  27          2HG1      VAL  27  -0.701  -0.116  -9.533
  176   HG13  VAL  27          3HG1      VAL  27  -0.556  -1.695  -8.753
  177   HG21  VAL  27          1HG2      VAL  27  -2.463  -2.578  -9.855
  178   HG22  VAL  27          2HG2      VAL  27  -2.755  -1.079 -10.756
  179   HG23  VAL  27          3HG2      VAL  27  -2.593  -2.622 -11.614
  180    H    SER  28           H        SER  28   0.765   1.161 -11.431
  181    HA   SER  28           HA       SER  28   3.553   0.142 -11.678
  182    HB2  SER  28          1HB       SER  28   4.259   2.192 -12.741
  183    HB3  SER  28          2HB       SER  28   2.967   1.463 -13.704
  184    HG   SER  28           HG       SER  28   2.567   3.674 -13.450
  185    H    GLU  29           H        GLU  29   5.139   1.429 -10.407
  186    HA   GLU  29           HA       GLU  29   4.209   1.968  -7.777
  187    HB2  GLU  29          1HB       GLU  29   6.780   2.417  -9.303
  188    HB3  GLU  29          2HB       GLU  29   6.606   3.265  -7.780
  189    HG2  GLU  29          1HG       GLU  29   6.726   1.399  -6.499
  190    HG3  GLU  29          2HG       GLU  29   5.854   0.410  -7.643
  191    HA   PRO  30           HA       PRO  30   4.144   6.693  -8.844
  192    HB2  PRO  30          1HB       PRO  30   3.414   6.446 -11.766
  193    HB3  PRO  30          2HB       PRO  30   4.257   7.784 -10.921
  194    HG2  PRO  30          1HG       PRO  30   5.690   6.008 -12.361
  195    HG3  PRO  30          2HG       PRO  30   6.269   6.478 -10.726
  196    HD2  PRO  30          1HD       PRO  30   4.699   4.014 -11.527
  197    HD3  PRO  30          2HD       PRO  30   6.162   4.134 -10.509
  198    H    LEU  31           H        LEU  31   2.018   4.225 -10.373
  199    HA   LEU  31           HA       LEU  31  -0.420   5.780 -10.037
  200    HB2  LEU  31          1HB       LEU  31  -0.245   3.866 -11.645
  201    HB3  LEU  31          2HB       LEU  31  -0.026   2.769 -10.285
  202    HG   LEU  31           HG       LEU  31  -2.318   3.525  -9.401
  203   HD11  LEU  31          1HD1      LEU  31  -3.838   4.468 -11.102
  204   HD12  LEU  31          2HD1      LEU  31  -2.467   4.656 -12.222
  205   HD13  LEU  31          3HD1      LEU  31  -2.534   5.599 -10.709
  206   HD21  LEU  31          1HD2      LEU  31  -2.058   2.129 -12.083
  207   HD22  LEU  31          2HD2      LEU  31  -3.507   2.094 -11.056
  208   HD23  LEU  31          3HD2      LEU  31  -2.000   1.386 -10.463
  209    H    LEU  32           H        LEU  32   1.147   3.113  -8.203
  210    HA   LEU  32           HA       LEU  32  -0.714   3.131  -6.037
  211    HB2  LEU  32          1HB       LEU  32   2.260   2.411  -5.979
  212    HB3  LEU  32          2HB       LEU  32   1.060   2.010  -4.751
  213    HG   LEU  32           HG       LEU  32   1.286   0.891  -7.538
  214   HD11  LEU  32          1HD1      LEU  32   1.472  -1.213  -6.310
  215   HD12  LEU  32          2HD1      LEU  32   1.181  -0.374  -4.765
  216   HD13  LEU  32          3HD1      LEU  32   2.670  -0.053  -5.690
  217   HD21  LEU  32          1HD2      LEU  32  -0.740  -0.499  -6.850
  218   HD22  LEU  32          2HD2      LEU  32  -1.076   1.198  -7.239
  219   HD23  LEU  32          3HD2      LEU  32  -0.997   0.662  -5.537
  220    H    TRP  33           H        TRP  33   1.946   5.287  -6.686
  221    HA   TRP  33           HA       TRP  33   1.886   6.544  -4.069
  222    HB2  TRP  33          1HB       TRP  33   3.748   6.571  -5.804
  223    HB3  TRP  33          2HB       TRP  33   2.835   7.769  -6.686
  224    HD1  TRP  33           HD       TRP  33   2.019   9.692  -4.237
  225    HE1  TRP  33          1HE       TRP  33   3.848  11.062  -3.047
  226    HE3  TRP  33          3HE       TRP  33   6.064   6.927  -5.596
  227    HZ2  TRP  33          2HZ       TRP  33   6.737  11.017  -2.820
  228    HZ3  TRP  33          3HZ       TRP  33   8.376   7.621  -4.920
  229    HH2  TRP  33           HH       TRP  33   8.710   9.663  -3.541
  230    H    GLU  34           H        GLU  34   0.814   7.844  -7.227
  231    HA   GLU  34           HA       GLU  34  -0.602  10.023  -6.073
  232    HB2  GLU  34          1HB       GLU  34  -0.859   8.751  -8.835
  233    HB3  GLU  34          2HB       GLU  34  -1.588  10.293  -8.357
  234    HG2  GLU  34          1HG       GLU  34   0.709  11.087  -7.685
  235    HG3  GLU  34          2HG       GLU  34   1.389   9.655  -8.447
  236    H    LEU  35           H        LEU  35  -1.833   6.807  -6.850
  237    HA   LEU  35           HA       LEU  35  -4.630   7.457  -6.521
  238    HB2  LEU  35          1HB       LEU  35  -3.498   5.357  -7.618
  239    HB3  LEU  35          2HB       LEU  35  -3.369   4.762  -5.961
  240    HG   LEU  35           HG       LEU  35  -5.928   5.184  -5.843
  241   HD11  LEU  35          1HD1      LEU  35  -7.112   4.994  -7.984
  242   HD12  LEU  35          2HD1      LEU  35  -5.568   5.077  -8.860
  243   HD13  LEU  35          3HD1      LEU  35  -6.149   6.479  -7.933
  244   HD21  LEU  35          1HD2      LEU  35  -4.788   2.992  -7.609
  245   HD22  LEU  35          2HD2      LEU  35  -6.377   2.970  -6.802
  246   HD23  LEU  35          3HD2      LEU  35  -4.899   2.969  -5.832
  247    H    PHE  36           H        PHE  36  -2.058   6.652  -4.224
  248    HA   PHE  36           HA       PHE  36  -3.945   6.198  -1.995
  249    HB2  PHE  36          1HB       PHE  36  -1.010   5.772  -2.462
  250    HB3  PHE  36          2HB       PHE  36  -1.618   5.806  -0.853
  251    HD1  PHE  36          1HD       PHE  36  -2.331   4.065  -4.128
  252    HD2  PHE  36          2HD       PHE  36  -2.344   3.823   0.165
  253    HE1  PHE  36          1HE       PHE  36  -3.014   1.685  -4.269
  254    HE2  PHE  36          2HE       PHE  36  -3.059   1.451   0.030
  255    HZ   PHE  36           HZ       PHE  36  -3.423   0.386  -2.188
  256    H    LEU  37           H        LEU  37  -2.187   8.880  -3.262
  257    HA   LEU  37           HA       LEU  37  -1.856  10.507  -0.984
  258    HB2  LEU  37          1HB       LEU  37  -2.699  11.138  -3.835
  259    HB3  LEU  37          2HB       LEU  37  -2.379  12.390  -2.645
  260    HG   LEU  37           HG       LEU  37  -0.332  10.383  -3.628
  261   HD11  LEU  37          1HD1      LEU  37  -0.988  12.145  -5.271
  262   HD12  LEU  37          2HD1      LEU  37   0.690  12.308  -4.718
  263   HD13  LEU  37          3HD1      LEU  37  -0.571  13.383  -4.072
  264   HD21  LEU  37          1HD2      LEU  37   1.286  11.828  -2.399
  265   HD22  LEU  37          2HD2      LEU  37   0.147  11.007  -1.323
  266   HD23  LEU  37          3HD2      LEU  37  -0.087  12.725  -1.698
  267    H    GLN  38           H        GLN  38  -4.809   9.367  -2.280
  268    HA   GLN  38           HA       GLN  38  -6.668  11.293  -1.222
  269    HB2  GLN  38          1HB       GLN  38  -7.074   8.296  -1.638
  270    HB3  GLN  38          2HB       GLN  38  -8.334   9.532  -1.504
  271    HG2  GLN  38          1HG       GLN  38  -7.425  10.613  -3.594
  272    HG3  GLN  38          2HG       GLN  38  -6.264   9.274  -3.699
  273   HE21  GLN  38          1HE2      GLN  38  -6.983   7.208  -4.376
  274   HE22  GLN  38          2HE2      GLN  38  -8.615   6.962  -5.022
  275    H    ALA  39           H        ALA  39  -4.999   8.521   0.241
  276    HA   ALA  39           HA       ALA  39  -6.592   8.580   2.705
  277    HB1  ALA  39          1HB       ALA  39  -5.629   6.473   1.855
  278    HB2  ALA  39          2HB       ALA  39  -3.999   7.151   1.982
  279    HB3  ALA  39          3HB       ALA  39  -4.951   6.877   3.447
  280    H    GLY  40           H        GLY  40  -3.276   9.545   1.767
  281    HA2  GLY  40          1HA       GLY  40  -3.157  11.846   3.449
  282    HA3  GLY  40          2HA       GLY  40  -2.377  10.487   4.265
  283    HA   PRO  41           HA       PRO  41   0.650  12.639   1.386
  284    HB2  PRO  41          1HB       PRO  41   2.645  13.133   3.210
  285    HB3  PRO  41          2HB       PRO  41   1.250  14.219   2.934
  286    HG2  PRO  41          1HG       PRO  41   1.546  12.091   5.075
  287    HG3  PRO  41          2HG       PRO  41   1.045  13.797   5.283
  288    HD2  PRO  41          1HD       PRO  41  -0.748  11.762   5.108
  289    HD3  PRO  41          2HD       PRO  41  -1.105  13.328   4.322
  290    H    VAL  42           H        VAL  42   1.365  11.054   0.149
  291    HA   VAL  42           HA       VAL  42   2.766   8.677   1.197
  292    HB   VAL  42           HB       VAL  42   2.072   9.447  -1.652
  293   HG11  VAL  42          1HG1      VAL  42   3.261   6.886  -0.492
  294   HG12  VAL  42          2HG1      VAL  42   2.624   7.051  -2.135
  295   HG13  VAL  42          3HG1      VAL  42   4.036   7.980  -1.658
  296   HG21  VAL  42          1HG2      VAL  42   0.833   7.362   0.189
  297   HG22  VAL  42          2HG2      VAL  42   0.065   8.889  -0.298
  298   HG23  VAL  42          3HG2      VAL  42   0.404   7.656  -1.511
  299    H    VAL  43           H        VAL  43   4.829   8.377   1.174
  300    HA   VAL  43           HA       VAL  43   6.669  10.612   0.460
  301    HB   VAL  43           HB       VAL  43   7.146   8.287   2.364
  302   HG11  VAL  43          1HG1      VAL  43   8.389  11.067   2.194
  303   HG12  VAL  43          2HG1      VAL  43   8.733   9.857   3.444
  304   HG13  VAL  43          3HG1      VAL  43   9.183   9.529   1.764
  305   HG21  VAL  43          1HG2      VAL  43   5.166   9.440   3.185
  306   HG22  VAL  43          2HG2      VAL  43   6.548   9.816   4.207
  307   HG23  VAL  43          3HG2      VAL  43   5.970  11.019   3.027
  308    H    ASN  44           H        ASN  44   6.149   7.156  -0.024
  309    HA   ASN  44           HA       ASN  44   8.081   6.953  -2.202
  310    HB2  ASN  44          1HB       ASN  44   9.629   6.836  -0.353
  311    HB3  ASN  44          2HB       ASN  44   8.591   5.769   0.553
  312   HD21  ASN  44          1HD2      ASN  44   9.641   3.878   0.774
  313   HD22  ASN  44          2HD2      ASN  44  10.436   3.030  -0.561
  314    H    THR  45           H        THR  45   8.011   4.784  -3.220
  315    HA   THR  45           HA       THR  45   5.878   2.914  -2.378
  316    HB   THR  45           HB       THR  45   5.358   2.562  -4.883
  317    HG1  THR  45          1HG       THR  45   5.410   4.515  -6.054
  318   HG21  THR  45          1HG2      THR  45   3.755   3.453  -3.241
  319   HG22  THR  45          2HG2      THR  45   3.539   4.049  -4.881
  320   HG23  THR  45          3HG2      THR  45   4.290   5.105  -3.646
  321    H    HIS  46           H        HIS  46   6.136   0.746  -3.176
  322    HA   HIS  46           HA       HIS  46   8.653   0.131  -4.616
  323    HB2  HIS  46          1HB       HIS  46   8.953   0.031  -2.005
  324    HB3  HIS  46          2HB       HIS  46   7.936  -1.389  -2.093
  325    HD2  HIS  46          2HD       HIS  46  11.473  -0.220  -2.825
  326    HE1  HIS  46          1HE       HIS  46  11.322  -4.280  -4.127
  327    HE2  HIS  46          2HE       HIS  46  12.857  -2.299  -3.672
  328    H    MET  47           H        MET  47   8.300  -1.425  -6.140
  329    HA   MET  47           HA       MET  47   6.216  -3.514  -5.615
  330    HB2  MET  47          1HB       MET  47   6.518  -1.919  -8.167
  331    HB3  MET  47          2HB       MET  47   5.753  -3.508  -8.100
  332    HG2  MET  47          1HG       MET  47   4.066  -2.758  -6.580
  333    HG3  MET  47          2HG       MET  47   4.865  -1.206  -6.335
  334    HE1  MET  47          1HE       MET  47   4.219  -2.997  -9.880
  335    HE2  MET  47          2HE       MET  47   2.975  -3.514  -8.714
  336    HE3  MET  47          3HE       MET  47   2.537  -2.478 -10.100
  337    HA   PRO  48           HA       PRO  48  10.117  -5.705  -6.354
  338    HB2  PRO  48          1HB       PRO  48   8.230  -7.960  -5.634
  339    HB3  PRO  48          2HB       PRO  48   9.951  -7.740  -5.171
  340    HG2  PRO  48          1HG       PRO  48   8.037  -7.085  -3.404
  341    HG3  PRO  48          2HG       PRO  48   9.375  -5.930  -3.681
  342    HD2  PRO  48          1HD       PRO  48   6.586  -5.895  -4.887
  343    HD3  PRO  48          2HD       PRO  48   7.492  -4.547  -4.127
  344    H    LYS  49           H        LYS  49  10.929  -6.802  -8.110
  345    HA   LYS  49           HA       LYS  49   9.051  -7.272 -10.388
  346    HB2  LYS  49          1HB       LYS  49  11.960  -6.423 -10.534
  347    HB3  LYS  49          2HB       LYS  49  10.836  -6.582 -11.875
  348    HG2  LYS  49          1HG       LYS  49  10.779  -4.488  -9.676
  349    HG3  LYS  49          2HG       LYS  49  11.200  -4.261 -11.374
  350    HD2  LYS  49          1HD       LYS  49   8.816  -4.975 -11.959
  351    HD3  LYS  49          2HD       LYS  49   8.446  -4.877 -10.234
  352    HE2  LYS  49          1HE       LYS  49   9.340  -2.616 -12.077
  353    HE3  LYS  49          2HE       LYS  49   7.757  -2.831 -11.326
  354    HZ1  LYS  49          1HZ       LYS  49   9.010  -2.659  -9.135
  355    HZ2  LYS  49          2HZ       LYS  49   8.857  -1.264  -9.967
  356    HZ3  LYS  49          3HZ       LYS  49  10.282  -2.079  -9.983
  357    H    ASP  50           H        ASP  50   9.309  -8.899 -11.779
  358    HA   ASP  50           HA       ASP  50  10.499 -11.392 -10.959
  359    HB2  ASP  50          1HB       ASP  50   8.461 -11.256 -12.321
  360    HB3  ASP  50          2HB       ASP  50   9.335 -10.407 -13.592
  361    H    ARG  51           H        ARG  51  12.311 -12.464 -11.721
  362    HA   ARG  51           HA       ARG  51  14.491 -10.737 -12.631
  363    HB2  ARG  51          1HB       ARG  51  15.970 -12.428 -11.875
  364    HB3  ARG  51          2HB       ARG  51  14.724 -12.156 -10.661
  365    HG2  ARG  51          1HG       ARG  51  13.516 -14.201 -11.462
  366    HG3  ARG  51          2HG       ARG  51  14.810 -14.489 -12.634
  367    HD2  ARG  51          1HD       ARG  51  15.177 -14.356  -9.614
  368    HD3  ARG  51          2HD       ARG  51  14.994 -15.840 -10.537
  369    HE   ARG  51           HE       ARG  51  17.372 -14.136 -10.349
  370   HH11  ARG  51          1HH1      ARG  51  15.925 -16.710 -12.244
  371   HH12  ARG  51          2HH1      ARG  51  17.456 -17.185 -12.925
  372   HH21  ARG  51          1HH2      ARG  51  19.280 -14.795 -11.259
  373   HH22  ARG  51          2HH2      ARG  51  19.300 -16.128 -12.376
  374    H    VAL  52           H        VAL  52  12.363 -12.117 -14.586
  375    HA   VAL  52           HA       VAL  52  14.389 -12.878 -16.672
  376    HB   VAL  52           HB       VAL  52  11.735 -14.292 -16.186
  377   HG11  VAL  52          1HG1      VAL  52  12.423 -14.359 -18.545
  378   HG12  VAL  52          2HG1      VAL  52  14.048 -14.913 -18.075
  379   HG13  VAL  52          3HG1      VAL  52  12.626 -15.946 -17.808
  380   HG21  VAL  52          1HG2      VAL  52  14.570 -15.206 -15.534
  381   HG22  VAL  52          2HG2      VAL  52  13.232 -14.938 -14.386
  382   HG23  VAL  52          3HG2      VAL  52  13.137 -16.261 -15.543
  383    H    THR  53           H        THR  53  11.141 -11.638 -15.937
  384    HA   THR  53           HA       THR  53  10.887 -10.554 -18.704
  385    HB   THR  53           HB       THR  53   8.480 -10.544 -18.316
  386    HG1  THR  53          1HG       THR  53   9.101 -11.794 -15.845
  387   HG21  THR  53          1HG2      THR  53   9.483 -12.630 -19.222
  388   HG22  THR  53          2HG2      THR  53   8.013 -12.921 -18.274
  389   HG23  THR  53          3HG2      THR  53   9.605 -13.278 -17.571
  390    H    GLY  54           H        GLY  54  11.363  -9.647 -15.445
  391    HA2  GLY  54          1HA       GLY  54  11.691  -7.633 -14.475
  392    HA3  GLY  54          2HA       GLY  54  11.551  -6.898 -16.074
  393    H    GLN  55           H        GLN  55   8.714  -8.612 -15.398
  394    HA   GLN  55           HA       GLN  55   7.142  -6.179 -14.932
  395    HB2  GLN  55          1HB       GLN  55   6.209  -9.073 -15.016
  396    HB3  GLN  55          2HB       GLN  55   5.220  -7.624 -15.184
  397    HG2  GLN  55          1HG       GLN  55   7.245  -8.731 -17.166
  398    HG3  GLN  55          2HG       GLN  55   5.507  -8.611 -17.364
  399   HE21  GLN  55          1HE2      GLN  55   8.471  -7.073 -18.089
  400   HE22  GLN  55          2HE2      GLN  55   7.788  -5.513 -18.548
  401    H    HIS  56           H        HIS  56   5.473  -6.122 -13.115
  402    HA   HIS  56           HA       HIS  56   6.822  -6.650 -10.599
  403    HB2  HIS  56          1HB       HIS  56   5.048  -5.575  -9.511
  404    HB3  HIS  56          2HB       HIS  56   5.391  -4.670 -10.978
  405    HD2  HIS  56          2HD       HIS  56   3.292  -4.078 -12.426
  406    HE1  HIS  56          1HE       HIS  56   0.482  -6.788 -10.719
  407    HE2  HIS  56          2HE       HIS  56   0.762  -4.837 -12.306
  408    H    GLN  57           H        GLN  57   6.124  -7.917  -8.848
  409    HA   GLN  57           HA       GLN  57   5.366 -10.592  -9.726
  410    HB2  GLN  57          1HB       GLN  57   6.374  -9.507  -7.076
  411    HB3  GLN  57          2HB       GLN  57   6.065 -11.219  -7.402
  412    HG2  GLN  57          1HG       GLN  57   7.688 -11.179  -9.275
  413    HG3  GLN  57          2HG       GLN  57   8.049  -9.488  -8.934
  414   HE21  GLN  57          1HE2      GLN  57   8.219 -12.802  -7.518
  415   HE22  GLN  57          2HE2      GLN  57   9.527 -12.392  -6.418
  416    H    GLY  58           H        GLY  58   3.184  -8.423  -9.417
  417    HA2  GLY  58          1HA       GLY  58   0.894  -8.699  -9.156
  418    HA3  GLY  58          2HA       GLY  58   1.145 -10.206  -8.281
  419    H    TYR  59           H        TYR  59   3.101  -7.900  -6.814
  420    HA   TYR  59           HA       TYR  59   1.022  -6.686  -5.128
  421    HB2  TYR  59          1HB       TYR  59   1.948  -7.447  -3.051
  422    HB3  TYR  59          2HB       TYR  59   1.501  -8.829  -4.026
  423    HD1  TYR  59          1HD       TYR  59   4.223  -7.095  -2.318
  424    HD2  TYR  59          2HD       TYR  59   3.284 -10.213  -5.151
  425    HE1  TYR  59          1HE       TYR  59   6.468  -8.103  -1.962
  426    HE2  TYR  59          2HE       TYR  59   5.562 -11.172  -4.849
  427    HH   TYR  59           HH       TYR  59   7.933  -9.768  -2.557
  428    H    GLY  60           H        GLY  60   1.825  -5.061  -3.685
  429    HA2  GLY  60          1HA       GLY  60   4.444  -3.806  -4.259
  430    HA3  GLY  60          2HA       GLY  60   2.985  -2.925  -4.714
  431    H    PHE  61           H        PHE  61   4.402  -1.566  -3.128
  432    HA   PHE  61           HA       PHE  61   3.035  -1.580  -0.506
  433    HB2  PHE  61          1HB       PHE  61   6.021  -1.183  -0.927
  434    HB3  PHE  61          2HB       PHE  61   5.176  -1.014   0.592
  435    HD1  PHE  61          1HD       PHE  61   6.483  -3.422  -1.887
  436    HD2  PHE  61          2HD       PHE  61   4.485  -2.952   1.904
  437    HE1  PHE  61          1HE       PHE  61   6.978  -5.790  -1.334
  438    HE2  PHE  61          2HE       PHE  61   4.999  -5.319   2.467
  439    HZ   PHE  61           HZ       PHE  61   6.237  -6.744   0.844
  440    H    VAL  62           H        VAL  62   2.822   0.435   0.470
  441    HA   VAL  62           HA       VAL  62   3.754   2.855  -1.015
  442    HB   VAL  62           HB       VAL  62   0.956   2.671   0.153
  443   HG11  VAL  62          1HG1      VAL  62   0.622   4.729  -1.145
  444   HG12  VAL  62          2HG1      VAL  62   1.900   4.930   0.047
  445   HG13  VAL  62          3HG1      VAL  62   2.311   4.688  -1.670
  446   HG21  VAL  62          1HG2      VAL  62   1.828   2.336  -2.725
  447   HG22  VAL  62          2HG2      VAL  62   0.942   1.156  -1.735
  448   HG23  VAL  62          3HG2      VAL  62   0.159   2.660  -2.212
  449    H    GLU  63           H        GLU  63   4.728   4.297   0.262
  450    HA   GLU  63           HA       GLU  63   4.725   3.820   3.209
  451    HB2  GLU  63          1HB       GLU  63   6.821   3.593   1.901
  452    HB3  GLU  63          2HB       GLU  63   6.666   5.297   1.430
  453    HG2  GLU  63          1HG       GLU  63   6.832   6.004   3.766
  454    HG3  GLU  63          2HG       GLU  63   6.928   4.324   4.296
  455    H    PHE  64           H        PHE  64   3.596   5.181   4.437
  456    HA   PHE  64           HA       PHE  64   2.933   7.909   3.471
  457    HB2  PHE  64          1HB       PHE  64   1.809   6.155   5.676
  458    HB3  PHE  64          2HB       PHE  64   1.400   7.849   5.479
  459    HD1  PHE  64          1HD       PHE  64   1.015   4.485   3.989
  460    HD2  PHE  64          2HD       PHE  64   0.162   8.687   3.577
  461    HE1  PHE  64          1HE       PHE  64  -0.708   3.966   2.269
  462    HE2  PHE  64          2HE       PHE  64  -1.563   8.162   1.853
  463    HZ   PHE  64           HZ       PHE  64  -2.023   5.826   1.236
  464    H    LEU  65           H        LEU  65   3.065   9.696   4.905
  465    HA   LEU  65           HA       LEU  65   5.558  10.008   6.210
  466    HB2  LEU  65          1HB       LEU  65   3.940  11.769   5.224
  467    HB3  LEU  65          2HB       LEU  65   3.046  11.621   6.743
  468    HG   LEU  65           HG       LEU  65   5.246  12.230   7.933
  469   HD11  LEU  65          1HD1      LEU  65   5.985  13.081   5.095
  470   HD12  LEU  65          2HD1      LEU  65   6.810  11.830   6.053
  471   HD13  LEU  65          3HD1      LEU  65   6.873  13.518   6.572
  472   HD21  LEU  65          1HD2      LEU  65   3.375  13.817   7.653
  473   HD22  LEU  65          2HD2      LEU  65   3.980  14.266   6.043
  474   HD23  LEU  65          3HD2      LEU  65   4.932  14.644   7.498
  475    H    SER  66           H        SER  66   2.423   9.025   7.537
  476    HA   SER  66           HA       SER  66   3.705   8.354  10.133
  477    HB2  SER  66          1HB       SER  66   1.087   9.882   9.976
  478    HB3  SER  66          2HB       SER  66   1.986   9.416  11.423
  479    HG   SER  66           HG       SER  66   2.302  11.622  10.867
  480    H    GLU  67           H        GLU  67   2.532   6.850  11.414
  481    HA   GLU  67           HA       GLU  67   1.390   4.700   9.941
  482    HB2  GLU  67          1HB       GLU  67   2.662   4.481  12.015
  483    HB3  GLU  67          2HB       GLU  67   1.375   5.299  12.919
  484    HG2  GLU  67          1HG       GLU  67  -0.168   3.448  12.470
  485    HG3  GLU  67          2HG       GLU  67   0.999   2.697  11.376
  486    H    GLU  68           H        GLU  68  -0.241   7.368  11.655
  487    HA   GLU  68           HA       GLU  68  -2.872   6.189  11.506
  488    HB2  GLU  68          1HB       GLU  68  -3.697   8.372  12.137
  489    HB3  GLU  68          2HB       GLU  68  -2.305   7.927  13.123
  490    HG2  GLU  68          1HG       GLU  68  -0.853   9.389  11.687
  491    HG3  GLU  68          2HG       GLU  68  -2.281   9.868  10.767
  492    H    ASP  69           H        ASP  69  -0.951   7.856   9.116
  493    HA   ASP  69           HA       ASP  69  -3.213   8.308   7.270
  494    HB2  ASP  69          1HB       ASP  69  -0.199   8.565   6.974
  495    HB3  ASP  69          2HB       ASP  69  -1.342   8.915   5.694
  496    H    ALA  70           H        ALA  70  -0.678   5.882   7.858
  497    HA   ALA  70           HA       ALA  70  -1.245   4.272   5.522
  498    HB1  ALA  70          1HB       ALA  70   0.126   2.588   6.725
  499    HB2  ALA  70          2HB       ALA  70   0.894   4.182   6.796
  500    HB3  ALA  70          3HB       ALA  70   0.038   3.537   8.208
  501    H    ASP  71           H        ASP  71  -2.345   4.105   8.951
  502    HA   ASP  71           HA       ASP  71  -4.081   1.891   8.764
  503    HB2  ASP  71          1HB       ASP  71  -3.375   3.014  10.843
  504    HB3  ASP  71          2HB       ASP  71  -4.350   4.423  10.422
  505    H    TYR  72           H        TYR  72  -4.698   5.275   7.817
  506    HA   TYR  72           HA       TYR  72  -7.508   4.852   7.234
  507    HB2  TYR  72          1HB       TYR  72  -6.366   7.057   7.771
  508    HB3  TYR  72          2HB       TYR  72  -5.713   7.040   6.139
  509    HD1  TYR  72          1HD       TYR  72  -7.344   7.059   4.164
  510    HD2  TYR  72          2HD       TYR  72  -8.635   7.666   8.232
  511    HE1  TYR  72          1HE       TYR  72  -9.443   8.095   3.334
  512    HE2  TYR  72          2HE       TYR  72 -10.758   8.677   7.399
  513    HH   TYR  72           HH       TYR  72 -11.452   9.053   3.902
  514    H    ALA  73           H        ALA  73  -4.503   4.631   5.248
  515    HA   ALA  73           HA       ALA  73  -5.895   4.281   2.735
  516    HB1  ALA  73          1HB       ALA  73  -3.716   3.552   1.932
  517    HB2  ALA  73          2HB       ALA  73  -3.527   4.991   2.955
  518    HB3  ALA  73          3HB       ALA  73  -3.106   3.389   3.593
  519    H    ILE  74           H        ILE  74  -4.773   2.000   5.244
  520    HA   ILE  74           HA       ILE  74  -5.597  -0.415   3.912
  521    HB   ILE  74           HB       ILE  74  -5.384   0.207   6.886
  522   HG12  ILE  74          1HG1      ILE  74  -3.324  -1.223   5.152
  523   HG13  ILE  74          2HG1      ILE  74  -3.282   0.515   5.387
  524   HG21  ILE  74          1HG2      ILE  74  -5.472  -2.457   5.397
  525   HG22  ILE  74          2HG2      ILE  74  -5.086  -2.298   7.116
  526   HG23  ILE  74          3HG2      ILE  74  -6.686  -1.853   6.541
  527   HD11  ILE  74          1HD1      ILE  74  -3.062   0.250   7.800
  528   HD12  ILE  74          2HD1      ILE  74  -3.089  -1.519   7.627
  529   HD13  ILE  74          3HD1      ILE  74  -1.769  -0.574   6.923
  530    H    LYS  75           H        LYS  75  -7.401   1.956   5.866
  531    HA   LYS  75           HA       LYS  75  -9.851   0.440   6.000
  532    HB2  LYS  75          1HB       LYS  75  -9.305   2.247   7.559
  533    HB3  LYS  75          2HB       LYS  75  -9.375   3.439   6.258
  534    HG2  LYS  75          1HG       LYS  75 -11.747   3.015   5.902
  535    HG3  LYS  75          2HG       LYS  75 -11.716   1.705   7.100
  536    HD2  LYS  75          1HD       LYS  75 -11.105   3.349   8.866
  537    HD3  LYS  75          2HD       LYS  75 -11.118   4.652   7.656
  538    HE2  LYS  75          1HE       LYS  75 -13.515   4.189   7.188
  539    HE3  LYS  75          2HE       LYS  75 -13.502   2.886   8.384
  540    HZ1  LYS  75          1HZ       LYS  75 -14.375   4.945   9.329
  541    HZ2  LYS  75          2HZ       LYS  75 -13.002   5.755   8.987
  542    HZ3  LYS  75          3HZ       LYS  75 -12.989   4.550  10.093
  543    H    ILE  76           H        ILE  76  -8.764   2.952   3.625
  544    HA   ILE  76           HA       ILE  76 -11.296   2.598   2.187
  545    HB   ILE  76           HB       ILE  76 -10.520   4.374   0.724
  546   HG12  ILE  76          1HG1      ILE  76  -8.173   4.883   2.568
  547   HG13  ILE  76          2HG1      ILE  76  -7.986   3.912   1.126
  548   HG21  ILE  76          1HG2      ILE  76 -10.816   6.146   2.378
  549   HG22  ILE  76          2HG2      ILE  76 -11.821   4.768   2.835
  550   HG23  ILE  76          3HG2      ILE  76 -10.289   5.072   3.688
  551   HD11  ILE  76          1HD1      ILE  76  -8.941   5.843  -0.204
  552   HD12  ILE  76          2HD1      ILE  76  -8.859   6.808   1.295
  553   HD13  ILE  76          3HD1      ILE  76  -7.381   6.148   0.566
  554    H    MET  77           H        MET  77  -7.933   1.568   1.533
  555    HA   MET  77           HA       MET  77  -8.690   0.898  -1.239
  556    HB2  MET  77          1HB       MET  77  -6.047   0.975   0.154
  557    HB3  MET  77          2HB       MET  77  -6.232   0.443  -1.509
  558    HG2  MET  77          1HG       MET  77  -7.235   3.150  -0.615
  559    HG3  MET  77          2HG       MET  77  -5.571   2.901  -1.069
  560    HE1  MET  77          1HE       MET  77  -5.421   4.480  -3.341
  561    HE2  MET  77          2HE       MET  77  -7.008   4.901  -4.019
  562    HE3  MET  77          3HE       MET  77  -6.737   5.055  -2.279
  563    H    ASP  78           H        ASP  78  -9.062  -0.774   1.472
  564    HA   ASP  78           HA       ASP  78  -8.208  -3.403   0.422
  565    HB2  ASP  78          1HB       ASP  78  -7.938  -2.868   2.844
  566    HB3  ASP  78          2HB       ASP  78  -9.700  -2.795   2.992
  567    H    MET  79           H        MET  79  -9.656  -5.067  -0.137
  568    HA   MET  79           HA       MET  79 -11.334  -5.934  -1.343
  569    HB2  MET  79          1HB       MET  79 -13.240  -4.161   0.210
  570    HB3  MET  79          2HB       MET  79 -13.637  -5.630  -0.661
  571    HG2  MET  79          1HG       MET  79 -11.875  -5.430   1.804
  572    HG3  MET  79          2HG       MET  79 -13.533  -5.998   1.756
  573    HE1  MET  79          1HE       MET  79 -14.347  -8.268   0.829
  574    HE2  MET  79          2HE       MET  79 -13.667  -7.961  -0.788
  575    HE3  MET  79          3HE       MET  79 -13.310  -9.483   0.052
  576    H    ILE  80           H        ILE  80 -10.321  -2.985  -2.053
  577    HA   ILE  80           HA       ILE  80 -12.242  -2.148  -4.075
  578    HB   ILE  80           HB       ILE  80  -9.609  -1.255  -3.007
  579   HG12  ILE  80          1HG1      ILE  80 -12.272   0.019  -3.689
  580   HG13  ILE  80          2HG1      ILE  80 -11.553  -0.268  -2.105
  581   HG21  ILE  80          1HG2      ILE  80  -9.021   0.258  -4.707
  582   HG22  ILE  80          2HG2      ILE  80  -9.006  -1.353  -5.371
  583   HG23  ILE  80          3HG2      ILE  80 -10.375  -0.266  -5.753
  584   HD11  ILE  80          1HD1      ILE  80 -10.791   1.835  -4.168
  585   HD12  ILE  80          2HD1      ILE  80 -11.405   2.078  -2.527
  586   HD13  ILE  80          3HD1      ILE  80  -9.759   1.465  -2.780
  587    H    LYS  81           H        LYS  81 -11.845  -2.107  -6.349
  588    HA   LYS  81           HA       LYS  81 -10.278  -4.428  -7.395
  589    HB2  LYS  81          1HB       LYS  81 -12.955  -3.294  -8.272
  590    HB3  LYS  81          2HB       LYS  81 -12.045  -4.544  -9.132
  591    HG2  LYS  81          1HG       LYS  81 -12.163  -5.978  -7.049
  592    HG3  LYS  81          2HG       LYS  81 -13.205  -4.753  -6.320
  593    HD2  LYS  81          1HD       LYS  81 -14.651  -6.442  -7.146
  594    HD3  LYS  81          2HD       LYS  81 -14.795  -5.082  -8.270
  595    HE2  LYS  81          1HE       LYS  81 -13.136  -6.230  -9.780
  596    HE3  LYS  81          2HE       LYS  81 -13.135  -7.608  -8.671
  597    HZ1  LYS  81          1HZ       LYS  81 -15.526  -6.607 -10.131
  598    HZ2  LYS  81          2HZ       LYS  81 -15.519  -7.879  -9.105
  599    HZ3  LYS  81          3HZ       LYS  81 -14.690  -7.956 -10.508
  600    H    LEU  82           H        LEU  82  -8.510  -2.821  -7.474
  601    HA   LEU  82           HA       LEU  82  -8.478  -0.610  -9.276
  602    HB2  LEU  82          1HB       LEU  82  -6.817  -1.058  -7.482
  603    HB3  LEU  82          2HB       LEU  82  -6.217  -2.452  -8.375
  604    HG   LEU  82           HG       LEU  82  -5.360  -1.009 -10.154
  605   HD11  LEU  82          1HD1      LEU  82  -6.970   0.816 -10.226
  606   HD12  LEU  82          2HD1      LEU  82  -5.394   1.496  -9.838
  607   HD13  LEU  82          3HD1      LEU  82  -6.594   1.271  -8.549
  608   HD21  LEU  82          1HD2      LEU  82  -4.643   0.059  -7.385
  609   HD22  LEU  82          2HD2      LEU  82  -3.645   0.189  -8.846
  610   HD23  LEU  82          3HD2      LEU  82  -3.968  -1.403  -8.136
  611    H    TYR  83           H        TYR  83  -8.287  -0.481 -11.532
  612    HA   TYR  83           HA       TYR  83  -8.923  -1.264 -13.570
  613    HB2  TYR  83          1HB       TYR  83  -6.477  -2.995 -13.132
  614    HB3  TYR  83          2HB       TYR  83  -7.199  -2.629 -14.688
  615    HD1  TYR  83          1HD       TYR  83  -4.590  -1.722 -12.585
  616    HD2  TYR  83          2HD       TYR  83  -7.591   0.000 -15.162
  617    HE1  TYR  83          1HE       TYR  83  -3.144   0.270 -12.950
  618    HE2  TYR  83          2HE       TYR  83  -6.155   2.001 -15.499
  619    HH   TYR  83           HH       TYR  83  -4.160   3.015 -15.020
  620    H    GLY  84           H        GLY  84 -10.426  -2.829 -11.491
  621    HA2  GLY  84          1HA       GLY  84 -12.117  -4.378 -11.703
  622    HA3  GLY  84          2HA       GLY  84 -11.586  -4.752 -13.339
  623    H    LYS  85           H        LYS  85  -9.465  -5.085 -10.524
  624    HA   LYS  85           HA       LYS  85  -9.675  -8.014 -10.425
  625    HB2  LYS  85          1HB       LYS  85  -7.811  -7.449 -11.958
  626    HB3  LYS  85          2HB       LYS  85  -7.084  -6.433 -10.705
  627    HG2  LYS  85          1HG       LYS  85  -6.878  -8.453  -9.229
  628    HG3  LYS  85          2HG       LYS  85  -7.563  -9.446 -10.529
  629    HD2  LYS  85          1HD       LYS  85  -5.662  -8.840 -12.000
  630    HD3  LYS  85          2HD       LYS  85  -5.003  -7.798 -10.719
  631    HE2  LYS  85          1HE       LYS  85  -4.812  -9.762  -9.215
  632    HE3  LYS  85          2HE       LYS  85  -5.453 -10.808 -10.490
  633    HZ1  LYS  85          1HZ       LYS  85  -2.919  -9.252 -10.667
  634    HZ2  LYS  85          2HZ       LYS  85  -3.508 -10.232 -11.846
  635    HZ3  LYS  85          3HZ       LYS  85  -3.022 -10.869 -10.425
  636    HA   PRO  86           HA       PRO  86 -10.096  -6.342  -6.306
  637    HB2  PRO  86          1HB       PRO  86 -10.380  -8.682  -4.855
  638    HB3  PRO  86          2HB       PRO  86 -11.662  -7.909  -5.836
  639    HG2  PRO  86          1HG       PRO  86  -9.822 -10.182  -6.603
  640    HG3  PRO  86          2HG       PRO  86 -11.590 -10.042  -6.870
  641    HD2  PRO  86          1HD       PRO  86  -9.803  -9.496  -8.830
  642    HD3  PRO  86          2HD       PRO  86 -11.271  -8.474  -8.656
  643    H    ILE  87           H        ILE  87  -8.692  -5.510  -4.976
  644    HA   ILE  87           HA       ILE  87  -6.098  -6.864  -4.457
  645    HB   ILE  87           HB       ILE  87  -5.245  -4.668  -3.745
  646   HG12  ILE  87          1HG1      ILE  87  -7.677  -3.398  -5.041
  647   HG13  ILE  87          2HG1      ILE  87  -7.570  -3.643  -3.292
  648   HG21  ILE  87          1HG2      ILE  87  -4.819  -5.555  -5.974
  649   HG22  ILE  87          2HG2      ILE  87  -6.305  -4.813  -6.602
  650   HG23  ILE  87          3HG2      ILE  87  -4.960  -3.800  -6.044
  651   HD11  ILE  87          1HD1      ILE  87  -5.658  -1.965  -4.976
  652   HD12  ILE  87          2HD1      ILE  87  -6.900  -1.374  -3.866
  653   HD13  ILE  87          3HD1      ILE  87  -5.508  -2.264  -3.227
  654    H    ARG  88           H        ARG  88  -5.145  -6.696  -2.383
  655    HA   ARG  88           HA       ARG  88  -7.007  -6.348  -0.065
  656    HB2  ARG  88          1HB       ARG  88  -4.926  -8.549  -0.408
  657    HB3  ARG  88          2HB       ARG  88  -5.844  -8.238   1.064
  658    HG2  ARG  88          1HG       ARG  88  -7.049  -9.078  -1.613
  659    HG3  ARG  88          2HG       ARG  88  -6.732 -10.144  -0.246
  660    HD2  ARG  88          1HD       ARG  88  -8.319  -8.923   1.156
  661    HD3  ARG  88          2HD       ARG  88  -8.623  -7.750  -0.118
  662    HE   ARG  88           HE       ARG  88  -9.533 -10.567  -0.018
  663   HH11  ARG  88          1HH1      ARG  88  -9.466  -7.621  -1.954
  664   HH12  ARG  88          2HH1      ARG  88 -10.863  -8.122  -2.873
  665   HH21  ARG  88          1HH2      ARG  88 -11.201 -11.168  -1.330
  666   HH22  ARG  88          2HH2      ARG  88 -11.760 -10.109  -2.587
  667    H    VAL  89           H        VAL  89  -6.254  -5.188   1.586
  668    HA   VAL  89           HA       VAL  89  -3.437  -4.204   1.431
  669    HB   VAL  89           HB       VAL  89  -5.871  -2.456   1.902
  670   HG11  VAL  89          1HG1      VAL  89  -4.305  -0.579   1.699
  671   HG12  VAL  89          2HG1      VAL  89  -3.831  -1.615   3.041
  672   HG13  VAL  89          3HG1      VAL  89  -2.941  -1.702   1.510
  673   HG21  VAL  89          1HG2      VAL  89  -5.771  -3.097  -0.463
  674   HG22  VAL  89          2HG2      VAL  89  -5.201  -1.436  -0.298
  675   HG23  VAL  89          3HG2      VAL  89  -4.031  -2.752  -0.505
  676    H    ASN  90           H        ASN  90  -2.360  -3.855   3.278
  677    HA   ASN  90           HA       ASN  90  -3.583  -3.725   5.918
  678    HB2  ASN  90          1HB       ASN  90  -3.570  -6.233   5.261
  679    HB3  ASN  90          2HB       ASN  90  -1.819  -6.115   5.274
  680   HD21  ASN  90          1HD2      ASN  90  -2.586  -7.455   8.555
  681   HD22  ASN  90          2HD2      ASN  90  -2.389  -7.968   6.886
  682    H    LYS  91           H        LYS  91  -1.647  -3.828   7.602
  683    HA   LYS  91           HA       LYS  91   0.406  -1.884   7.020
  684    HB2  LYS  91          1HB       LYS  91   0.438  -4.119   9.078
  685    HB3  LYS  91          2HB       LYS  91   1.379  -2.634   9.154
  686    HG2  LYS  91          1HG       LYS  91  -1.656  -2.808   9.370
  687    HG3  LYS  91          2HG       LYS  91  -0.570  -2.838  10.734
  688    HD2  LYS  91          1HD       LYS  91  -0.225  -0.491   8.885
  689    HD3  LYS  91          2HD       LYS  91  -1.770  -0.609   9.713
  690    HE2  LYS  91          1HE       LYS  91  -0.448   0.757  11.077
  691    HE3  LYS  91          2HE       LYS  91  -0.649  -0.785  11.909
  692    HZ1  LYS  91          1HZ       LYS  91   1.637  -1.358  11.202
  693    HZ2  LYS  91          2HZ       LYS  91   1.595   0.049  12.055
  694    HZ3  LYS  91          3HZ       LYS  91   1.769   0.106  10.432
  695    H    ALA  92           H        ALA  92   2.596  -2.144   6.452
  696    HA   ALA  92           HA       ALA  92   3.445  -4.705   5.283
  697    HB1  ALA  92          1HB       ALA  92   5.433  -3.487   4.649
  698    HB2  ALA  92          2HB       ALA  92   4.016  -2.482   4.302
  699    HB3  ALA  92          3HB       ALA  92   5.017  -2.149   5.738
  700    H    SER  93           H        SER  93   3.620  -3.236   8.444
  701    HA   SER  93           HA       SER  93   5.700  -5.080   9.446
  702    HB2  SER  93          1HB       SER  93   5.219  -3.970  11.608
  703    HB3  SER  93          2HB       SER  93   5.687  -2.838  10.329
  704    HG   SER  93           HG       SER  93   3.891  -2.189  11.623
  705    H    ALA  94           H        ALA  94   2.305  -4.402  10.222
  706    HA   ALA  94           HA       ALA  94   0.562  -5.593  10.956
  707    HB1  ALA  94          1HB       ALA  94   1.759  -7.845   9.329
  708    HB2  ALA  94          2HB       ALA  94   0.065  -7.694   9.855
  709    HB3  ALA  94          3HB       ALA  94   0.738  -6.516   8.720
  710    H    HIS  95           H        HIS  95   2.467  -5.336  12.881
  711    HA   HIS  95           HA       HIS  95   1.850  -7.707  14.610
  712    HB2  HIS  95          1HB       HIS  95   4.268  -5.875  14.663
  713    HB3  HIS  95          2HB       HIS  95   3.775  -6.859  16.039
  714    HD2  HIS  95          2HD       HIS  95   5.389  -7.177  12.584
  715    HE1  HIS  95          1HE       HIS  95   5.430 -11.084  14.295
  716    HE2  HIS  95          2HE       HIS  95   6.261  -9.654  12.357
  717    H    ASN  96           H        ASN  96   1.006  -7.319  16.635
  718    HA   ASN  96           HA       ASN  96  -0.566  -4.856  16.843
  719    HB2  ASN  96          1HB       ASN  96  -0.471  -7.370  18.570
  720    HB3  ASN  96          2HB       ASN  96  -1.631  -6.057  18.760
  721   HD21  ASN  96          1HD2      ASN  96  -3.176  -5.648  16.955
  722   HD22  ASN  96          2HD2      ASN  96  -3.572  -6.996  15.903
  723    H    LYS  97           H        LYS  97  -0.663  -3.479  18.646
  724    HA   LYS  97           HA       LYS  97   1.901  -2.910  19.974
  725    HB2  LYS  97          1HB       LYS  97  -0.753  -1.426  20.083
  726    HB3  LYS  97          2HB       LYS  97   0.793  -0.857  20.726
  727    HG2  LYS  97          1HG       LYS  97   1.755  -0.904  18.421
  728    HG3  LYS  97          2HG       LYS  97   0.162  -1.369  17.787
  729    HD2  LYS  97          1HD       LYS  97  -0.802   0.710  18.825
  730    HD3  LYS  97          2HD       LYS  97   0.829   1.214  19.274
  731    HE2  LYS  97          1HE       LYS  97  -0.164   0.696  16.428
  732    HE3  LYS  97          2HE       LYS  97  -0.037   2.282  17.189
  733    HZ1  LYS  97          1HZ       LYS  97   2.231   0.485  16.546
  734    HZ2  LYS  97          2HZ       LYS  97   2.381   1.880  17.404
  735    HZ3  LYS  97          3HZ       LYS  97   1.876   1.924  15.852
  736    H    ASN  98           H        ASN  98   1.170  -5.302  20.851
  737    HA   ASN  98           HA       ASN  98  -0.567  -5.267  23.177
  738    HB2  ASN  98          1HB       ASN  98  -0.296  -7.142  21.475
  739    HB3  ASN  98          2HB       ASN  98   1.279  -7.480  22.195
  740   HD21  ASN  98          1HD2      ASN  98   0.281  -9.658  22.541
  741   HD22  ASN  98          2HD2      ASN  98  -0.737  -9.870  23.959
  742    H    LEU  99           H        LEU  99   0.042  -6.064  25.301
  743    HA   LEU  99           HA       LEU  99   2.831  -5.692  26.201
  744    HB2  LEU  99          1HB       LEU  99   1.785  -3.463  26.418
  745    HB3  LEU  99          2HB       LEU  99   0.440  -4.165  27.314
  746    HG   LEU  99           HG       LEU  99   1.991  -4.786  29.160
  747   HD11  LEU  99          1HD1      LEU  99   4.130  -4.972  27.931
  748   HD12  LEU  99          2HD1      LEU  99   4.255  -3.782  29.229
  749   HD13  LEU  99          3HD1      LEU  99   4.067  -3.239  27.547
  750   HD21  LEU  99          1HD2      LEU  99   2.109  -1.852  28.358
  751   HD22  LEU  99          2HD2      LEU  99   2.340  -2.511  29.996
  752   HD23  LEU  99          3HD2      LEU  99   0.764  -2.651  29.204
  753    H    SER 100           H        SER 100   3.379  -7.175  27.728
  754    HA   SER 100           HA       SER 100   1.672  -9.376  28.241
  755    HB2  SER 100          1HB       SER 100   4.241  -8.625  29.685
  756    HB3  SER 100          2HB       SER 100   3.526 -10.242  29.569
  757    HG   SER 100           HG       SER 100   3.906 -10.213  27.334
  758    H    GLY 101           H        GLY 101   2.249  -6.515  30.219
  759    HA2  GLY 101          1HA       GLY 101   0.009  -6.570  31.774
  760    HA3  GLY 101          2HA       GLY 101   1.112  -7.611  32.680
  761    HA   PRO 102           HA       PRO 102   1.808  -3.144  33.907
  762    HB2  PRO 102          1HB       PRO 102   1.406  -4.347  36.637
  763    HB3  PRO 102          2HB       PRO 102   0.840  -2.772  36.003
  764    HG2  PRO 102          1HG       PRO 102  -0.890  -4.836  36.258
  765    HG3  PRO 102          2HG       PRO 102  -0.925  -3.826  34.773
  766    HD2  PRO 102          1HD       PRO 102   0.444  -6.508  35.183
  767    HD3  PRO 102          2HD       PRO 102  -0.644  -5.988  33.860
  768    H    SER 103           H        SER 103   3.195  -6.201  34.891
  769    HA   SER 103           HA       SER 103   5.169  -6.895  35.730
  770    HB2  SER 103          1HB       SER 103   6.253  -4.540  34.164
  771    HB3  SER 103          2HB       SER 103   7.190  -5.934  34.734
  772    HG   SER 103           HG       SER 103   6.489  -6.183  32.558
  773    H    SER 104           H        SER 104   3.736  -5.092  37.531
  774    HA   SER 104           HA       SER 104   5.788  -3.611  39.015
  775    HB2  SER 104          1HB       SER 104   3.848  -2.950  40.421
  776    HB3  SER 104          2HB       SER 104   3.643  -2.585  38.699
  777    HG   SER 104           HG       SER 104   1.773  -3.574  39.669
  778    H    GLY 105           H        GLY 105   4.607  -6.813  39.132
  779    HA2  GLY 105          1HA       GLY 105   4.797  -7.372  41.972
  780    HA3  GLY 105          2HA       GLY 105   4.732  -8.553  40.666
  Start of MODEL    5
    1    H1   GLY   1          1H        GLY   1  -5.277 -19.037   9.864
    2    H2   GLY   1          2H        GLY   1  -3.642 -18.963   9.964
    3    H3   GLY   1          3H        GLY   1  -4.383 -18.781   8.515
    4    HA2  GLY   1          1HA       GLY   1  -5.404 -16.721   9.213
    5    HA3  GLY   1          2HA       GLY   1  -4.628 -16.922  10.795
    6    H    SER   2           H        SER   2  -4.364 -14.756   8.769
    7    HA   SER   2           HA       SER   2  -1.440 -14.537   8.823
    8    HB2  SER   2          1HB       SER   2  -1.267 -13.973   6.419
    9    HB3  SER   2          2HB       SER   2  -1.723 -15.658   6.695
   10    HG   SER   2           HG       SER   2  -2.993 -14.674   5.053
   11    H    SER   3           H        SER   3  -0.671 -12.425   8.279
   12    HA   SER   3           HA       SER   3  -0.608 -10.184   8.572
   13    HB2  SER   3          1HB       SER   3  -2.884 -10.373   6.588
   14    HB3  SER   3          2HB       SER   3  -1.793  -8.988   6.827
   15    HG   SER   3           HG       SER   3  -1.127 -10.362   5.094
   16    H    GLY   4           H        GLY   4  -1.740 -10.881  10.877
   17    HA2  GLY   4          1HA       GLY   4  -4.093  -9.238  11.496
   18    HA3  GLY   4          2HA       GLY   4  -3.000 -10.025  12.641
   19    H    SER   5           H        SER   5  -4.060  -7.087  11.936
   20    HA   SER   5           HA       SER   5  -1.543  -5.579  11.819
   21    HB2  SER   5          1HB       SER   5  -3.059  -3.623  11.710
   22    HB3  SER   5          2HB       SER   5  -3.393  -4.841  10.468
   23    HG   SER   5           HG       SER   5  -5.315  -4.092  11.508
   24    H    SER   6           H        SER   6  -3.297  -6.935  14.359
   25    HA   SER   6           HA       SER   6  -3.332  -4.974  16.361
   26    HB2  SER   6          1HB       SER   6  -2.878  -7.962  16.703
   27    HB3  SER   6          2HB       SER   6  -3.464  -6.835  17.942
   28    HG   SER   6           HG       SER   6  -5.188  -7.956  16.917
   29    H    GLY   7           H        GLY   7  -1.947  -4.270  17.933
   30    HA2  GLY   7          1HA       GLY   7   0.044  -3.769  18.993
   31    HA3  GLY   7          2HA       GLY   7   0.695  -5.318  18.462
   32    HA   PRO   8           HA       PRO   8   1.651  -2.356  14.733
   33    HB2  PRO   8          1HB       PRO   8   1.045   0.310  14.915
   34    HB3  PRO   8          2HB       PRO   8  -0.103  -0.922  14.305
   35    HG2  PRO   8          1HG       PRO   8   0.095   0.212  17.118
   36    HG3  PRO   8          2HG       PRO   8  -1.368   0.059  16.091
   37    HD2  PRO   8          1HD       PRO   8  -0.774  -1.798  17.971
   38    HD3  PRO   8          2HD       PRO   8  -1.436  -2.290  16.382
   39    H    ILE   9           H        ILE   9   3.480  -1.026  14.341
   40    HA   ILE   9           HA       ILE   9   5.276  -0.836  16.716
   41    HB   ILE   9           HB       ILE   9   5.751  -1.225  13.757
   42   HG12  ILE   9          1HG1      ILE   9   6.610  -2.827  16.202
   43   HG13  ILE   9          2HG1      ILE   9   5.150  -3.161  15.267
   44   HG21  ILE   9          1HG2      ILE   9   8.190  -1.194  14.199
   45   HG22  ILE   9          2HG2      ILE   9   7.466   0.375  14.463
   46   HG23  ILE   9          3HG2      ILE   9   7.886  -0.659  15.863
   47   HD11  ILE   9          1HD1      ILE   9   8.010  -3.418  14.281
   48   HD12  ILE   9          2HD1      ILE   9   6.821  -4.699  14.540
   49   HD13  ILE   9          3HD1      ILE   9   6.578  -3.530  13.226
   50    H    SER  10           H        SER  10   5.976   1.029  17.512
   51    HA   SER  10           HA       SER  10   5.461   3.578  16.080
   52    HB2  SER  10          1HB       SER  10   5.961   4.589  18.281
   53    HB3  SER  10          2HB       SER  10   4.635   3.415  18.339
   54    HG   SER  10           HG       SER  10   6.140   3.130  20.065
   55    H    GLU  11           H        GLU  11   8.066   1.433  16.496
   56    HA   GLU  11           HA       GLU  11  10.151   3.485  16.730
   57    HB2  GLU  11          1HB       GLU  11  10.028   1.367  18.054
   58    HB3  GLU  11          2HB       GLU  11  10.365   0.457  16.579
   59    HG2  GLU  11          1HG       GLU  11  12.574   1.507  16.399
   60    HG3  GLU  11          2HG       GLU  11  12.199   2.602  17.735
   61    H    ARG  12           H        ARG  12   8.752   1.759  14.064
   62    HA   ARG  12           HA       ARG  12  11.008   2.506  12.259
   63    HB2  ARG  12          1HB       ARG  12  11.320   0.202  13.146
   64    HB3  ARG  12          2HB       ARG  12   9.767  -0.272  12.450
   65    HG2  ARG  12          1HG       ARG  12  10.620   0.071  10.187
   66    HG3  ARG  12          2HG       ARG  12  12.091   0.827  10.811
   67    HD2  ARG  12          1HD       ARG  12  12.557  -1.436  10.080
   68    HD3  ARG  12          2HD       ARG  12  12.808  -1.294  11.811
   69    HE   ARG  12           HE       ARG  12  10.617  -2.773  10.407
   70   HH11  ARG  12          1HH1      ARG  12  12.124  -2.102  13.518
   71   HH12  ARG  12          2HH1      ARG  12  11.303  -3.439  14.271
   72   HH21  ARG  12          1HH2      ARG  12   9.665  -4.387  11.390
   73   HH22  ARG  12          2HH2      ARG  12   9.943  -4.733  13.088
   74    H    ASN  13           H        ASN  13  10.530   2.948  10.191
   75    HA   ASN  13           HA       ASN  13   7.922   3.866   9.531
   76    HB2  ASN  13          1HB       ASN  13   8.879   4.555   7.468
   77    HB3  ASN  13          2HB       ASN  13  10.100   4.818   8.703
   78   HD21  ASN  13          1HD2      ASN  13  10.128   4.248   5.655
   79   HD22  ASN  13          2HD2      ASN  13  11.331   2.959   5.531
   80    H    GLN  14           H        GLN  14   9.035   0.651   9.334
   81    HA   GLN  14           HA       GLN  14   7.551  -0.404   7.155
   82    HB2  GLN  14          1HB       GLN  14   9.233  -1.603   8.538
   83    HB3  GLN  14          2HB       GLN  14   8.113  -1.589   9.911
   84    HG2  GLN  14          1HG       GLN  14   6.511  -2.966   8.607
   85    HG3  GLN  14          2HG       GLN  14   7.608  -2.954   7.225
   86   HE21  GLN  14          1HE2      GLN  14   6.910  -5.411   7.970
   87   HE22  GLN  14          2HE2      GLN  14   8.199  -6.178   8.900
   88    H    ASP  15           H        ASP  15   6.448   0.746  10.354
   89    HA   ASP  15           HA       ASP  15   3.723  -0.263   9.991
   90    HB2  ASP  15          1HB       ASP  15   5.077   0.203  12.165
   91    HB3  ASP  15          2HB       ASP  15   4.590   1.880  11.938
   92    H    ALA  16           H        ALA  16   5.447   2.689   9.186
   93    HA   ALA  16           HA       ALA  16   3.050   4.200   8.419
   94    HB1  ALA  16          1HB       ALA  16   5.994   4.749   7.832
   95    HB2  ALA  16          2HB       ALA  16   4.633   5.882   7.720
   96    HB3  ALA  16          3HB       ALA  16   5.138   5.280   9.304
   97    H    THR  17           H        THR  17   4.645   1.567   7.088
   98    HA   THR  17           HA       THR  17   3.980   2.297   4.281
   99    HB   THR  17           HB       THR  17   5.665  -0.026   5.249
  100    HG1  THR  17          1HG       THR  17   6.649   1.963   5.688
  101   HG21  THR  17          1HG2      THR  17   4.746  -0.372   2.971
  102   HG22  THR  17          2HG2      THR  17   6.485  -0.050   2.899
  103   HG23  THR  17          3HG2      THR  17   5.341   1.231   2.479
  104    H    VAL  18           H        VAL  18   2.373   1.319   3.217
  105    HA   VAL  18           HA       VAL  18   0.911  -0.929   4.542
  106    HB   VAL  18           HB       VAL  18  -0.990  -0.474   3.169
  107   HG11  VAL  18          1HG1      VAL  18   0.001   2.128   4.399
  108   HG12  VAL  18          2HG1      VAL  18  -1.682   1.651   4.119
  109   HG13  VAL  18          3HG1      VAL  18  -0.704   0.773   5.308
  110   HG21  VAL  18          1HG2      VAL  18   0.074   0.430   1.116
  111   HG22  VAL  18          2HG2      VAL  18  -1.194   1.492   1.736
  112   HG23  VAL  18          3HG2      VAL  18   0.504   1.900   2.025
  113    H    TYR  19           H        TYR  19   0.414  -2.742   3.422
  114    HA   TYR  19           HA       TYR  19   2.062  -3.465   1.040
  115    HB2  TYR  19          1HB       TYR  19   2.361  -4.989   2.870
  116    HB3  TYR  19          2HB       TYR  19   0.640  -5.022   3.223
  117    HD1  TYR  19          1HD       TYR  19   3.218  -6.148   0.772
  118    HD2  TYR  19          2HD       TYR  19  -0.864  -6.511   2.113
  119    HE1  TYR  19          1HE       TYR  19   2.925  -8.181  -0.648
  120    HE2  TYR  19          2HE       TYR  19  -1.158  -8.527   0.684
  121    HH   TYR  19           HH       TYR  19  -0.150 -10.008  -0.754
  122    H    VAL  20           H        VAL  20   1.069  -4.000  -0.840
  123    HA   VAL  20           HA       VAL  20  -1.909  -4.150  -0.993
  124    HB   VAL  20           HB       VAL  20  -0.168  -2.737  -3.052
  125   HG11  VAL  20          1HG1      VAL  20  -3.194  -2.960  -2.708
  126   HG12  VAL  20          2HG1      VAL  20  -2.355  -2.053  -3.979
  127   HG13  VAL  20          3HG1      VAL  20  -2.239  -3.822  -3.916
  128   HG21  VAL  20          1HG2      VAL  20  -1.252  -0.648  -2.336
  129   HG22  VAL  20          2HG2      VAL  20  -2.011  -1.499  -0.970
  130   HG23  VAL  20          3HG2      VAL  20  -0.246  -1.317  -1.053
  131    H    GLY  21           H        GLY  21  -2.229  -6.258  -1.455
  132    HA2  GLY  21          1HA       GLY  21  -0.445  -7.681  -3.396
  133    HA3  GLY  21          2HA       GLY  21  -1.485  -8.442  -2.202
  134    H    GLY  22           H        GLY  22  -1.264  -8.614  -5.229
  135    HA2  GLY  22          1HA       GLY  22  -2.938  -9.675  -6.545
  136    HA3  GLY  22          2HA       GLY  22  -4.211  -8.861  -5.635
  137    H    LEU  23           H        LEU  23  -1.333  -7.478  -7.249
  138    HA   LEU  23           HA       LEU  23  -2.894  -5.270  -8.343
  139    HB2  LEU  23          1HB       LEU  23   0.043  -6.046  -8.593
  140    HB3  LEU  23          2HB       LEU  23  -0.654  -4.535  -9.168
  141    HG   LEU  23           HG       LEU  23  -0.437  -5.436  -6.263
  142   HD11  LEU  23          1HD1      LEU  23   0.932  -3.207  -7.814
  143   HD12  LEU  23          2HD1      LEU  23   1.673  -4.743  -7.317
  144   HD13  LEU  23          3HD1      LEU  23   1.140  -3.575  -6.091
  145   HD21  LEU  23          1HD2      LEU  23  -1.123  -2.985  -5.861
  146   HD22  LEU  23          2HD2      LEU  23  -2.395  -4.134  -6.304
  147   HD23  LEU  23          3HD2      LEU  23  -1.764  -3.009  -7.514
  148    H    ASP  24           H        ASP  24  -3.075  -4.714 -10.504
  149    HA   ASP  24           HA       ASP  24  -3.086  -6.972 -12.392
  150    HB2  ASP  24          1HB       ASP  24  -5.100  -5.578 -12.197
  151    HB3  ASP  24          2HB       ASP  24  -4.166  -4.130 -12.568
  152    H    GLU  25           H        GLU  25  -2.127  -6.729 -14.578
  153    HA   GLU  25           HA       GLU  25   0.585  -5.927 -14.515
  154    HB2  GLU  25          1HB       GLU  25   0.626  -6.475 -16.867
  155    HB3  GLU  25          2HB       GLU  25  -0.295  -7.677 -15.966
  156    HG2  GLU  25          1HG       GLU  25  -2.420  -6.619 -16.734
  157    HG3  GLU  25          2HG       GLU  25  -1.492  -5.419 -17.637
  158    H    LYS  26           H        LYS  26  -2.201  -3.925 -15.232
  159    HA   LYS  26           HA       LYS  26  -0.633  -1.792 -16.519
  160    HB2  LYS  26          1HB       LYS  26  -3.499  -1.925 -15.517
  161    HB3  LYS  26          2HB       LYS  26  -2.799  -0.545 -16.371
  162    HG2  LYS  26          1HG       LYS  26  -2.277  -1.974 -18.319
  163    HG3  LYS  26          2HG       LYS  26  -2.993  -3.370 -17.520
  164    HD2  LYS  26          1HD       LYS  26  -4.448  -0.814 -18.303
  165    HD3  LYS  26          2HD       LYS  26  -4.505  -2.340 -19.180
  166    HE2  LYS  26          1HE       LYS  26  -5.568  -1.835 -16.369
  167    HE3  LYS  26          2HE       LYS  26  -6.529  -1.989 -17.842
  168    HZ1  LYS  26          1HZ       LYS  26  -6.559  -4.088 -16.735
  169    HZ2  LYS  26          2HZ       LYS  26  -4.947  -4.120 -16.513
  170    HZ3  LYS  26          3HZ       LYS  26  -5.581  -4.301 -18.026
  171    H    VAL  27           H        VAL  27  -0.965  -2.708 -13.262
  172    HA   VAL  27           HA       VAL  27  -0.838  -0.038 -12.078
  173    HB   VAL  27           HB       VAL  27  -0.241  -2.759 -10.860
  174   HG11  VAL  27          1HG1      VAL  27  -0.630  -0.047  -9.530
  175   HG12  VAL  27          2HG1      VAL  27  -0.592  -1.601  -8.695
  176   HG13  VAL  27          3HG1      VAL  27   0.843  -1.031  -9.520
  177   HG21  VAL  27          1HG2      VAL  27  -2.600  -2.569 -11.555
  178   HG22  VAL  27          2HG2      VAL  27  -2.488  -2.486  -9.797
  179   HG23  VAL  27          3HG2      VAL  27  -2.741  -1.003 -10.733
  180    H    SER  28           H        SER  28   0.923   1.110 -11.391
  181    HA   SER  28           HA       SER  28   3.591  -0.147 -11.318
  182    HB2  SER  28          1HB       SER  28   3.304   0.853 -13.620
  183    HB3  SER  28          2HB       SER  28   3.166   2.445 -12.848
  184    HG   SER  28           HG       SER  28   5.335   1.853 -13.535
  185    H    GLU  29           H        GLU  29   5.214   1.412 -10.283
  186    HA   GLU  29           HA       GLU  29   4.235   2.146  -7.725
  187    HB2  GLU  29          1HB       GLU  29   6.816   2.615  -9.233
  188    HB3  GLU  29          2HB       GLU  29   6.574   3.440  -7.706
  189    HG2  GLU  29          1HG       GLU  29   6.750   1.555  -6.453
  190    HG3  GLU  29          2HG       GLU  29   5.903   0.563  -7.614
  191    HA   PRO  30           HA       PRO  30   4.186   6.791  -9.056
  192    HB2  PRO  30          1HB       PRO  30   3.525   6.483 -11.983
  193    HB3  PRO  30          2HB       PRO  30   4.435   7.789 -11.160
  194    HG2  PRO  30          1HG       PRO  30   5.767   5.885 -12.540
  195    HG3  PRO  30          2HG       PRO  30   6.366   6.380 -10.919
  196    HD2  PRO  30          1HD       PRO  30   4.634   3.992 -11.631
  197    HD3  PRO  30          2HD       PRO  30   6.123   4.044 -10.645
  198    H    LEU  31           H        LEU  31   2.094   4.278 -10.475
  199    HA   LEU  31           HA       LEU  31  -0.358   5.859 -10.370
  200    HB2  LEU  31          1HB       LEU  31  -0.155   3.803 -11.810
  201    HB3  LEU  31          2HB       LEU  31   0.009   2.833 -10.349
  202    HG   LEU  31           HG       LEU  31  -2.301   3.760  -9.601
  203   HD11  LEU  31          1HD1      LEU  31  -2.340   4.446 -12.564
  204   HD12  LEU  31          2HD1      LEU  31  -2.415   5.616 -11.220
  205   HD13  LEU  31          3HD1      LEU  31  -3.743   4.470 -11.466
  206   HD21  LEU  31          1HD2      LEU  31  -3.469   2.118 -11.044
  207   HD22  LEU  31          2HD2      LEU  31  -1.985   1.481 -10.329
  208   HD23  LEU  31          3HD2      LEU  31  -2.004   1.985 -12.042
  209    H    LEU  32           H        LEU  32   1.106   3.285  -8.320
  210    HA   LEU  32           HA       LEU  32  -0.850   3.345  -6.281
  211    HB2  LEU  32          1HB       LEU  32   2.146   2.823  -5.943
  212    HB3  LEU  32          2HB       LEU  32   0.879   2.445  -4.779
  213    HG   LEU  32           HG       LEU  32   1.364   1.137  -7.458
  214   HD11  LEU  32          1HD1      LEU  32   2.712   0.370  -5.512
  215   HD12  LEU  32          2HD1      LEU  32   1.579  -0.878  -6.069
  216   HD13  LEU  32          3HD1      LEU  32   1.207   0.062  -4.605
  217   HD21  LEU  32          1HD2      LEU  32  -1.001   0.863  -5.554
  218   HD22  LEU  32          2HD2      LEU  32  -0.595  -0.347  -6.782
  219   HD23  LEU  32          3HD2      LEU  32  -1.041   1.295  -7.284
  220    H    TRP  33           H        TRP  33   2.089   5.351  -6.582
  221    HA   TRP  33           HA       TRP  33   1.855   6.714  -4.119
  222    HB2  TRP  33          1HB       TRP  33   3.751   6.697  -5.825
  223    HB3  TRP  33          2HB       TRP  33   2.874   7.897  -6.740
  224    HD1  TRP  33           HD       TRP  33   2.062   9.837  -4.264
  225    HE1  TRP  33          1HE       TRP  33   3.898  11.186  -3.066
  226    HE3  TRP  33          3HE       TRP  33   6.090   7.097  -5.704
  227    HZ2  TRP  33          2HZ       TRP  33   6.783  11.107  -2.822
  228    HZ3  TRP  33          3HZ       TRP  33   8.406   7.749  -4.994
  229    HH2  TRP  33           HH       TRP  33   8.749   9.751  -3.558
  230    H    GLU  34           H        GLU  34   0.829   7.990  -7.307
  231    HA   GLU  34           HA       GLU  34  -0.605  10.207  -6.213
  232    HB2  GLU  34          1HB       GLU  34  -0.807   8.835  -8.931
  233    HB3  GLU  34          2HB       GLU  34  -1.596  10.368  -8.518
  234    HG2  GLU  34          1HG       GLU  34   0.680  11.253  -7.851
  235    HG3  GLU  34          2HG       GLU  34   1.401   9.823  -8.579
  236    H    LEU  35           H        LEU  35  -1.746   6.939  -6.891
  237    HA   LEU  35           HA       LEU  35  -4.559   7.532  -6.546
  238    HB2  LEU  35          1HB       LEU  35  -3.460   5.499  -7.705
  239    HB3  LEU  35          2HB       LEU  35  -3.184   4.863  -6.087
  240    HG   LEU  35           HG       LEU  35  -5.789   5.219  -5.824
  241   HD11  LEU  35          1HD1      LEU  35  -6.115   6.498  -7.904
  242   HD12  LEU  35          2HD1      LEU  35  -7.052   4.996  -7.899
  243   HD13  LEU  35          3HD1      LEU  35  -5.553   5.099  -8.846
  244   HD21  LEU  35          1HD2      LEU  35  -6.224   2.991  -6.746
  245   HD22  LEU  35          2HD2      LEU  35  -4.720   3.024  -5.827
  246   HD23  LEU  35          3HD2      LEU  35  -4.667   3.034  -7.610
  247    H    PHE  36           H        PHE  36  -1.956   6.606  -4.257
  248    HA   PHE  36           HA       PHE  36  -3.862   6.279  -2.039
  249    HB2  PHE  36          1HB       PHE  36  -0.936   5.750  -2.436
  250    HB3  PHE  36          2HB       PHE  36  -1.572   5.873  -0.846
  251    HD1  PHE  36          1HD       PHE  36  -2.466   4.072  -4.061
  252    HD2  PHE  36          2HD       PHE  36  -2.238   3.901   0.233
  253    HE1  PHE  36          1HE       PHE  36  -3.165   1.701  -4.121
  254    HE2  PHE  36          2HE       PHE  36  -3.025   1.553   0.177
  255    HZ   PHE  36           HZ       PHE  36  -3.497   0.448  -1.998
  256    H    LEU  37           H        LEU  37  -2.122   8.932  -3.309
  257    HA   LEU  37           HA       LEU  37  -1.840  10.606  -1.058
  258    HB2  LEU  37          1HB       LEU  37  -2.687  11.107  -3.930
  259    HB3  LEU  37          2HB       LEU  37  -2.525  12.432  -2.782
  260    HG   LEU  37           HG       LEU  37  -0.278  10.608  -3.678
  261   HD11  LEU  37          1HD1      LEU  37  -0.768  13.572  -4.138
  262   HD12  LEU  37          2HD1      LEU  37  -1.056  12.298  -5.339
  263   HD13  LEU  37          3HD1      LEU  37   0.591  12.606  -4.758
  264   HD21  LEU  37          1HD2      LEU  37   1.184  12.189  -2.434
  265   HD22  LEU  37          2HD2      LEU  37   0.120  11.253  -1.377
  266   HD23  LEU  37          3HD2      LEU  37  -0.275  12.946  -1.740
  267    H    GLN  38           H        GLN  38  -4.786   9.403  -2.376
  268    HA   GLN  38           HA       GLN  38  -6.683  11.281  -1.311
  269    HB2  GLN  38          1HB       GLN  38  -7.003   8.269  -1.703
  270    HB3  GLN  38          2HB       GLN  38  -8.306   9.455  -1.538
  271    HG2  GLN  38          1HG       GLN  38  -7.526  10.564  -3.646
  272    HG3  GLN  38          2HG       GLN  38  -6.270   9.317  -3.770
  273   HE21  GLN  38          1HE2      GLN  38  -6.864   7.173  -4.378
  274   HE22  GLN  38          2HE2      GLN  38  -8.480   6.807  -5.004
  275    H    ALA  39           H        ALA  39  -4.964   8.546   0.155
  276    HA   ALA  39           HA       ALA  39  -6.563   8.538   2.598
  277    HB1  ALA  39          1HB       ALA  39  -5.434   6.501   1.696
  278    HB2  ALA  39          2HB       ALA  39  -3.866   7.260   1.984
  279    HB3  ALA  39          3HB       ALA  39  -4.915   6.890   3.357
  280    H    GLY  40           H        GLY  40  -3.272   9.624   1.723
  281    HA2  GLY  40          1HA       GLY  40  -3.221  11.917   3.429
  282    HA3  GLY  40          2HA       GLY  40  -2.417  10.560   4.229
  283    HA   PRO  41           HA       PRO  41   0.578  12.803   1.386
  284    HB2  PRO  41          1HB       PRO  41   2.559  13.312   3.221
  285    HB3  PRO  41          2HB       PRO  41   1.143  14.374   2.957
  286    HG2  PRO  41          1HG       PRO  41   1.476  12.221   5.068
  287    HG3  PRO  41          2HG       PRO  41   0.945  13.916   5.299
  288    HD2  PRO  41          1HD       PRO  41  -0.810  11.850   5.099
  289    HD3  PRO  41          2HD       PRO  41  -1.194  13.421   4.334
  290    H    VAL  42           H        VAL  42   1.313  11.227   0.133
  291    HA   VAL  42           HA       VAL  42   2.732   8.857   1.168
  292    HB   VAL  42           HB       VAL  42   2.060   9.652  -1.681
  293   HG11  VAL  42          1HG1      VAL  42   2.632   7.266  -2.184
  294   HG12  VAL  42          2HG1      VAL  42   4.035   8.190  -1.672
  295   HG13  VAL  42          3HG1      VAL  42   3.244   7.083  -0.531
  296   HG21  VAL  42          1HG2      VAL  42   0.401   7.845  -1.569
  297   HG22  VAL  42          2HG2      VAL  42   0.816   7.546   0.134
  298   HG23  VAL  42          3HG2      VAL  42   0.044   9.072  -0.352
  299    H    VAL  43           H        VAL  43   4.805   8.578   1.180
  300    HA   VAL  43           HA       VAL  43   6.628  10.828   0.462
  301    HB   VAL  43           HB       VAL  43   7.126   8.533   2.395
  302   HG11  VAL  43          1HG1      VAL  43   8.303  11.341   2.212
  303   HG12  VAL  43          2HG1      VAL  43   8.669  10.146   3.471
  304   HG13  VAL  43          3HG1      VAL  43   9.137   9.819   1.795
  305   HG21  VAL  43          1HG2      VAL  43   6.481  10.051   4.223
  306   HG22  VAL  43          2HG2      VAL  43   5.888  11.241   3.036
  307   HG23  VAL  43          3HG2      VAL  43   5.115   9.645   3.190
  308    H    ASN  44           H        ASN  44   6.147   7.359   0.030
  309    HA   ASN  44           HA       ASN  44   8.119   7.129  -2.110
  310    HB2  ASN  44          1HB       ASN  44   9.634   7.059  -0.235
  311    HB3  ASN  44          2HB       ASN  44   8.577   6.020   0.685
  312   HD21  ASN  44          1HD2      ASN  44   9.649   4.152   0.994
  313   HD22  ASN  44          2HD2      ASN  44  10.442   3.244  -0.305
  314    H    THR  45           H        THR  45   8.122   4.911  -3.027
  315    HA   THR  45           HA       THR  45   5.894   3.091  -2.318
  316    HB   THR  45           HB       THR  45   5.489   2.774  -4.840
  317    HG1  THR  45          1HG       THR  45   7.239   4.161  -5.478
  318   HG21  THR  45          1HG2      THR  45   3.835   3.788  -3.303
  319   HG22  THR  45          2HG2      THR  45   3.753   4.368  -4.967
  320   HG23  THR  45          3HG2      THR  45   4.489   5.395  -3.702
  321    H    HIS  46           H        HIS  46   6.211   0.903  -3.058
  322    HA   HIS  46           HA       HIS  46   8.736   0.317  -4.497
  323    HB2  HIS  46          1HB       HIS  46   9.047   0.235  -1.890
  324    HB3  HIS  46          2HB       HIS  46   8.062  -1.206  -1.964
  325    HD2  HIS  46          2HD       HIS  46  11.580   0.007  -2.600
  326    HE1  HIS  46          1HE       HIS  46  11.510  -3.997  -4.074
  327    HE2  HIS  46          2HE       HIS  46  13.010  -2.021  -3.491
  328    H    MET  47           H        MET  47   8.362  -1.175  -6.062
  329    HA   MET  47           HA       MET  47   6.357  -3.343  -5.533
  330    HB2  MET  47          1HB       MET  47   6.578  -1.693  -8.060
  331    HB3  MET  47          2HB       MET  47   5.882  -3.314  -8.023
  332    HG2  MET  47          1HG       MET  47   4.185  -2.683  -6.479
  333    HG3  MET  47          2HG       MET  47   4.909  -1.102  -6.190
  334    HE1  MET  47          1HE       MET  47   4.399  -2.713  -9.847
  335    HE2  MET  47          2HE       MET  47   3.221  -3.438  -8.724
  336    HE3  MET  47          3HE       MET  47   2.672  -2.355 -10.028
  337    HA   PRO  48           HA       PRO  48  10.313  -5.420  -6.347
  338    HB2  PRO  48          1HB       PRO  48   8.487  -7.726  -5.622
  339    HB3  PRO  48          2HB       PRO  48  10.210  -7.475  -5.184
  340    HG2  PRO  48          1HG       PRO  48   8.312  -6.881  -3.375
  341    HG3  PRO  48          2HG       PRO  48   9.619  -5.695  -3.661
  342    HD2  PRO  48          1HD       PRO  48   6.811  -5.703  -4.822
  343    HD3  PRO  48          2HD       PRO  48   7.698  -4.347  -4.055
  344    H    LYS  49           H        LYS  49  11.099  -6.547  -8.122
  345    HA   LYS  49           HA       LYS  49   9.171  -6.911 -10.371
  346    HB2  LYS  49          1HB       LYS  49  12.125  -6.235 -10.506
  347    HB3  LYS  49          2HB       LYS  49  11.012  -6.347 -11.864
  348    HG2  LYS  49          1HG       LYS  49  10.987  -4.255  -9.658
  349    HG3  LYS  49          2HG       LYS  49  11.446  -4.035 -11.348
  350    HD2  LYS  49          1HD       LYS  49   9.063  -4.670 -11.988
  351    HD3  LYS  49          2HD       LYS  49   8.651  -4.600 -10.272
  352    HE2  LYS  49          1HE       LYS  49   9.653  -2.309 -12.021
  353    HE3  LYS  49          2HE       LYS  49   8.027  -2.528 -11.373
  354    HZ1  LYS  49          1HZ       LYS  49   9.152  -2.433  -9.105
  355    HZ2  LYS  49          2HZ       LYS  49   9.037  -1.016  -9.902
  356    HZ3  LYS  49          3HZ       LYS  49  10.466  -1.825  -9.863
  357    H    ASP  50           H        ASP  50   9.475  -8.425 -11.939
  358    HA   ASP  50           HA       ASP  50  10.257 -11.077 -11.031
  359    HB2  ASP  50          1HB       ASP  50   8.190 -10.703 -12.290
  360    HB3  ASP  50          2HB       ASP  50   9.093  -9.995 -13.627
  361    H    ARG  51           H        ARG  51  11.838 -12.414 -11.864
  362    HA   ARG  51           HA       ARG  51  14.203 -11.046 -12.934
  363    HB2  ARG  51          1HB       ARG  51  15.445 -12.950 -12.176
  364    HB3  ARG  51          2HB       ARG  51  14.329 -12.436 -10.915
  365    HG2  ARG  51          1HG       ARG  51  12.768 -14.289 -11.555
  366    HG3  ARG  51          2HG       ARG  51  13.923 -14.808 -12.797
  367    HD2  ARG  51          1HD       ARG  51  15.636 -15.199 -11.035
  368    HD3  ARG  51          2HD       ARG  51  14.487 -14.664  -9.809
  369    HE   ARG  51           HE       ARG  51  13.347 -16.678  -9.937
  370   HH11  ARG  51          1HH1      ARG  51  15.363 -18.327 -12.962
  371   HH12  ARG  51          2HH1      ARG  51  15.633 -16.645 -12.599
  372   HH21  ARG  51          1HH2      ARG  51  13.057 -18.810 -10.460
  373   HH22  ARG  51          2HH2      ARG  51  13.944 -19.514 -11.780
  374    H    VAL  52           H        VAL  52  11.793 -12.111 -14.727
  375    HA   VAL  52           HA       VAL  52  13.542 -13.302 -16.860
  376    HB   VAL  52           HB       VAL  52  10.718 -14.223 -16.185
  377   HG11  VAL  52          1HG1      VAL  52  11.267 -14.508 -18.563
  378   HG12  VAL  52          2HG1      VAL  52  12.796 -15.310 -18.132
  379   HG13  VAL  52          3HG1      VAL  52  11.235 -16.072 -17.753
  380   HG21  VAL  52          1HG2      VAL  52  11.801 -16.370 -15.499
  381   HG22  VAL  52          2HG2      VAL  52  13.388 -15.574 -15.603
  382   HG23  VAL  52          3HG2      VAL  52  12.172 -15.034 -14.417
  383    H    THR  53           H        THR  53  10.578 -11.512 -16.046
  384    HA   THR  53           HA       THR  53  10.382 -10.507 -18.850
  385    HB   THR  53           HB       THR  53   8.006 -10.144 -18.384
  386    HG1  THR  53          1HG       THR  53   8.556 -11.401 -15.897
  387   HG21  THR  53          1HG2      THR  53   8.768 -12.989 -17.596
  388   HG22  THR  53          2HG2      THR  53   8.697 -12.375 -19.264
  389   HG23  THR  53          3HG2      THR  53   7.225 -12.436 -18.277
  390    H    GLY  54           H        GLY  54  10.982  -9.573 -15.599
  391    HA2  GLY  54          1HA       GLY  54  11.452  -7.581 -14.639
  392    HA3  GLY  54          2HA       GLY  54  11.385  -6.827 -16.238
  393    H    GLN  55           H        GLN  55   8.474  -8.434 -15.538
  394    HA   GLN  55           HA       GLN  55   6.848  -6.064 -15.055
  395    HB2  GLN  55          1HB       GLN  55   6.270  -9.046 -14.764
  396    HB3  GLN  55          2HB       GLN  55   5.056  -7.766 -14.721
  397    HG2  GLN  55          1HG       GLN  55   5.552  -7.153 -17.056
  398    HG3  GLN  55          2HG       GLN  55   6.822  -8.369 -17.136
  399   HE21  GLN  55          1HE2      GLN  55   6.159 -10.683 -16.747
  400   HE22  GLN  55          2HE2      GLN  55   4.544 -11.157 -17.297
  401    H    HIS  56           H        HIS  56   5.305  -6.113 -13.006
  402    HA   HIS  56           HA       HIS  56   6.953  -6.390 -10.582
  403    HB2  HIS  56          1HB       HIS  56   5.097  -5.499  -9.375
  404    HB3  HIS  56          2HB       HIS  56   5.428  -4.515 -10.793
  405    HD2  HIS  56          2HD       HIS  56   3.347  -3.920 -12.247
  406    HE1  HIS  56          1HE       HIS  56   0.609  -6.843 -10.795
  407    HE2  HIS  56          2HE       HIS  56   0.851  -4.785 -12.254
  408    H    GLN  57           H        GLN  57   6.370  -7.686  -8.745
  409    HA   GLN  57           HA       GLN  57   5.788 -10.428  -9.514
  410    HB2  GLN  57          1HB       GLN  57   6.488  -9.158  -6.847
  411    HB3  GLN  57          2HB       GLN  57   6.294 -10.899  -7.108
  412    HG2  GLN  57          1HG       GLN  57   8.123 -10.878  -8.775
  413    HG3  GLN  57          2HG       GLN  57   8.368  -9.162  -8.481
  414   HE21  GLN  57          1HE2      GLN  57  10.649  -9.914  -7.909
  415   HE22  GLN  57          2HE2      GLN  57  10.890 -10.508  -6.269
  416    H    GLY  58           H        GLY  58   3.460  -8.293  -9.333
  417    HA2  GLY  58          1HA       GLY  58   1.171  -8.643  -9.123
  418    HA3  GLY  58          2HA       GLY  58   1.448 -10.134  -8.228
  419    H    TYR  59           H        TYR  59   3.322  -7.760  -6.757
  420    HA   TYR  59           HA       TYR  59   1.190  -6.599  -5.099
  421    HB2  TYR  59          1HB       TYR  59   2.093  -7.329  -3.015
  422    HB3  TYR  59          2HB       TYR  59   1.746  -8.737  -3.993
  423    HD1  TYR  59          1HD       TYR  59   3.634 -10.031  -5.061
  424    HD2  TYR  59          2HD       TYR  59   4.325  -6.836  -2.238
  425    HE1  TYR  59          1HE       TYR  59   5.962 -10.835  -4.720
  426    HE2  TYR  59          2HE       TYR  59   6.636  -7.690  -1.859
  427    HH   TYR  59           HH       TYR  59   7.975 -10.440  -3.714
  428    H    GLY  60           H        GLY  60   1.920  -4.922  -3.679
  429    HA2  GLY  60          1HA       GLY  60   4.530  -3.624  -4.214
  430    HA3  GLY  60          2HA       GLY  60   3.054  -2.773  -4.680
  431    H    PHE  61           H        PHE  61   4.456  -1.399  -3.099
  432    HA   PHE  61           HA       PHE  61   3.068  -1.397  -0.487
  433    HB2  PHE  61          1HB       PHE  61   6.050  -0.973  -0.920
  434    HB3  PHE  61          2HB       PHE  61   5.207  -0.786   0.599
  435    HD1  PHE  61          1HD       PHE  61   4.426  -2.731   1.890
  436    HD2  PHE  61          2HD       PHE  61   6.627  -3.193  -1.785
  437    HE1  PHE  61          1HE       PHE  61   4.969  -5.081   2.510
  438    HE2  PHE  61          2HE       PHE  61   7.163  -5.536  -1.173
  439    HZ   PHE  61           HZ       PHE  61   6.328  -6.488   0.973
  440    H    VAL  62           H        VAL  62   2.830   0.628   0.469
  441    HA   VAL  62           HA       VAL  62   3.797   3.042  -1.006
  442    HB   VAL  62           HB       VAL  62   0.977   2.800   0.108
  443   HG11  VAL  62          1HG1      VAL  62   2.318   4.953  -1.562
  444   HG12  VAL  62          2HG1      VAL  62   0.629   4.931  -1.017
  445   HG13  VAL  62          3HG1      VAL  62   1.907   5.080   0.170
  446   HG21  VAL  62          1HG2      VAL  62   1.042   1.415  -1.871
  447   HG22  VAL  62          2HG2      VAL  62   0.247   2.937  -2.277
  448   HG23  VAL  62          3HG2      VAL  62   1.934   2.662  -2.765
  449    H    GLU  63           H        GLU  63   4.769   4.475   0.311
  450    HA   GLU  63           HA       GLU  63   4.632   4.012   3.258
  451    HB2  GLU  63          1HB       GLU  63   6.801   3.729   2.081
  452    HB3  GLU  63          2HB       GLU  63   6.715   5.447   1.618
  453    HG2  GLU  63          1HG       GLU  63   6.767   6.148   3.932
  454    HG3  GLU  63          2HG       GLU  63   6.656   4.481   4.498
  455    H    PHE  64           H        PHE  64   3.568   5.402   4.451
  456    HA   PHE  64           HA       PHE  64   2.890   8.109   3.439
  457    HB2  PHE  64          1HB       PHE  64   1.795   6.375   5.683
  458    HB3  PHE  64          2HB       PHE  64   1.355   8.060   5.451
  459    HD1  PHE  64          1HD       PHE  64   0.982   4.651   4.082
  460    HD2  PHE  64          2HD       PHE  64   0.134   8.835   3.491
  461    HE1  PHE  64          1HE       PHE  64  -0.722   4.066   2.367
  462    HE2  PHE  64          2HE       PHE  64  -1.553   8.244   1.758
  463    HZ   PHE  64           HZ       PHE  64  -2.007   5.881   1.230
  464    H    LEU  65           H        LEU  65   3.000   9.918   4.891
  465    HA   LEU  65           HA       LEU  65   5.484  10.236   6.228
  466    HB2  LEU  65          1HB       LEU  65   3.861  12.002   5.253
  467    HB3  LEU  65          2HB       LEU  65   2.958  11.824   6.766
  468    HG   LEU  65           HG       LEU  65   5.148  12.424   7.975
  469   HD11  LEU  65          1HD1      LEU  65   6.777  13.742   6.646
  470   HD12  LEU  65          2HD1      LEU  65   5.901  13.324   5.157
  471   HD13  LEU  65          3HD1      LEU  65   6.725  12.063   6.099
  472   HD21  LEU  65          1HD2      LEU  65   3.272  14.006   7.712
  473   HD22  LEU  65          2HD2      LEU  65   3.883  14.485   6.112
  474   HD23  LEU  65          3HD2      LEU  65   4.826  14.844   7.579
  475    H    SER  66           H        SER  66   2.349   9.177   7.486
  476    HA   SER  66           HA       SER  66   3.586   8.494  10.115
  477    HB2  SER  66          1HB       SER  66   0.917   9.914   9.940
  478    HB3  SER  66          2HB       SER  66   1.866   9.525  11.376
  479    HG   SER  66           HG       SER  66   2.033  11.739  10.783
  480    H    GLU  67           H        GLU  67   2.454   7.089  11.395
  481    HA   GLU  67           HA       GLU  67   1.602   4.761  10.015
  482    HB2  GLU  67          1HB       GLU  67   1.437   5.585  12.940
  483    HB3  GLU  67          2HB       GLU  67   1.192   3.964  12.323
  484    HG2  GLU  67          1HG       GLU  67   3.384   3.918  13.111
  485    HG3  GLU  67          2HG       GLU  67   3.511   4.002  11.355
  486    H    GLU  68           H        GLU  68  -0.313   7.313  11.557
  487    HA   GLU  68           HA       GLU  68  -2.832   5.869  11.439
  488    HB2  GLU  68          1HB       GLU  68  -3.844   7.971  12.086
  489    HB3  GLU  68          2HB       GLU  68  -2.448   7.599  13.097
  490    HG2  GLU  68          1HG       GLU  68  -1.071   9.208  11.755
  491    HG3  GLU  68          2HG       GLU  68  -2.497   9.604  10.794
  492    H    ASP  69           H        ASP  69  -1.051   7.846   9.138
  493    HA   ASP  69           HA       ASP  69  -3.289   8.155   7.265
  494    HB2  ASP  69          1HB       ASP  69  -0.286   8.526   6.991
  495    HB3  ASP  69          2HB       ASP  69  -1.424   8.818   5.692
  496    H    ALA  70           H        ALA  70  -0.658   5.803   7.822
  497    HA   ALA  70           HA       ALA  70  -1.277   4.165   5.518
  498    HB1  ALA  70          1HB       ALA  70   0.902   4.024   6.674
  499    HB2  ALA  70          2HB       ALA  70   0.123   3.545   8.190
  500    HB3  ALA  70          3HB       ALA  70   0.087   2.452   6.815
  501    H    ASP  71           H        ASP  71  -2.264   3.994   8.989
  502    HA   ASP  71           HA       ASP  71  -3.997   1.765   8.825
  503    HB2  ASP  71          1HB       ASP  71  -3.228   2.873  10.899
  504    HB3  ASP  71          2HB       ASP  71  -4.267   4.253  10.540
  505    H    TYR  72           H        TYR  72  -4.667   5.160   7.973
  506    HA   TYR  72           HA       TYR  72  -7.489   4.705   7.431
  507    HB2  TYR  72          1HB       TYR  72  -6.493   6.903   8.099
  508    HB3  TYR  72          2HB       TYR  72  -5.683   6.968   6.527
  509    HD1  TYR  72          1HD       TYR  72  -9.093   6.616   8.106
  510    HD2  TYR  72          2HD       TYR  72  -6.816   7.915   4.693
  511    HE1  TYR  72          1HE       TYR  72 -11.163   7.559   7.089
  512    HE2  TYR  72          2HE       TYR  72  -8.887   8.865   3.665
  513    HH   TYR  72           HH       TYR  72 -12.073   8.668   5.302
  514    H    ALA  73           H        ALA  73  -4.528   4.710   5.358
  515    HA   ALA  73           HA       ALA  73  -5.920   4.595   2.866
  516    HB1  ALA  73          1HB       ALA  73  -3.208   3.404   3.576
  517    HB2  ALA  73          2HB       ALA  73  -3.798   3.871   1.962
  518    HB3  ALA  73          3HB       ALA  73  -3.491   5.109   3.198
  519    H    ILE  74           H        ILE  74  -4.908   2.050   5.113
  520    HA   ILE  74           HA       ILE  74  -5.761  -0.235   3.624
  521    HB   ILE  74           HB       ILE  74  -5.578   0.251   6.628
  522   HG12  ILE  74          1HG1      ILE  74  -3.546  -1.172   4.862
  523   HG13  ILE  74          2HG1      ILE  74  -3.467   0.562   5.127
  524   HG21  ILE  74          1HG2      ILE  74  -5.340  -2.254   6.801
  525   HG22  ILE  74          2HG2      ILE  74  -6.929  -1.763   6.224
  526   HG23  ILE  74          3HG2      ILE  74  -5.717  -2.368   5.080
  527   HD11  ILE  74          1HD1      ILE  74  -3.342  -1.501   7.341
  528   HD12  ILE  74          2HD1      ILE  74  -1.987  -0.600   6.636
  529   HD13  ILE  74          3HD1      ILE  74  -3.244   0.264   7.524
  530    H    LYS  75           H        LYS  75  -7.568   1.943   5.798
  531    HA   LYS  75           HA       LYS  75 -10.024   0.447   5.813
  532    HB2  LYS  75          1HB       LYS  75  -9.461   2.078   7.519
  533    HB3  LYS  75          2HB       LYS  75  -9.428   3.390   6.341
  534    HG2  LYS  75          1HG       LYS  75 -11.796   3.223   5.938
  535    HG3  LYS  75          2HG       LYS  75 -11.901   1.756   6.935
  536    HD2  LYS  75          1HD       LYS  75 -11.237   3.089   8.938
  537    HD3  LYS  75          2HD       LYS  75 -11.049   4.519   7.919
  538    HE2  LYS  75          1HE       LYS  75 -13.148   4.727   9.034
  539    HE3  LYS  75          2HE       LYS  75 -13.473   4.412   7.327
  540    HZ1  LYS  75          1HZ       LYS  75 -13.590   2.372   9.493
  541    HZ2  LYS  75          2HZ       LYS  75 -13.931   2.086   7.917
  542    HZ3  LYS  75          3HZ       LYS  75 -14.886   3.073   8.796
  543    H    ILE  76           H        ILE  76  -8.825   2.921   3.529
  544    HA   ILE  76           HA       ILE  76 -11.436   2.878   2.135
  545    HB   ILE  76           HB       ILE  76 -10.674   4.847   0.981
  546   HG12  ILE  76          1HG1      ILE  76  -8.163   4.896   2.677
  547   HG13  ILE  76          2HG1      ILE  76  -8.174   4.188   1.072
  548   HG21  ILE  76          1HG2      ILE  76 -11.822   4.997   3.195
  549   HG22  ILE  76          2HG2      ILE  76 -10.236   5.113   3.990
  550   HG23  ILE  76          3HG2      ILE  76 -10.768   6.378   2.869
  551   HD11  ILE  76          1HD1      ILE  76  -9.075   6.351   0.178
  552   HD12  ILE  76          2HD1      ILE  76  -8.780   7.054   1.795
  553   HD13  ILE  76          3HD1      ILE  76  -7.435   6.408   0.828
  554    H    MET  77           H        MET  77  -8.311   1.516   1.528
  555    HA   MET  77           HA       MET  77  -8.930   1.151  -1.376
  556    HB2  MET  77          1HB       MET  77  -6.418   0.969   0.252
  557    HB3  MET  77          2HB       MET  77  -6.465   0.552  -1.450
  558    HG2  MET  77          1HG       MET  77  -7.538   3.244  -0.713
  559    HG3  MET  77          2HG       MET  77  -5.803   2.980  -0.635
  560    HE1  MET  77          1HE       MET  77  -6.718   5.266  -2.622
  561    HE2  MET  77          2HE       MET  77  -5.168   4.587  -2.073
  562    HE3  MET  77          3HE       MET  77  -5.485   4.747  -3.800
  563    H    ASP  78           H        ASP  78  -9.335  -0.775   1.347
  564    HA   ASP  78           HA       ASP  78  -8.172  -3.226   0.245
  565    HB2  ASP  78          1HB       ASP  78  -8.117  -2.745   2.647
  566    HB3  ASP  78          2HB       ASP  78  -9.883  -2.857   2.716
  567    H    MET  79           H        MET  79  -9.160  -5.085  -0.412
  568    HA   MET  79           HA       MET  79 -10.451  -6.335  -1.706
  569    HB2  MET  79          1HB       MET  79 -12.743  -5.222  -0.065
  570    HB3  MET  79          2HB       MET  79 -12.846  -6.625  -1.130
  571    HG2  MET  79          1HG       MET  79 -10.992  -6.395   1.257
  572    HG3  MET  79          2HG       MET  79 -12.531  -7.245   1.236
  573    HE1  MET  79          1HE       MET  79  -9.633  -9.951   1.526
  574    HE2  MET  79          2HE       MET  79  -9.508  -8.254   2.046
  575    HE3  MET  79          3HE       MET  79 -10.999  -9.174   2.361
  576    H    ILE  80           H        ILE  80 -10.196  -3.313  -2.442
  577    HA   ILE  80           HA       ILE  80 -12.380  -2.861  -4.311
  578    HB   ILE  80           HB       ILE  80 -10.020  -1.393  -3.205
  579   HG12  ILE  80          1HG1      ILE  80 -12.919  -0.555  -3.546
  580   HG13  ILE  80          2HG1      ILE  80 -12.413  -1.591  -2.223
  581   HG21  ILE  80          1HG2      ILE  80 -10.362   0.546  -4.604
  582   HG22  ILE  80          2HG2      ILE  80  -9.797  -0.824  -5.550
  583   HG23  ILE  80          3HG2      ILE  80 -11.521  -0.350  -5.622
  584   HD11  ILE  80          1HD1      ILE  80 -12.540   0.730  -1.497
  585   HD12  ILE  80          2HD1      ILE  80 -10.896   0.092  -1.369
  586   HD13  ILE  80          3HD1      ILE  80 -11.316   1.205  -2.689
  587    H    LYS  81           H        LYS  81 -12.214  -2.572  -6.557
  588    HA   LYS  81           HA       LYS  81 -10.342  -4.555  -7.734
  589    HB2  LYS  81          1HB       LYS  81 -13.028  -3.542  -8.709
  590    HB3  LYS  81          2HB       LYS  81 -12.016  -4.762  -9.501
  591    HG2  LYS  81          1HG       LYS  81 -12.148  -6.141  -7.368
  592    HG3  LYS  81          2HG       LYS  81 -13.323  -4.971  -6.757
  593    HD2  LYS  81          1HD       LYS  81 -14.656  -6.696  -7.604
  594    HD3  LYS  81          2HD       LYS  81 -14.698  -5.471  -8.881
  595    HE2  LYS  81          1HE       LYS  81 -12.800  -6.756 -10.018
  596    HE3  LYS  81          2HE       LYS  81 -12.985  -8.001  -8.781
  597    HZ1  LYS  81          1HZ       LYS  81 -15.277  -8.330  -9.536
  598    HZ2  LYS  81          2HZ       LYS  81 -14.248  -8.545 -10.785
  599    HZ3  LYS  81          3HZ       LYS  81 -15.120  -7.171 -10.677
  600    H    LEU  82           H        LEU  82  -8.654  -2.889  -7.639
  601    HA   LEU  82           HA       LEU  82  -8.579  -0.682  -9.451
  602    HB2  LEU  82          1HB       LEU  82  -6.960  -1.087  -7.582
  603    HB3  LEU  82          2HB       LEU  82  -6.304  -2.468  -8.457
  604    HG   LEU  82           HG       LEU  82  -5.430  -1.009 -10.211
  605   HD11  LEU  82          1HD1      LEU  82  -7.078   0.799 -10.286
  606   HD12  LEU  82          2HD1      LEU  82  -5.497   1.479  -9.918
  607   HD13  LEU  82          3HD1      LEU  82  -6.686   1.268  -8.616
  608   HD21  LEU  82          1HD2      LEU  82  -4.084  -1.403  -8.165
  609   HD22  LEU  82          2HD2      LEU  82  -4.792   0.043  -7.418
  610   HD23  LEU  82          3HD2      LEU  82  -3.761   0.197  -8.854
  611    H    TYR  83           H        TYR  83  -8.385  -0.625 -11.722
  612    HA   TYR  83           HA       TYR  83  -8.925  -1.530 -13.743
  613    HB2  TYR  83          1HB       TYR  83  -6.405  -3.119 -13.213
  614    HB3  TYR  83          2HB       TYR  83  -7.097  -2.774 -14.786
  615    HD1  TYR  83          1HD       TYR  83  -4.587  -1.789 -12.601
  616    HD2  TYR  83          2HD       TYR  83  -7.571  -0.146 -15.247
  617    HE1  TYR  83          1HE       TYR  83  -3.201   0.253 -12.904
  618    HE2  TYR  83          2HE       TYR  83  -6.196   1.909 -15.522
  619    HH   TYR  83           HH       TYR  83  -4.251   2.985 -14.976
  620    H    GLY  84           H        GLY  84 -10.358  -3.116 -11.630
  621    HA2  GLY  84          1HA       GLY  84 -11.984  -4.740 -11.892
  622    HA3  GLY  84          2HA       GLY  84 -11.283  -5.234 -13.424
  623    H    LYS  85           H        LYS  85  -9.173  -5.272 -10.621
  624    HA   LYS  85           HA       LYS  85  -9.413  -8.180 -10.204
  625    HB2  LYS  85          1HB       LYS  85  -7.560  -7.689 -11.778
  626    HB3  LYS  85          2HB       LYS  85  -6.844  -6.592 -10.589
  627    HG2  LYS  85          1HG       LYS  85  -6.603  -8.515  -9.000
  628    HG3  LYS  85          2HG       LYS  85  -7.294  -9.593 -10.228
  629    HD2  LYS  85          1HD       LYS  85  -5.431  -9.051 -11.768
  630    HD3  LYS  85          2HD       LYS  85  -4.763  -7.925 -10.568
  631    HE2  LYS  85          1HE       LYS  85  -4.498  -9.799  -8.960
  632    HE3  LYS  85          2HE       LYS  85  -5.143 -10.926 -10.162
  633    HZ1  LYS  85          1HZ       LYS  85  -2.659  -9.316 -10.501
  634    HZ2  LYS  85          2HZ       LYS  85  -3.248 -10.387 -11.593
  635    HZ3  LYS  85          3HZ       LYS  85  -2.704 -10.918 -10.151
  636    HA   PRO  86           HA       PRO  86  -9.905  -6.163  -6.266
  637    HB2  PRO  86          1HB       PRO  86 -10.311  -8.332  -4.615
  638    HB3  PRO  86          2HB       PRO  86 -11.511  -7.654  -5.755
  639    HG2  PRO  86          1HG       PRO  86  -9.684 -10.022  -6.170
  640    HG3  PRO  86          2HG       PRO  86 -11.423  -9.870  -6.571
  641    HD2  PRO  86          1HD       PRO  86  -9.451  -9.558  -8.428
  642    HD3  PRO  86          2HD       PRO  86 -10.935  -8.555  -8.503
  643    H    ILE  87           H        ILE  87  -8.227  -5.096  -5.453
  644    HA   ILE  87           HA       ILE  87  -5.761  -6.451  -4.627
  645    HB   ILE  87           HB       ILE  87  -4.968  -4.234  -3.947
  646   HG12  ILE  87          1HG1      ILE  87  -7.338  -2.971  -5.344
  647   HG13  ILE  87          2HG1      ILE  87  -7.357  -3.230  -3.596
  648   HG21  ILE  87          1HG2      ILE  87  -6.004  -4.438  -6.810
  649   HG22  ILE  87          2HG2      ILE  87  -4.664  -3.413  -6.262
  650   HG23  ILE  87          3HG2      ILE  87  -4.526  -5.174  -6.169
  651   HD11  ILE  87          1HD1      ILE  87  -6.672  -0.967  -4.116
  652   HD12  ILE  87          2HD1      ILE  87  -5.321  -1.844  -3.373
  653   HD13  ILE  87          3HD1      ILE  87  -5.338  -1.547  -5.130
  654    H    ARG  88           H        ARG  88  -5.021  -6.746  -2.618
  655    HA   ARG  88           HA       ARG  88  -6.894  -6.356  -0.296
  656    HB2  ARG  88          1HB       ARG  88  -4.860  -8.518  -0.925
  657    HB3  ARG  88          2HB       ARG  88  -5.328  -8.155   0.731
  658    HG2  ARG  88          1HG       ARG  88  -6.592 -10.033  -0.148
  659    HG3  ARG  88          2HG       ARG  88  -7.646  -8.692   0.309
  660    HD2  ARG  88          1HD       ARG  88  -8.123  -8.140  -1.958
  661    HD3  ARG  88          2HD       ARG  88  -6.739  -9.073  -2.546
  662    HE   ARG  88           HE       ARG  88  -8.978 -10.475  -1.151
  663   HH11  ARG  88          1HH1      ARG  88  -7.567  -9.852  -4.305
  664   HH12  ARG  88          2HH1      ARG  88  -8.033 -11.424  -4.903
  665   HH21  ARG  88          1HH2      ARG  88  -9.688 -12.362  -2.050
  666   HH22  ARG  88          2HH2      ARG  88  -9.311 -12.736  -3.705
  667    H    VAL  89           H        VAL  89  -6.274  -5.058   1.250
  668    HA   VAL  89           HA       VAL  89  -3.492  -3.944   1.179
  669    HB   VAL  89           HB       VAL  89  -6.004  -2.311   1.649
  670   HG11  VAL  89          1HG1      VAL  89  -3.095  -1.505   1.184
  671   HG12  VAL  89          2HG1      VAL  89  -4.471  -0.391   1.346
  672   HG13  VAL  89          3HG1      VAL  89  -3.972  -1.379   2.715
  673   HG21  VAL  89          1HG2      VAL  89  -4.236  -2.575  -0.812
  674   HG22  VAL  89          2HG2      VAL  89  -5.960  -2.990  -0.708
  675   HG23  VAL  89          3HG2      VAL  89  -5.450  -1.308  -0.582
  676    H    ASN  90           H        ASN  90  -2.456  -3.572   3.060
  677    HA   ASN  90           HA       ASN  90  -3.727  -3.583   5.689
  678    HB2  ASN  90          1HB       ASN  90  -3.564  -6.065   4.687
  679    HB3  ASN  90          2HB       ASN  90  -1.880  -5.908   5.133
  680   HD21  ASN  90          1HD2      ASN  90  -4.057  -7.677   6.109
  681   HD22  ASN  90          2HD2      ASN  90  -3.930  -7.499   7.852
  682    H    LYS  91           H        LYS  91  -1.792  -3.868   7.406
  683    HA   LYS  91           HA       LYS  91   0.208  -1.798   6.848
  684    HB2  LYS  91          1HB       LYS  91   0.071  -3.797   9.146
  685    HB3  LYS  91          2HB       LYS  91   1.031  -2.327   9.096
  686    HG2  LYS  91          1HG       LYS  91  -2.012  -2.324   9.011
  687    HG3  LYS  91          2HG       LYS  91  -1.107  -2.323  10.500
  688    HD2  LYS  91          1HD       LYS  91  -0.609  -0.157   8.418
  689    HD3  LYS  91          2HD       LYS  91  -1.941  -0.069   9.587
  690    HE2  LYS  91          1HE       LYS  91  -0.240  -0.459  11.429
  691    HE3  LYS  91          2HE       LYS  91   1.033  -0.341  10.205
  692    HZ1  LYS  91          1HZ       LYS  91   0.512   1.898   9.829
  693    HZ2  LYS  91          2HZ       LYS  91   0.666   1.687  11.422
  694    HZ3  LYS  91          3HZ       LYS  91  -0.852   1.880  10.787
  695    H    ALA  92           H        ALA  92   2.408  -2.070   6.317
  696    HA   ALA  92           HA       ALA  92   3.316  -4.711   5.445
  697    HB1  ALA  92          1HB       ALA  92   3.999  -2.623   4.316
  698    HB2  ALA  92          2HB       ALA  92   4.864  -2.121   5.784
  699    HB3  ALA  92          3HB       ALA  92   5.389  -3.564   4.898
  700    H    SER  93           H        SER  93   3.161  -3.161   8.511
  701    HA   SER  93           HA       SER  93   5.190  -4.827   9.828
  702    HB2  SER  93          1HB       SER  93   4.372  -3.653  11.861
  703    HB3  SER  93          2HB       SER  93   4.882  -2.539  10.580
  704    HG   SER  93           HG       SER  93   2.829  -2.007  11.582
  705    H    ALA  94           H        ALA  94   2.113  -5.571   8.687
  706    HA   ALA  94           HA       ALA  94   0.902  -6.796  10.952
  707    HB1  ALA  94          1HB       ALA  94  -0.600  -7.810   9.308
  708    HB2  ALA  94          2HB       ALA  94  -0.326  -6.109   8.927
  709    HB3  ALA  94          3HB       ALA  94   0.506  -7.373   7.989
  710    H    HIS  95           H        HIS  95   0.605  -8.983  11.511
  711    HA   HIS  95           HA       HIS  95   2.599 -10.996  10.616
  712    HB2  HIS  95          1HB       HIS  95   3.566 -11.229  12.827
  713    HB3  HIS  95          2HB       HIS  95   3.729  -9.555  12.319
  714    HD2  HIS  95          2HD       HIS  95   1.991  -7.771  13.409
  715    HE1  HIS  95          1HE       HIS  95   0.611 -10.229  16.604
  716    HE2  HIS  95          2HE       HIS  95   0.624  -7.857  15.670
  717    H    ASN  96           H        ASN  96   2.374 -13.040  12.063
  718    HA   ASN  96           HA       ASN  96  -0.256 -13.316  13.369
  719    HB2  ASN  96          1HB       ASN  96  -0.313 -14.178  10.914
  720    HB3  ASN  96          2HB       ASN  96   0.642 -15.536  11.504
  721   HD21  ASN  96          1HD2      ASN  96  -0.382 -16.657  13.514
  722   HD22  ASN  96          2HD2      ASN  96  -2.140 -16.824  13.473
  723    H    LYS  97           H        LYS  97   2.209 -12.799  14.501
  724    HA   LYS  97           HA       LYS  97   3.359 -15.352  15.507
  725    HB2  LYS  97          1HB       LYS  97   4.793 -13.537  14.573
  726    HB3  LYS  97          2HB       LYS  97   4.283 -12.474  15.893
  727    HG2  LYS  97          1HG       LYS  97   5.267 -14.047  17.543
  728    HG3  LYS  97          2HG       LYS  97   5.714 -15.154  16.230
  729    HD2  LYS  97          1HD       LYS  97   7.195 -13.409  15.267
  730    HD3  LYS  97          2HD       LYS  97   6.739 -12.299  16.581
  731    HE2  LYS  97          1HE       LYS  97   7.636 -13.909  18.248
  732    HE3  LYS  97          2HE       LYS  97   8.080 -15.019  16.945
  733    HZ1  LYS  97          1HZ       LYS  97   9.976 -13.674  17.645
  734    HZ2  LYS  97          2HZ       LYS  97   9.194 -12.285  17.304
  735    HZ3  LYS  97          3HZ       LYS  97   9.604 -13.312  16.099
  736    H    ASN  98           H        ASN  98   1.750 -12.451  16.763
  737    HA   ASN  98           HA       ASN  98   1.475 -13.755  19.450
  738    HB2  ASN  98          1HB       ASN  98   1.558 -10.809  18.688
  739    HB3  ASN  98          2HB       ASN  98   1.168 -11.414  20.293
  740   HD21  ASN  98          1HD2      ASN  98   3.205  -9.648  20.110
  741   HD22  ASN  98          2HD2      ASN  98   4.728 -10.486  20.367
  742    H    LEU  99           H        LEU  99  -0.481 -13.899  20.410
  743    HA   LEU  99           HA       LEU  99  -2.894 -12.655  19.303
  744    HB2  LEU  99          1HB       LEU  99  -2.622 -14.666  17.879
  745    HB3  LEU  99          2HB       LEU  99  -2.532 -15.686  19.313
  746    HG   LEU  99           HG       LEU  99  -4.885 -15.111  19.879
  747   HD11  LEU  99          1HD1      LEU  99  -4.839 -13.582  17.237
  748   HD12  LEU  99          2HD1      LEU  99  -5.102 -12.886  18.853
  749   HD13  LEU  99          3HD1      LEU  99  -6.300 -13.985  18.167
  750   HD21  LEU  99          1HD2      LEU  99  -4.505 -16.097  17.023
  751   HD22  LEU  99          2HD2      LEU  99  -5.929 -16.371  18.052
  752   HD23  LEU  99          3HD2      LEU  99  -4.371 -17.085  18.496
  753    H    SER 100           H        SER 100  -1.674 -15.146  21.594
  754    HA   SER 100           HA       SER 100  -3.772 -14.880  23.504
  755    HB2  SER 100          1HB       SER 100  -0.937 -15.901  23.907
  756    HB3  SER 100          2HB       SER 100  -2.334 -16.221  24.952
  757    HG   SER 100           HG       SER 100  -1.953 -17.937  23.473
  758    H    GLY 101           H        GLY 101  -3.614 -14.167  25.732
  759    HA2  GLY 101          1HA       GLY 101  -1.564 -12.266  26.563
  760    HA3  GLY 101          2HA       GLY 101  -3.125 -11.515  26.226
  761    HA   PRO 102           HA       PRO 102  -2.863 -13.302  30.605
  762    HB2  PRO 102          1HB       PRO 102  -2.707 -11.035  32.114
  763    HB3  PRO 102          2HB       PRO 102  -1.280 -11.773  31.324
  764    HG2  PRO 102          1HG       PRO 102  -2.996  -9.483  30.296
  765    HG3  PRO 102          2HG       PRO 102  -1.208  -9.543  30.444
  766    HD2  PRO 102          1HD       PRO 102  -2.475 -10.100  28.097
  767    HD3  PRO 102          2HD       PRO 102  -1.010 -10.999  28.597
  768    H    SER 103           H        SER 103  -4.389 -13.211  32.322
  769    HA   SER 103           HA       SER 103  -6.428 -13.277  33.236
  770    HB2  SER 103          1HB       SER 103  -6.047 -10.803  33.286
  771    HB3  SER 103          2HB       SER 103  -7.091 -10.669  31.858
  772    HG   SER 103           HG       SER 103  -8.172 -10.398  33.924
  773    H    SER 104           H        SER 104  -8.805 -13.283  32.921
  774    HA   SER 104           HA       SER 104  -9.669 -14.317  30.252
  775    HB2  SER 104          1HB       SER 104 -10.908 -16.103  31.400
  776    HB3  SER 104          2HB       SER 104  -9.164 -16.217  31.679
  777    HG   SER 104           HG       SER 104 -10.378 -16.500  33.617
  778    H    GLY 105           H        GLY 105 -10.210 -11.936  32.463
  779    HA2  GLY 105          1HA       GLY 105 -13.088 -11.838  32.713
  780    HA3  GLY 105          2HA       GLY 105 -11.957 -10.518  33.005
  Start of MODEL    6
    1    H1   GLY   1          1H        GLY   1  -9.600  -9.030  17.222
    2    H2   GLY   1          2H        GLY   1  -8.883  -8.804  18.675
    3    H3   GLY   1          3H        GLY   1  -9.455 -10.285  18.267
    4    HA2  GLY   1          1HA       GLY   1  -7.059 -10.257  18.079
    5    HA3  GLY   1          2HA       GLY   1  -7.836 -10.503  16.504
    6    H    SER   2           H        SER   2  -5.409  -9.713  16.201
    7    HA   SER   2           HA       SER   2  -5.500  -6.830  15.449
    8    HB2  SER   2          1HB       SER   2  -4.311  -6.998  17.606
    9    HB3  SER   2          2HB       SER   2  -3.204  -8.184  16.900
   10    HG   SER   2           HG       SER   2  -2.238  -6.191  16.792
   11    H    SER   3           H        SER   3  -4.349  -6.290  13.683
   12    HA   SER   3           HA       SER   3  -2.658  -8.309  12.258
   13    HB2  SER   3          1HB       SER   3  -4.560  -6.349  10.912
   14    HB3  SER   3          2HB       SER   3  -3.449  -7.465  10.100
   15    HG   SER   3           HG       SER   3  -4.629  -9.207  11.025
   16    H    GLY   4           H        GLY   4  -1.660  -6.653  14.148
   17    HA2  GLY   4          1HA       GLY   4  -0.004  -5.046  14.501
   18    HA3  GLY   4          2HA       GLY   4   0.088  -4.730  12.758
   19    H    SER   5           H        SER   5  -2.826  -4.701  14.786
   20    HA   SER   5           HA       SER   5  -3.303  -1.816  14.153
   21    HB2  SER   5          1HB       SER   5  -5.722  -2.493  14.132
   22    HB3  SER   5          2HB       SER   5  -4.732  -3.124  12.806
   23    HG   SER   5           HG       SER   5  -6.188  -4.657  13.886
   24    H    SER   6           H        SER   6  -3.734  -4.352  16.655
   25    HA   SER   6           HA       SER   6  -4.581  -2.412  18.683
   26    HB2  SER   6          1HB       SER   6  -3.537  -5.245  19.000
   27    HB3  SER   6          2HB       SER   6  -4.300  -4.270  20.264
   28    HG   SER   6           HG       SER   6  -6.214  -4.240  19.030
   29    H    GLY   7           H        GLY   7  -1.571  -3.050  17.260
   30    HA2  GLY   7          1HA       GLY   7  -0.235  -1.057  18.658
   31    HA3  GLY   7          2HA       GLY   7   0.265  -2.561  19.428
   32    HA   PRO   8           HA       PRO   8   2.518  -1.649  15.355
   33    HB2  PRO   8          1HB       PRO   8   4.684  -0.181  16.038
   34    HB3  PRO   8          2HB       PRO   8   3.044   0.534  16.054
   35    HG2  PRO   8          1HG       PRO   8   4.581  -0.644  18.404
   36    HG3  PRO   8          2HG       PRO   8   3.815   0.975  18.293
   37    HD2  PRO   8          1HD       PRO   8   2.543  -1.184  19.415
   38    HD3  PRO   8          2HD       PRO   8   1.663   0.081  18.505
   39    H    ILE   9           H        ILE   9   4.763  -2.134  14.543
   40    HA   ILE   9           HA       ILE   9   5.971  -4.487  15.896
   41    HB   ILE   9           HB       ILE   9   5.448  -4.648  13.486
   42   HG12  ILE   9          1HG1      ILE   9   7.474  -5.638  12.674
   43   HG13  ILE   9          2HG1      ILE   9   8.462  -4.797  13.854
   44   HG21  ILE   9          1HG2      ILE   9   7.540  -2.446  13.147
   45   HG22  ILE   9          2HG2      ILE   9   6.980  -3.488  11.842
   46   HG23  ILE   9          3HG2      ILE   9   5.839  -2.425  12.655
   47   HD11  ILE   9          1HD1      ILE   9   8.084  -7.199  14.383
   48   HD12  ILE   9          2HD1      ILE   9   7.505  -6.137  15.674
   49   HD13  ILE   9          3HD1      ILE   9   6.348  -6.872  14.545
   50    H    SER  10           H        SER  10   8.248  -4.569  16.407
   51    HA   SER  10           HA       SER  10   9.416  -2.148  17.429
   52    HB2  SER  10          1HB       SER  10  10.730  -4.850  16.976
   53    HB3  SER  10          2HB       SER  10  11.272  -3.566  18.072
   54    HG   SER  10           HG       SER  10  10.106  -5.156  19.204
   55    H    GLU  11           H        GLU  11   9.357  -3.236  14.238
   56    HA   GLU  11           HA       GLU  11  12.065  -2.522  13.444
   57    HB2  GLU  11          1HB       GLU  11  10.748  -4.382  12.433
   58    HB3  GLU  11          2HB       GLU  11   9.625  -3.207  11.760
   59    HG2  GLU  11          1HG       GLU  11  11.164  -3.893  10.041
   60    HG3  GLU  11          2HG       GLU  11  11.505  -2.215  10.424
   61    H    ARG  12           H        ARG  12  12.064  -0.401  14.310
   62    HA   ARG  12           HA       ARG  12  12.010   1.869  14.254
   63    HB2  ARG  12          1HB       ARG  12  13.563   1.175  12.465
   64    HB3  ARG  12          2HB       ARG  12  12.291   1.394  11.267
   65    HG2  ARG  12          1HG       ARG  12  12.142   3.807  11.887
   66    HG3  ARG  12          2HG       ARG  12  13.409   3.581  13.097
   67    HD2  ARG  12          1HD       ARG  12  13.717   3.100  10.102
   68    HD3  ARG  12          2HD       ARG  12  14.192   4.584  10.943
   69    HE   ARG  12           HE       ARG  12  15.503   2.505  12.292
   70   HH11  ARG  12          1HH1      ARG  12  15.629   3.846   9.057
   71   HH12  ARG  12          2HH1      ARG  12  17.289   3.368   8.825
   72   HH21  ARG  12          1HH2      ARG  12  17.615   1.917  11.926
   73   HH22  ARG  12          2HH2      ARG  12  18.378   2.310  10.414
   74    H    ASN  13           H        ASN  13  10.371   1.964  11.171
   75    HA   ASN  13           HA       ASN  13   7.838   2.901  12.403
   76    HB2  ASN  13          1HB       ASN  13   9.540   4.506  10.445
   77    HB3  ASN  13          2HB       ASN  13   7.843   4.849  10.764
   78   HD21  ASN  13          1HD2      ASN  13   7.170   5.564  12.890
   79   HD22  ASN  13          2HD2      ASN  13   8.377   6.301  13.949
   80    H    GLN  14           H        GLN  14   8.642   0.383  10.940
   81    HA   GLN  14           HA       GLN  14   7.713   0.521   8.268
   82    HB2  GLN  14          1HB       GLN  14   9.092  -1.319   9.537
   83    HB3  GLN  14          2HB       GLN  14   7.513  -2.015   9.912
   84    HG2  GLN  14          1HG       GLN  14   8.457  -3.070   7.941
   85    HG3  GLN  14          2HG       GLN  14   7.028  -2.158   7.462
   86   HE21  GLN  14          1HE2      GLN  14  10.645  -1.998   7.557
   87   HE22  GLN  14          2HE2      GLN  14  10.753  -0.942   6.155
   88    H    ASP  15           H        ASP  15   5.808   0.505  11.153
   89    HA   ASP  15           HA       ASP  15   3.262  -0.350  10.226
   90    HB2  ASP  15          1HB       ASP  15   4.286   1.658  12.249
   91    HB3  ASP  15          2HB       ASP  15   2.581   1.682  11.819
   92    H    ALA  16           H        ALA  16   5.097   2.580   9.383
   93    HA   ALA  16           HA       ALA  16   2.783   3.944   8.236
   94    HB1  ALA  16          1HB       ALA  16   4.369   5.673   7.678
   95    HB2  ALA  16          2HB       ALA  16   4.663   5.141   9.341
   96    HB3  ALA  16          3HB       ALA  16   5.742   4.602   8.031
   97    H    THR  17           H        THR  17   4.538   1.303   7.108
   98    HA   THR  17           HA       THR  17   4.035   2.023   4.253
   99    HB   THR  17           HB       THR  17   5.629  -0.342   5.245
  100    HG1  THR  17          1HG       THR  17   7.368   0.821   5.130
  101   HG21  THR  17          1HG2      THR  17   5.554   1.080   2.530
  102   HG22  THR  17          2HG2      THR  17   4.830  -0.504   2.880
  103   HG23  THR  17          3HG2      THR  17   6.585  -0.295   2.948
  104    H    VAL  18           H        VAL  18   2.457   1.043   3.153
  105    HA   VAL  18           HA       VAL  18   0.965  -1.210   4.437
  106    HB   VAL  18           HB       VAL  18  -0.962  -0.670   3.149
  107   HG11  VAL  18          1HG1      VAL  18  -1.583   1.453   4.145
  108   HG12  VAL  18          2HG1      VAL  18  -0.572   0.557   5.296
  109   HG13  VAL  18          3HG1      VAL  18   0.112   1.906   4.365
  110   HG21  VAL  18          1HG2      VAL  18   0.545   1.685   1.992
  111   HG22  VAL  18          2HG2      VAL  18   0.065   0.236   1.074
  112   HG23  VAL  18          3HG2      VAL  18  -1.169   1.310   1.739
  113    H    TYR  19           H        TYR  19   0.403  -2.972   3.243
  114    HA   TYR  19           HA       TYR  19   1.994  -3.629   0.803
  115    HB2  TYR  19          1HB       TYR  19   2.318  -5.244   2.532
  116    HB3  TYR  19          2HB       TYR  19   0.617  -5.247   2.967
  117    HD1  TYR  19          1HD       TYR  19  -1.022  -6.571   1.780
  118    HD2  TYR  19          2HD       TYR  19   3.082  -6.442   0.453
  119    HE1  TYR  19          1HE       TYR  19  -1.425  -8.554   0.325
  120    HE2  TYR  19          2HE       TYR  19   2.685  -8.447  -0.965
  121    HH   TYR  19           HH       TYR  19   1.177 -10.025  -1.653
  122    H    VAL  20           H        VAL  20   0.955  -4.133  -1.066
  123    HA   VAL  20           HA       VAL  20  -2.022  -4.273  -1.145
  124    HB   VAL  20           HB       VAL  20  -0.356  -2.863  -3.265
  125   HG11  VAL  20          1HG1      VAL  20  -2.447  -3.950  -4.057
  126   HG12  VAL  20          2HG1      VAL  20  -3.365  -3.111  -2.804
  127   HG13  VAL  20          3HG1      VAL  20  -2.589  -2.182  -4.101
  128   HG21  VAL  20          1HG2      VAL  20  -2.121  -1.610  -1.123
  129   HG22  VAL  20          2HG2      VAL  20  -0.359  -1.432  -1.272
  130   HG23  VAL  20          3HG2      VAL  20  -1.409  -0.770  -2.521
  131    H    GLY  21           H        GLY  21  -2.434  -6.328  -1.704
  132    HA2  GLY  21          1HA       GLY  21  -0.670  -7.766  -3.658
  133    HA3  GLY  21          2HA       GLY  21  -1.710  -8.526  -2.462
  134    H    GLY  22           H        GLY  22  -1.543  -8.731  -5.462
  135    HA2  GLY  22          1HA       GLY  22  -3.256  -9.705  -6.785
  136    HA3  GLY  22          2HA       GLY  22  -4.495  -8.855  -5.859
  137    H    LEU  23           H        LEU  23  -1.584  -7.518  -7.447
  138    HA   LEU  23           HA       LEU  23  -3.101  -5.273  -8.527
  139    HB2  LEU  23          1HB       LEU  23  -0.175  -6.091  -8.773
  140    HB3  LEU  23          2HB       LEU  23  -0.845  -4.557  -9.319
  141    HG   LEU  23           HG       LEU  23  -0.681  -5.522  -6.428
  142   HD11  LEU  23          1HD1      LEU  23   0.773  -3.298  -7.907
  143   HD12  LEU  23          2HD1      LEU  23   1.463  -4.869  -7.453
  144   HD13  LEU  23          3HD1      LEU  23   0.952  -3.727  -6.194
  145   HD21  LEU  23          1HD2      LEU  23  -2.607  -4.154  -6.497
  146   HD22  LEU  23          2HD2      LEU  23  -1.890  -3.013  -7.644
  147   HD23  LEU  23          3HD2      LEU  23  -1.305  -3.075  -5.975
  148    H    ASP  24           H        ASP  24  -3.261  -4.693 -10.688
  149    HA   ASP  24           HA       ASP  24  -3.305  -6.937 -12.591
  150    HB2  ASP  24          1HB       ASP  24  -5.294  -5.505 -12.388
  151    HB3  ASP  24          2HB       ASP  24  -4.332  -4.075 -12.759
  152    H    GLU  25           H        GLU  25  -2.350  -6.688 -14.783
  153    HA   GLU  25           HA       GLU  25   0.380  -5.930 -14.715
  154    HB2  GLU  25          1HB       GLU  25   0.413  -6.465 -17.066
  155    HB3  GLU  25          2HB       GLU  25  -0.525  -7.660 -16.174
  156    HG2  GLU  25          1HG       GLU  25  -2.635  -6.569 -16.940
  157    HG3  GLU  25          2HG       GLU  25  -1.689  -5.378 -17.835
  158    H    LYS  26           H        LYS  26  -2.385  -3.890 -15.415
  159    HA   LYS  26           HA       LYS  26  -0.794  -1.766 -16.685
  160    HB2  LYS  26          1HB       LYS  26  -3.658  -1.867 -15.671
  161    HB3  LYS  26          2HB       LYS  26  -2.942  -0.491 -16.517
  162    HG2  LYS  26          1HG       LYS  26  -2.450  -1.914 -18.478
  163    HG3  LYS  26          2HG       LYS  26  -3.187  -3.304 -17.687
  164    HD2  LYS  26          1HD       LYS  26  -4.598  -0.717 -18.447
  165    HD3  LYS  26          2HD       LYS  26  -4.689  -2.236 -19.332
  166    HE2  LYS  26          1HE       LYS  26  -5.727  -1.728 -16.512
  167    HE3  LYS  26          2HE       LYS  26  -6.699  -1.851 -17.981
  168    HZ1  LYS  26          1HZ       LYS  26  -5.150  -4.025 -16.682
  169    HZ2  LYS  26          2HZ       LYS  26  -5.805  -4.180 -18.188
  170    HZ3  LYS  26          3HZ       LYS  26  -6.763  -3.957 -16.885
  171    H    VAL  27           H        VAL  27  -1.140  -2.702 -13.429
  172    HA   VAL  27           HA       VAL  27  -1.002  -0.051 -12.215
  173    HB   VAL  27           HB       VAL  27  -0.365  -2.790 -11.055
  174   HG11  VAL  27          1HG1      VAL  27  -0.631  -1.697  -8.866
  175   HG12  VAL  27          2HG1      VAL  27   0.755  -1.062  -9.726
  176   HG13  VAL  27          3HG1      VAL  27  -0.740  -0.115  -9.645
  177   HG21  VAL  27          1HG2      VAL  27  -2.584  -2.537  -9.934
  178   HG22  VAL  27          2HG2      VAL  27  -2.859  -1.036 -10.830
  179   HG23  VAL  27          3HG2      VAL  27  -2.740  -2.583 -11.691
  180    H    SER  28           H        SER  28   0.731   1.146 -11.654
  181    HA   SER  28           HA       SER  28   3.478  -0.019 -11.763
  182    HB2  SER  28          1HB       SER  28   2.685   2.664 -12.968
  183    HB3  SER  28          2HB       SER  28   4.336   2.041 -12.800
  184    HG   SER  28           HG       SER  28   2.241   0.911 -14.366
  185    H    GLU  29           H        GLU  29   5.077   1.306 -10.506
  186    HA   GLU  29           HA       GLU  29   4.129   1.925  -7.934
  187    HB2  GLU  29          1HB       GLU  29   6.694   2.460  -9.441
  188    HB3  GLU  29          2HB       GLU  29   6.472   3.254  -7.893
  189    HG2  GLU  29          1HG       GLU  29   6.665   1.351  -6.676
  190    HG3  GLU  29          2HG       GLU  29   5.787   0.385  -7.836
  191    HA   PRO  30           HA       PRO  30   4.049   6.655  -8.965
  192    HB2  PRO  30          1HB       PRO  30   3.278   6.465 -11.881
  193    HB3  PRO  30          2HB       PRO  30   4.157   7.774 -11.027
  194    HG2  PRO  30          1HG       PRO  30   5.538   5.997 -12.516
  195    HG3  PRO  30          2HG       PRO  30   6.148   6.431 -10.882
  196    HD2  PRO  30          1HD       PRO  30   4.515   4.010 -11.696
  197    HD3  PRO  30          2HD       PRO  30   6.004   4.081 -10.708
  198    H    LEU  31           H        LEU  31   1.900   4.209 -10.417
  199    HA   LEU  31           HA       LEU  31  -0.550   5.752 -10.060
  200    HB2  LEU  31          1HB       LEU  31  -0.369   3.801 -11.652
  201    HB3  LEU  31          2HB       LEU  31  -0.164   2.734 -10.263
  202    HG   LEU  31           HG       LEU  31  -2.442   3.520  -9.397
  203   HD11  LEU  31          1HD1      LEU  31  -3.947   4.451 -11.128
  204   HD12  LEU  31          2HD1      LEU  31  -2.556   4.614 -12.231
  205   HD13  LEU  31          3HD1      LEU  31  -2.637   5.573 -10.728
  206   HD21  LEU  31          1HD2      LEU  31  -2.152   1.361 -10.443
  207   HD22  LEU  31          2HD2      LEU  31  -2.201   2.094 -12.069
  208   HD23  LEU  31          3HD2      LEU  31  -3.650   2.083 -11.041
  209    H    LEU  32           H        LEU  32   1.089   3.107  -8.254
  210    HA   LEU  32           HA       LEU  32  -0.748   3.134  -6.060
  211    HB2  LEU  32          1HB       LEU  32   2.218   2.381  -6.002
  212    HB3  LEU  32          2HB       LEU  32   1.000   1.971  -4.798
  213    HG   LEU  32           HG       LEU  32   1.259   0.886  -7.595
  214   HD11  LEU  32          1HD1      LEU  32   1.137  -0.410  -4.838
  215   HD12  LEU  32          2HD1      LEU  32   2.627  -0.085  -5.759
  216   HD13  LEU  32          3HD1      LEU  32   1.427  -1.236  -6.388
  217   HD21  LEU  32          1HD2      LEU  32  -1.043   0.617  -5.612
  218   HD22  LEU  32          2HD2      LEU  32  -0.780  -0.512  -6.950
  219   HD23  LEU  32          3HD2      LEU  32  -1.120   1.195  -7.298
  220    H    TRP  33           H        TRP  33   1.922   5.257  -6.763
  221    HA   TRP  33           HA       TRP  33   1.906   6.541  -4.155
  222    HB2  TRP  33          1HB       TRP  33   3.744   6.542  -5.931
  223    HB3  TRP  33          2HB       TRP  33   2.824   7.751  -6.792
  224    HD1  TRP  33           HD       TRP  33   2.067   9.670  -4.326
  225    HE1  TRP  33          1HE       TRP  33   3.918  11.012  -3.141
  226    HE3  TRP  33          3HE       TRP  33   6.070   6.895  -5.768
  227    HZ2  TRP  33          2HZ       TRP  33   6.806  10.921  -2.919
  228    HZ3  TRP  33          3HZ       TRP  33   8.395   7.543  -5.087
  229    HH2  TRP  33           HH       TRP  33   8.759   9.555  -3.669
  230    H    GLU  34           H        GLU  34   0.797   7.821  -7.311
  231    HA   GLU  34           HA       GLU  34  -0.579  10.018  -6.147
  232    HB2  GLU  34          1HB       GLU  34  -0.874   8.744  -8.903
  233    HB3  GLU  34          2HB       GLU  34  -1.596  10.287  -8.420
  234    HG2  GLU  34          1HG       GLU  34   0.705  11.076  -7.764
  235    HG3  GLU  34          2HG       GLU  34   1.380   9.645  -8.531
  236    H    LEU  35           H        LEU  35  -1.858   6.812  -6.885
  237    HA   LEU  35           HA       LEU  35  -4.642   7.504  -6.519
  238    HB2  LEU  35          1HB       LEU  35  -3.559   5.362  -7.597
  239    HB3  LEU  35          2HB       LEU  35  -3.422   4.796  -5.931
  240    HG   LEU  35           HG       LEU  35  -5.963   5.236  -5.776
  241   HD11  LEU  35          1HD1      LEU  35  -5.669   5.156  -8.801
  242   HD12  LEU  35          2HD1      LEU  35  -6.218   6.553  -7.848
  243   HD13  LEU  35          3HD1      LEU  35  -7.195   5.080  -7.895
  244   HD21  LEU  35          1HD2      LEU  35  -6.474   3.040  -6.752
  245   HD22  LEU  35          2HD2      LEU  35  -4.984   3.003  -5.805
  246   HD23  LEU  35          3HD2      LEU  35  -4.898   3.042  -7.585
  247    H    PHE  36           H        PHE  36  -2.039   6.628  -4.264
  248    HA   PHE  36           HA       PHE  36  -3.896   6.232  -2.010
  249    HB2  PHE  36          1HB       PHE  36  -0.976   5.742  -2.512
  250    HB3  PHE  36          2HB       PHE  36  -1.568   5.781  -0.900
  251    HD1  PHE  36          1HD       PHE  36  -2.263   4.057  -4.179
  252    HD2  PHE  36          2HD       PHE  36  -2.453   3.842   0.110
  253    HE1  PHE  36          1HE       PHE  36  -3.021   1.700  -4.334
  254    HE2  PHE  36          2HE       PHE  36  -3.247   1.497  -0.039
  255    HZ   PHE  36           HZ       PHE  36  -3.557   0.430  -2.264
  256    H    LEU  37           H        LEU  37  -2.121   8.883  -3.299
  257    HA   LEU  37           HA       LEU  37  -1.708  10.503  -1.024
  258    HB2  LEU  37          1HB       LEU  37  -2.595  11.128  -3.863
  259    HB3  LEU  37          2HB       LEU  37  -2.268  12.392  -2.686
  260    HG   LEU  37           HG       LEU  37  -0.224  10.384  -3.676
  261   HD11  LEU  37          1HD1      LEU  37   0.781  12.303  -4.792
  262   HD12  LEU  37          2HD1      LEU  37  -0.474  13.380  -4.137
  263   HD13  LEU  37          3HD1      LEU  37  -0.903  12.134  -5.323
  264   HD21  LEU  37          1HD2      LEU  37   0.036  12.738  -1.764
  265   HD22  LEU  37          2HD2      LEU  37   1.404  11.844  -2.475
  266   HD23  LEU  37          3HD2      LEU  37   0.283  11.024  -1.382
  267    H    GLN  38           H        GLN  38  -4.703   9.429  -2.293
  268    HA   GLN  38           HA       GLN  38  -6.498  11.384  -1.167
  269    HB2  GLN  38          1HB       GLN  38  -7.006   8.421  -1.696
  270    HB3  GLN  38          2HB       GLN  38  -8.224   9.695  -1.517
  271    HG2  GLN  38          1HG       GLN  38  -7.281  10.824  -3.559
  272    HG3  GLN  38          2HG       GLN  38  -6.143   9.470  -3.707
  273   HE21  GLN  38          1HE2      GLN  38  -8.537   7.241  -5.114
  274   HE22  GLN  38          2HE2      GLN  38  -6.917   7.421  -4.420
  275    H    ALA  39           H        ALA  39  -4.879   8.528   0.197
  276    HA   ALA  39           HA       ALA  39  -6.462   8.512   2.652
  277    HB1  ALA  39          1HB       ALA  39  -5.355   6.478   1.670
  278    HB2  ALA  39          2HB       ALA  39  -3.788   7.205   2.019
  279    HB3  ALA  39          3HB       ALA  39  -4.881   6.807   3.355
  280    H    GLY  40           H        GLY  40  -3.158   9.539   1.751
  281    HA2  GLY  40          1HA       GLY  40  -3.040  11.835   3.435
  282    HA3  GLY  40          2HA       GLY  40  -2.260  10.472   4.247
  283    HA   PRO  41           HA       PRO  41   0.748  12.611   1.325
  284    HB2  PRO  41          1HB       PRO  41   2.765  13.103   3.129
  285    HB3  PRO  41          2HB       PRO  41   1.378  14.198   2.852
  286    HG2  PRO  41          1HG       PRO  41   1.667  12.084   5.008
  287    HG3  PRO  41          2HG       PRO  41   1.188  13.798   5.206
  288    HD2  PRO  41          1HD       PRO  41  -0.634  11.790   5.068
  289    HD3  PRO  41          2HD       PRO  41  -0.972  13.346   4.255
  290    H    VAL  42           H        VAL  42   1.488  11.044   0.084
  291    HA   VAL  42           HA       VAL  42   2.862   8.647   1.129
  292    HB   VAL  42           HB       VAL  42   2.166   9.429  -1.717
  293   HG11  VAL  42          1HG1      VAL  42   3.339   6.853  -0.576
  294   HG12  VAL  42          2HG1      VAL  42   2.701   7.035  -2.217
  295   HG13  VAL  42          3HG1      VAL  42   4.122   7.949  -1.736
  296   HG21  VAL  42          1HG2      VAL  42   0.163   8.876  -0.355
  297   HG22  VAL  42          2HG2      VAL  42   0.488   7.646  -1.576
  298   HG23  VAL  42          3HG2      VAL  42   0.923   7.343   0.120
  299    H    VAL  43           H        VAL  43   4.929   8.319   1.085
  300    HA   VAL  43           HA       VAL  43   6.785  10.544   0.375
  301    HB   VAL  43           HB       VAL  43   7.263   8.201   2.256
  302   HG11  VAL  43          1HG1      VAL  43   8.515  10.977   2.096
  303   HG12  VAL  43          2HG1      VAL  43   8.872   9.753   3.329
  304   HG13  VAL  43          3HG1      VAL  43   9.298   9.439   1.640
  305   HG21  VAL  43          1HG2      VAL  43   6.126  10.932   2.980
  306   HG22  VAL  43          2HG2      VAL  43   5.298   9.364   3.110
  307   HG23  VAL  43          3HG2      VAL  43   6.696   9.689   4.125
  308    H    ASN  44           H        ASN  44   6.222   7.087  -0.101
  309    HA   ASN  44           HA       ASN  44   8.121   6.863  -2.300
  310    HB2  ASN  44          1HB       ASN  44   9.698   6.741  -0.472
  311    HB3  ASN  44          2HB       ASN  44   8.669   5.675   0.448
  312   HD21  ASN  44          1HD2      ASN  44   9.709   3.761   0.629
  313   HD22  ASN  44          2HD2      ASN  44  10.451   2.912  -0.737
  314    H    THR  45           H        THR  45   8.076   4.652  -3.235
  315    HA   THR  45           HA       THR  45   5.850   2.851  -2.478
  316    HB   THR  45           HB       THR  45   5.414   2.549  -5.013
  317    HG1  THR  45          1HG       THR  45   7.120   3.967  -5.664
  318   HG21  THR  45          1HG2      THR  45   3.649   4.105  -5.069
  319   HG22  THR  45          2HG2      THR  45   4.380   5.119  -3.793
  320   HG23  THR  45          3HG2      THR  45   3.765   3.488  -3.425
  321    H    HIS  46           H        HIS  46   6.109   0.671  -3.264
  322    HA   HIS  46           HA       HIS  46   8.637   0.046  -4.692
  323    HB2  HIS  46          1HB       HIS  46   8.881  -0.079  -2.062
  324    HB3  HIS  46          2HB       HIS  46   7.878  -1.501  -2.198
  325    HD2  HIS  46          2HD       HIS  46  11.435  -0.363  -2.653
  326    HE1  HIS  46          1HE       HIS  46  11.328  -4.299  -4.296
  327    HE2  HIS  46          2HE       HIS  46  12.852  -2.392  -3.566
  328    H    MET  47           H        MET  47   8.259  -1.445  -6.271
  329    HA   MET  47           HA       MET  47   6.185  -3.553  -5.781
  330    HB2  MET  47          1HB       MET  47   6.476  -1.911  -8.304
  331    HB3  MET  47          2HB       MET  47   5.719  -3.504  -8.263
  332    HG2  MET  47          1HG       MET  47   4.047  -2.787  -6.704
  333    HG3  MET  47          2HG       MET  47   4.826  -1.224  -6.471
  334    HE1  MET  47          1HE       MET  47   4.176  -2.998 -10.041
  335    HE2  MET  47          2HE       MET  47   3.004  -3.585  -8.837
  336    HE3  MET  47          3HE       MET  47   2.463  -2.562 -10.194
  337    HA   PRO  48           HA       PRO  48  10.095  -5.713  -6.557
  338    HB2  PRO  48          1HB       PRO  48   8.219  -7.986  -5.858
  339    HB3  PRO  48          2HB       PRO  48   9.942  -7.764  -5.399
  340    HG2  PRO  48          1HG       PRO  48   8.030  -7.140  -3.617
  341    HG3  PRO  48          2HG       PRO  48   9.362  -5.975  -3.885
  342    HD2  PRO  48          1HD       PRO  48   6.570  -5.939  -5.081
  343    HD3  PRO  48          2HD       PRO  48   7.471  -4.598  -4.305
  344    H    LYS  49           H        LYS  49  10.903  -6.775  -8.330
  345    HA   LYS  49           HA       LYS  49   9.018  -7.255 -10.602
  346    HB2  LYS  49          1HB       LYS  49  11.920  -6.384 -10.763
  347    HB3  LYS  49          2HB       LYS  49  10.785  -6.542 -12.094
  348    HG2  LYS  49          1HG       LYS  49  10.734  -4.460  -9.884
  349    HG3  LYS  49          2HG       LYS  49  11.145  -4.221 -11.582
  350    HD2  LYS  49          1HD       LYS  49   8.763  -4.939 -12.160
  351    HD3  LYS  49          2HD       LYS  49   8.400  -4.858 -10.432
  352    HE2  LYS  49          1HE       LYS  49   9.277  -2.575 -12.255
  353    HE3  LYS  49          2HE       LYS  49   7.696  -2.806 -11.507
  354    HZ1  LYS  49          1HZ       LYS  49  10.217  -2.059 -10.153
  355    HZ2  LYS  49          2HZ       LYS  49   8.944  -2.645  -9.313
  356    HZ3  LYS  49          3HZ       LYS  49   8.794  -1.243 -10.139
  357    H    ASP  50           H        ASP  50   9.274  -8.896 -11.980
  358    HA   ASP  50           HA       ASP  50  10.560 -11.358 -11.181
  359    HB2  ASP  50          1HB       ASP  50   8.477 -11.246 -12.492
  360    HB3  ASP  50          2HB       ASP  50   9.327 -10.429 -13.806
  361    H    ARG  51           H        ARG  51  12.479 -12.271 -11.871
  362    HA   ARG  51           HA       ARG  51  14.500 -10.406 -12.851
  363    HB2  ARG  51          1HB       ARG  51  16.118 -11.995 -12.108
  364    HB3  ARG  51          2HB       ARG  51  14.871 -11.815 -10.877
  365    HG2  ARG  51          1HG       ARG  51  13.820 -13.960 -11.661
  366    HG3  ARG  51          2HG       ARG  51  15.123 -14.131 -12.854
  367    HD2  ARG  51          1HD       ARG  51  16.798 -14.158 -11.042
  368    HD3  ARG  51          2HD       ARG  51  15.527 -13.991  -9.835
  369    HE   ARG  51           HE       ARG  51  16.224 -16.386 -11.419
  370   HH11  ARG  51          1HH1      ARG  51  13.845 -15.045  -9.214
  371   HH12  ARG  51          2HH1      ARG  51  13.198 -16.616  -8.826
  372   HH21  ARG  51          1HH2      ARG  51  15.351 -18.343 -10.871
  373   HH22  ARG  51          2HH2      ARG  51  14.033 -18.427  -9.740
  374    H    VAL  52           H        VAL  52  12.460 -11.996 -14.753
  375    HA   VAL  52           HA       VAL  52  14.491 -12.585 -16.878
  376    HB   VAL  52           HB       VAL  52  11.976 -14.216 -16.343
  377   HG11  VAL  52          1HG1      VAL  52  12.669 -14.244 -18.704
  378   HG12  VAL  52          2HG1      VAL  52  14.331 -14.665 -18.227
  379   HG13  VAL  52          3HG1      VAL  52  12.995 -15.803 -17.952
  380   HG21  VAL  52          1HG2      VAL  52  13.541 -16.052 -15.684
  381   HG22  VAL  52          2HG2      VAL  52  14.878 -14.880 -15.689
  382   HG23  VAL  52          3HG2      VAL  52  13.526 -14.716 -14.540
  383    H    THR  53           H        THR  53  11.120 -11.631 -16.093
  384    HA   THR  53           HA       THR  53  10.780 -10.604 -18.866
  385    HB   THR  53           HB       THR  53   8.414 -10.605 -18.477
  386    HG1  THR  53          1HG       THR  53   7.616 -11.408 -16.470
  387   HG21  THR  53          1HG2      THR  53   7.926 -12.956 -18.199
  388   HG22  THR  53          2HG2      THR  53   9.474 -13.244 -17.379
  389   HG23  THR  53          3HG2      THR  53   9.443 -12.803 -19.102
  390    H    GLY  54           H        GLY  54  11.323  -9.594 -15.638
  391    HA2  GLY  54          1HA       GLY  54  11.709  -7.531 -14.763
  392    HA3  GLY  54          2HA       GLY  54  11.505  -6.867 -16.383
  393    H    GLN  55           H        GLN  55   8.705  -8.565 -15.599
  394    HA   GLN  55           HA       GLN  55   7.149  -6.113 -15.126
  395    HB2  GLN  55          1HB       GLN  55   6.178  -8.990 -15.267
  396    HB3  GLN  55          2HB       GLN  55   5.214  -7.523 -15.418
  397    HG2  GLN  55          1HG       GLN  55   7.229  -8.637 -17.405
  398    HG3  GLN  55          2HG       GLN  55   5.497  -8.469 -17.615
  399   HE21  GLN  55          1HE2      GLN  55   8.493  -7.019 -18.327
  400   HE22  GLN  55          2HE2      GLN  55   7.864  -5.426 -18.750
  401    H    HIS  56           H        HIS  56   5.457  -6.084 -13.328
  402    HA   HIS  56           HA       HIS  56   6.789  -6.628 -10.810
  403    HB2  HIS  56          1HB       HIS  56   5.004  -5.567  -9.727
  404    HB3  HIS  56          2HB       HIS  56   5.347  -4.653 -11.187
  405    HD2  HIS  56          2HD       HIS  56   3.242  -4.041 -12.610
  406    HE1  HIS  56          1HE       HIS  56   0.444  -6.789 -10.946
  407    HE2  HIS  56          2HE       HIS  56   0.715  -4.805 -12.494
  408    H    GLN  57           H        GLN  57   6.099  -7.910  -9.072
  409    HA   GLN  57           HA       GLN  57   5.343 -10.582  -9.964
  410    HB2  GLN  57          1HB       GLN  57   6.358  -9.509  -7.312
  411    HB3  GLN  57          2HB       GLN  57   6.049 -11.220  -7.645
  412    HG2  GLN  57          1HG       GLN  57   7.667 -11.172  -9.521
  413    HG3  GLN  57          2HG       GLN  57   8.027  -9.481  -9.175
  414   HE21  GLN  57          1HE2      GLN  57   8.190 -12.798  -7.755
  415   HE22  GLN  57          2HE2      GLN  57   9.507 -12.392  -6.665
  416    H    GLY  58           H        GLY  58   3.166  -8.410  -9.634
  417    HA2  GLY  58          1HA       GLY  58   0.877  -8.685  -9.373
  418    HA3  GLY  58          2HA       GLY  58   1.127 -10.196  -8.505
  419    H    TYR  59           H        TYR  59   3.087  -7.898  -7.026
  420    HA   TYR  59           HA       TYR  59   1.011  -6.699  -5.325
  421    HB2  TYR  59          1HB       TYR  59   1.933  -7.489  -3.261
  422    HB3  TYR  59          2HB       TYR  59   1.483  -8.858  -4.252
  423    HD1  TYR  59          1HD       TYR  59   4.210  -7.149  -2.523
  424    HD2  TYR  59          2HD       TYR  59   3.263 -10.233  -5.391
  425    HE1  TYR  59          1HE       TYR  59   6.454  -8.164  -2.181
  426    HE2  TYR  59          2HE       TYR  59   5.538 -11.201  -5.101
  427    HH   TYR  59           HH       TYR  59   7.915  -9.826  -2.795
  428    H    GLY  60           H        GLY  60   1.821  -5.104  -3.849
  429    HA2  GLY  60          1HA       GLY  60   4.444  -3.851  -4.383
  430    HA3  GLY  60          2HA       GLY  60   2.995  -2.958  -4.854
  431    H    PHE  61           H        PHE  61   4.373  -1.608  -3.250
  432    HA   PHE  61           HA       PHE  61   2.977  -1.631  -0.643
  433    HB2  PHE  61          1HB       PHE  61   5.974  -1.256  -1.006
  434    HB3  PHE  61          2HB       PHE  61   5.103  -1.110   0.500
  435    HD1  PHE  61          1HD       PHE  61   6.425  -3.484  -2.010
  436    HD2  PHE  61          2HD       PHE  61   4.397  -3.067   1.772
  437    HE1  PHE  61          1HE       PHE  61   6.895  -5.865  -1.496
  438    HE2  PHE  61          2HE       PHE  61   4.886  -5.450   2.294
  439    HZ   PHE  61           HZ       PHE  61   6.125  -6.854   0.656
  440    H    VAL  62           H        VAL  62   2.829   0.385   0.376
  441    HA   VAL  62           HA       VAL  62   3.781   2.805  -1.100
  442    HB   VAL  62           HB       VAL  62   0.999   2.618   0.107
  443   HG11  VAL  62          1HG1      VAL  62   2.326   4.703  -1.654
  444   HG12  VAL  62          2HG1      VAL  62   0.646   4.725  -1.087
  445   HG13  VAL  62          3HG1      VAL  62   1.950   4.880   0.081
  446   HG21  VAL  62          1HG2      VAL  62   0.977   1.180  -1.850
  447   HG22  VAL  62          2HG2      VAL  62   0.166   2.695  -2.232
  448   HG23  VAL  62          3HG2      VAL  62   1.828   2.423  -2.796
  449    H    GLU  63           H        GLU  63   4.761   4.249   0.191
  450    HA   GLU  63           HA       GLU  63   4.774   3.747   3.139
  451    HB2  GLU  63          1HB       GLU  63   6.865   3.460   1.807
  452    HB3  GLU  63          2HB       GLU  63   6.770   5.182   1.383
  453    HG2  GLU  63          1HG       GLU  63   6.946   5.811   3.744
  454    HG3  GLU  63          2HG       GLU  63   6.993   4.109   4.219
  455    H    PHE  64           H        PHE  64   3.683   5.140   4.350
  456    HA   PHE  64           HA       PHE  64   3.036   7.862   3.361
  457    HB2  PHE  64          1HB       PHE  64   1.922   6.126   5.590
  458    HB3  PHE  64          2HB       PHE  64   1.510   7.819   5.384
  459    HD1  PHE  64          1HD       PHE  64   0.278   8.645   3.457
  460    HD2  PHE  64          2HD       PHE  64   1.070   4.438   3.959
  461    HE1  PHE  64          1HE       PHE  64  -1.460   8.109   1.759
  462    HE2  PHE  64          2HE       PHE  64  -0.679   3.909   2.268
  463    HZ   PHE  64           HZ       PHE  64  -1.965   5.767   1.197
  464    H    LEU  65           H        LEU  65   3.161   9.667   4.800
  465    HA   LEU  65           HA       LEU  65   5.669   9.973   6.096
  466    HB2  LEU  65          1HB       LEU  65   4.064  11.743   5.096
  467    HB3  LEU  65          2HB       LEU  65   3.176  11.614   6.621
  468    HG   LEU  65           HG       LEU  65   5.384  12.205   7.797
  469   HD11  LEU  65          1HD1      LEU  65   7.019  13.469   6.425
  470   HD12  LEU  65          2HD1      LEU  65   6.122  13.038   4.953
  471   HD13  LEU  65          3HD1      LEU  65   6.936  11.781   5.911
  472   HD21  LEU  65          1HD2      LEU  65   3.529  13.809   7.517
  473   HD22  LEU  65          2HD2      LEU  65   4.131  14.246   5.903
  474   HD23  LEU  65          3HD2      LEU  65   5.093  14.621   7.352
  475    H    SER  66           H        SER  66   2.511   9.052   7.411
  476    HA   SER  66           HA       SER  66   3.756   8.364  10.038
  477    HB2  SER  66          1HB       SER  66   1.139   9.881   9.850
  478    HB3  SER  66          2HB       SER  66   2.067   9.466  11.293
  479    HG   SER  66           HG       SER  66   2.328  11.666  10.683
  480    H    GLU  67           H        GLU  67   2.599   7.006  11.341
  481    HA   GLU  67           HA       GLU  67   1.645   4.702  10.004
  482    HB2  GLU  67          1HB       GLU  67   1.465   5.576  12.917
  483    HB3  GLU  67          2HB       GLU  67   1.163   3.960  12.304
  484    HG2  GLU  67          1HG       GLU  67   3.315   3.783  13.101
  485    HG3  GLU  67          2HG       GLU  67   3.504   3.936  11.355
  486    H    GLU  68           H        GLU  68  -0.197   7.306  11.630
  487    HA   GLU  68           HA       GLU  68  -2.750   5.991  11.461
  488    HB2  GLU  68          1HB       GLU  68  -3.695   8.154  12.015
  489    HB3  GLU  68          2HB       GLU  68  -2.315   7.779  13.045
  490    HG2  GLU  68          1HG       GLU  68  -0.882   9.284  11.648
  491    HG3  GLU  68          2HG       GLU  68  -2.285   9.680  10.655
  492    H    ASP  69           H        ASP  69  -0.909   7.764   9.061
  493    HA   ASP  69           HA       ASP  69  -3.159   8.132   7.206
  494    HB2  ASP  69          1HB       ASP  69  -0.146   8.387   6.899
  495    HB3  ASP  69          2HB       ASP  69  -1.281   8.720   5.616
  496    H    ALA  70           H        ALA  70  -0.633   5.692   7.809
  497    HA   ALA  70           HA       ALA  70  -1.242   4.087   5.468
  498    HB1  ALA  70          1HB       ALA  70   0.241   3.497   8.083
  499    HB2  ALA  70          2HB       ALA  70   0.201   2.424   6.683
  500    HB3  ALA  70          3HB       ALA  70   0.957   4.023   6.550
  501    H    ASP  71           H        ASP  71  -2.135   3.891   8.960
  502    HA   ASP  71           HA       ASP  71  -3.863   1.653   8.855
  503    HB2  ASP  71          1HB       ASP  71  -4.009   4.195  10.524
  504    HB3  ASP  71          2HB       ASP  71  -5.036   2.796  10.789
  505    H    TYR  72           H        TYR  72  -4.542   5.022   7.917
  506    HA   TYR  72           HA       TYR  72  -7.383   4.542   7.437
  507    HB2  TYR  72          1HB       TYR  72  -6.408   6.744   8.106
  508    HB3  TYR  72          2HB       TYR  72  -5.597   6.823   6.537
  509    HD1  TYR  72          1HD       TYR  72  -6.703   7.905   4.778
  510    HD2  TYR  72          2HD       TYR  72  -9.034   6.339   8.042
  511    HE1  TYR  72          1HE       TYR  72  -8.758   8.887   3.767
  512    HE2  TYR  72          2HE       TYR  72 -11.098   7.315   7.032
  513    HH   TYR  72           HH       TYR  72 -11.024   9.185   3.975
  514    H    ALA  73           H        ALA  73  -4.444   4.566   5.342
  515    HA   ALA  73           HA       ALA  73  -5.861   4.436   2.848
  516    HB1  ALA  73          1HB       ALA  73  -3.459   5.015   3.143
  517    HB2  ALA  73          2HB       ALA  73  -3.119   3.327   3.571
  518    HB3  ALA  73          3HB       ALA  73  -3.733   3.734   1.949
  519    H    ILE  74           H        ILE  74  -4.845   1.923   5.145
  520    HA   ILE  74           HA       ILE  74  -5.706  -0.369   3.658
  521    HB   ILE  74           HB       ILE  74  -5.476   0.118   6.655
  522   HG12  ILE  74          1HG1      ILE  74  -3.497  -1.337   4.856
  523   HG13  ILE  74          2HG1      ILE  74  -3.392   0.399   5.116
  524   HG21  ILE  74          1HG2      ILE  74  -5.265  -2.400   6.813
  525   HG22  ILE  74          2HG2      ILE  74  -6.861  -1.866   6.304
  526   HG23  ILE  74          3HG2      ILE  74  -5.723  -2.496   5.101
  527   HD11  ILE  74          1HD1      ILE  74  -3.237  -1.654   7.344
  528   HD12  ILE  74          2HD1      ILE  74  -1.888  -0.795   6.584
  529   HD13  ILE  74          3HD1      ILE  74  -3.093   0.115   7.501
  530    H    LYS  75           H        LYS  75  -7.508   1.901   5.711
  531    HA   LYS  75           HA       LYS  75  -9.970   0.371   5.767
  532    HB2  LYS  75          1HB       LYS  75  -9.420   1.968   7.501
  533    HB3  LYS  75          2HB       LYS  75  -9.357   3.298   6.345
  534    HG2  LYS  75          1HG       LYS  75 -11.718   3.162   5.904
  535    HG3  LYS  75          2HG       LYS  75 -11.856   1.686   6.885
  536    HD2  LYS  75          1HD       LYS  75 -11.211   2.987   8.911
  537    HD3  LYS  75          2HD       LYS  75 -10.977   4.426   7.910
  538    HE2  LYS  75          1HE       LYS  75 -13.093   4.660   8.989
  539    HE3  LYS  75          2HE       LYS  75 -13.390   4.374   7.273
  540    HZ1  LYS  75          1HZ       LYS  75 -13.591   2.308   9.409
  541    HZ2  LYS  75          2HZ       LYS  75 -13.905   2.050   7.823
  542    HZ3  LYS  75          3HZ       LYS  75 -14.858   3.044   8.695
  543    H    ILE  76           H        ILE  76  -8.749   2.892   3.531
  544    HA   ILE  76           HA       ILE  76 -11.359   2.883   2.142
  545    HB   ILE  76           HB       ILE  76 -10.552   4.852   0.988
  546   HG12  ILE  76          1HG1      ILE  76  -8.124   4.968   2.782
  547   HG13  ILE  76          2HG1      ILE  76  -8.042   4.181   1.216
  548   HG21  ILE  76          1HG2      ILE  76 -11.778   4.979   3.166
  549   HG22  ILE  76          2HG2      ILE  76 -10.219   5.063   4.017
  550   HG23  ILE  76          3HG2      ILE  76 -10.702   6.358   2.908
  551   HD11  ILE  76          1HD1      ILE  76  -7.351   6.424   0.905
  552   HD12  ILE  76          2HD1      ILE  76  -8.951   6.287   0.181
  553   HD13  ILE  76          3HD1      ILE  76  -8.759   7.066   1.780
  554    H    MET  77           H        MET  77  -8.261   1.496   1.490
  555    HA   MET  77           HA       MET  77  -8.924   1.215  -1.418
  556    HB2  MET  77          1HB       MET  77  -6.364   1.035   0.131
  557    HB3  MET  77          2HB       MET  77  -6.463   0.633  -1.577
  558    HG2  MET  77          1HG       MET  77  -7.422   3.317  -0.573
  559    HG3  MET  77          2HG       MET  77  -5.748   3.036  -0.958
  560    HE1  MET  77          1HE       MET  77  -6.932   5.210  -3.867
  561    HE2  MET  77          2HE       MET  77  -6.645   5.248  -2.121
  562    HE3  MET  77          3HE       MET  77  -5.382   4.626  -3.222
  563    H    ASP  78           H        ASP  78  -9.351  -0.731   1.236
  564    HA   ASP  78           HA       ASP  78  -8.223  -3.204   0.132
  565    HB2  ASP  78          1HB       ASP  78  -8.125  -2.770   2.516
  566    HB3  ASP  78          2HB       ASP  78  -9.890  -2.730   2.614
  567    H    MET  79           H        MET  79  -9.186  -4.933  -0.736
  568    HA   MET  79           HA       MET  79 -10.530  -6.112  -2.027
  569    HB2  MET  79          1HB       MET  79 -12.623  -5.384   0.018
  570    HB3  MET  79          2HB       MET  79 -12.835  -6.635  -1.204
  571    HG2  MET  79          1HG       MET  79 -10.503  -6.720   0.738
  572    HG3  MET  79          2HG       MET  79 -12.097  -7.308   1.154
  573    HE1  MET  79          1HE       MET  79  -9.860  -8.049  -2.359
  574    HE2  MET  79          2HE       MET  79  -8.896  -7.800  -0.881
  575    HE3  MET  79          3HE       MET  79  -9.061  -9.423  -1.586
  576    H    ILE  80           H        ILE  80 -10.259  -3.285  -2.661
  577    HA   ILE  80           HA       ILE  80 -12.543  -2.671  -4.403
  578    HB   ILE  80           HB       ILE  80 -10.085  -1.320  -3.325
  579   HG12  ILE  80          1HG1      ILE  80 -12.970  -0.409  -3.566
  580   HG13  ILE  80          2HG1      ILE  80 -12.429  -1.435  -2.256
  581   HG21  ILE  80          1HG2      ILE  80 -11.615  -0.194  -5.687
  582   HG22  ILE  80          2HG2      ILE  80 -10.392   0.648  -4.696
  583   HG23  ILE  80          3HG2      ILE  80  -9.908  -0.735  -5.669
  584   HD11  ILE  80          1HD1      ILE  80 -11.306   1.338  -2.781
  585   HD12  ILE  80          2HD1      ILE  80 -12.497   0.890  -1.546
  586   HD13  ILE  80          3HD1      ILE  80 -10.861   0.221  -1.471
  587    H    LYS  81           H        LYS  81 -12.361  -2.385  -6.680
  588    HA   LYS  81           HA       LYS  81 -10.541  -4.423  -7.849
  589    HB2  LYS  81          1HB       LYS  81 -13.193  -3.330  -8.825
  590    HB3  LYS  81          2HB       LYS  81 -12.214  -4.569  -9.630
  591    HG2  LYS  81          1HG       LYS  81 -12.384  -5.958  -7.495
  592    HG3  LYS  81          2HG       LYS  81 -13.543  -4.767  -6.897
  593    HD2  LYS  81          1HD       LYS  81 -14.888  -6.478  -7.767
  594    HD3  LYS  81          2HD       LYS  81 -14.905  -5.239  -9.030
  595    HE2  LYS  81          1HE       LYS  81 -13.028  -6.529 -10.178
  596    HE3  LYS  81          2HE       LYS  81 -13.217  -7.783  -8.951
  597    HZ1  LYS  81          1HZ       LYS  81 -14.488  -8.306 -10.955
  598    HZ2  LYS  81          2HZ       LYS  81 -15.352  -6.928 -10.835
  599    HZ3  LYS  81          3HZ       LYS  81 -15.512  -8.095  -9.703
  600    H    LEU  82           H        LEU  82  -8.797  -2.822  -7.758
  601    HA   LEU  82           HA       LEU  82  -8.657  -0.593  -9.534
  602    HB2  LEU  82          1HB       LEU  82  -7.051  -1.117  -7.668
  603    HB3  LEU  82          2HB       LEU  82  -6.425  -2.467  -8.607
  604    HG   LEU  82           HG       LEU  82  -5.544  -0.932 -10.304
  605   HD11  LEU  82          1HD1      LEU  82  -6.773   1.263  -8.577
  606   HD12  LEU  82          2HD1      LEU  82  -7.152   0.903 -10.279
  607   HD13  LEU  82          3HD1      LEU  82  -5.570   1.546  -9.849
  608   HD21  LEU  82          1HD2      LEU  82  -4.185  -1.455  -8.291
  609   HD22  LEU  82          2HD2      LEU  82  -4.860  -0.035  -7.467
  610   HD23  LEU  82          3HD2      LEU  82  -3.840   0.172  -8.903
  611    H    TYR  83           H        TYR  83  -8.463  -0.497 -11.805
  612    HA   TYR  83           HA       TYR  83  -9.034  -1.342 -13.842
  613    HB2  TYR  83          1HB       TYR  83  -6.555  -3.007 -13.343
  614    HB3  TYR  83          2HB       TYR  83  -7.242  -2.630 -14.911
  615    HD1  TYR  83          1HD       TYR  83  -7.653   0.005 -15.355
  616    HD2  TYR  83          2HD       TYR  83  -4.709  -1.719 -12.716
  617    HE1  TYR  83          1HE       TYR  83  -6.233   2.031 -15.614
  618    HE2  TYR  83          2HE       TYR  83  -3.279   0.295 -13.004
  619    HH   TYR  83           HH       TYR  83  -4.268   3.064 -15.056
  620    H    GLY  84           H        GLY  84 -10.518  -2.923 -11.767
  621    HA2  GLY  84          1HA       GLY  84 -12.181  -4.506 -12.042
  622    HA3  GLY  84          2HA       GLY  84 -11.513  -4.970 -13.599
  623    H    LYS  85           H        LYS  85  -9.451  -5.118 -10.747
  624    HA   LYS  85           HA       LYS  85  -9.711  -8.030 -10.416
  625    HB2  LYS  85          1HB       LYS  85  -7.861  -7.559 -12.002
  626    HB3  LYS  85          2HB       LYS  85  -7.116  -6.483 -10.812
  627    HG2  LYS  85          1HG       LYS  85  -6.896  -8.425  -9.239
  628    HG3  LYS  85          2HG       LYS  85  -7.605  -9.481 -10.475
  629    HD2  LYS  85          1HD       LYS  85  -5.736  -8.943 -12.016
  630    HD3  LYS  85          2HD       LYS  85  -5.048  -7.845 -10.799
  631    HE2  LYS  85          1HE       LYS  85  -4.816  -9.746  -9.218
  632    HE3  LYS  85          2HE       LYS  85  -5.479 -10.844 -10.435
  633    HZ1  LYS  85          1HZ       LYS  85  -2.964  -9.277 -10.744
  634    HZ2  LYS  85          2HZ       LYS  85  -3.574 -10.316 -11.859
  635    HZ3  LYS  85          3HZ       LYS  85  -3.044 -10.884 -10.425
  636    HA   PRO  86           HA       PRO  86 -10.116  -6.054  -6.443
  637    HB2  PRO  86          1HB       PRO  86 -10.534  -8.227  -4.813
  638    HB3  PRO  86          2HB       PRO  86 -11.742  -7.546  -5.944
  639    HG2  PRO  86          1HG       PRO  86  -9.902  -9.905  -6.379
  640    HG3  PRO  86          2HG       PRO  86 -11.650  -9.775  -6.748
  641    HD2  PRO  86          1HD       PRO  86  -9.734  -9.434  -8.651
  642    HD3  PRO  86          2HD       PRO  86 -11.220  -8.428  -8.680
  643    H    ILE  87           H        ILE  87  -8.519  -5.075  -5.386
  644    HA   ILE  87           HA       ILE  87  -6.026  -6.514  -4.741
  645    HB   ILE  87           HB       ILE  87  -5.155  -4.333  -4.022
  646   HG12  ILE  87          1HG1      ILE  87  -7.513  -2.991  -5.366
  647   HG13  ILE  87          2HG1      ILE  87  -7.511  -3.272  -3.621
  648   HG21  ILE  87          1HG2      ILE  87  -4.759  -5.246  -6.258
  649   HG22  ILE  87          2HG2      ILE  87  -6.233  -4.477  -6.873
  650   HG23  ILE  87          3HG2      ILE  87  -4.867  -3.483  -6.332
  651   HD11  ILE  87          1HD1      ILE  87  -5.460  -1.628  -5.161
  652   HD12  ILE  87          2HD1      ILE  87  -6.772  -1.016  -4.138
  653   HD13  ILE  87          3HD1      ILE  87  -5.444  -1.936  -3.407
  654    H    ARG  88           H        ARG  88  -5.231  -6.895  -2.766
  655    HA   ARG  88           HA       ARG  88  -7.016  -6.537  -0.378
  656    HB2  ARG  88          1HB       ARG  88  -6.374  -8.896  -1.066
  657    HB3  ARG  88          2HB       ARG  88  -4.687  -8.458  -0.826
  658    HG2  ARG  88          1HG       ARG  88  -5.343  -9.621   1.121
  659    HG3  ARG  88          2HG       ARG  88  -5.264  -7.926   1.608
  660    HD2  ARG  88          1HD       ARG  88  -7.763  -7.781   1.345
  661    HD3  ARG  88          2HD       ARG  88  -7.788  -9.472   0.861
  662    HE   ARG  88           HE       ARG  88  -7.214 -10.160   3.054
  663   HH11  ARG  88          1HH1      ARG  88  -7.777  -6.667   2.988
  664   HH12  ARG  88          2HH1      ARG  88  -7.899  -6.607   4.715
  665   HH21  ARG  88          1HH2      ARG  88  -7.371  -9.951   5.241
  666   HH22  ARG  88          2HH2      ARG  88  -7.630  -8.390   5.957
  667    H    VAL  89           H        VAL  89  -6.373  -5.130   1.163
  668    HA   VAL  89           HA       VAL  89  -3.574  -4.075   1.023
  669    HB   VAL  89           HB       VAL  89  -6.041  -2.423   1.629
  670   HG11  VAL  89          1HG1      VAL  89  -3.966  -1.569   2.694
  671   HG12  VAL  89          2HG1      VAL  89  -3.135  -1.626   1.133
  672   HG13  VAL  89          3HG1      VAL  89  -4.497  -0.512   1.388
  673   HG21  VAL  89          1HG2      VAL  89  -6.034  -3.016  -0.761
  674   HG22  VAL  89          2HG2      VAL  89  -5.538  -1.336  -0.566
  675   HG23  VAL  89          3HG2      VAL  89  -4.316  -2.581  -0.873
  676    H    ASN  90           H        ASN  90  -2.450  -3.839   2.868
  677    HA   ASN  90           HA       ASN  90  -3.689  -3.754   5.476
  678    HB2  ASN  90          1HB       ASN  90  -3.331  -6.367   4.443
  679    HB3  ASN  90          2HB       ASN  90  -1.932  -6.129   5.479
  680   HD21  ASN  90          1HD2      ASN  90  -5.715  -5.988   7.111
  681   HD22  ASN  90          2HD2      ASN  90  -5.463  -5.586   5.403
  682    H    LYS  91           H        LYS  91  -1.747  -4.215   7.222
  683    HA   LYS  91           HA       LYS  91   0.288  -2.187   6.751
  684    HB2  LYS  91          1HB       LYS  91   0.187  -4.424   8.816
  685    HB3  LYS  91          2HB       LYS  91   1.221  -3.003   8.906
  686    HG2  LYS  91          1HG       LYS  91  -1.831  -2.950   8.994
  687    HG3  LYS  91          2HG       LYS  91  -0.802  -2.984  10.409
  688    HD2  LYS  91          1HD       LYS  91  -0.440  -0.794   8.338
  689    HD3  LYS  91          2HD       LYS  91  -1.749  -0.690   9.508
  690    HE2  LYS  91          1HE       LYS  91   1.103  -1.189  10.410
  691    HE3  LYS  91          2HE       LYS  91   0.539   0.439  10.001
  692    HZ1  LYS  91          1HZ       LYS  91   0.315  -0.092  12.357
  693    HZ2  LYS  91          2HZ       LYS  91  -0.763  -1.257  12.043
  694    HZ3  LYS  91          3HZ       LYS  91  -1.151   0.302  11.645
  695    H    ALA  92           H        ALA  92   2.447  -2.403   6.115
  696    HA   ALA  92           HA       ALA  92   3.270  -4.773   4.675
  697    HB1  ALA  92          1HB       ALA  92   4.914  -2.444   5.752
  698    HB2  ALA  92          2HB       ALA  92   5.427  -3.607   4.514
  699    HB3  ALA  92          3HB       ALA  92   4.090  -2.495   4.171
  700    H    SER  93           H        SER  93   3.690  -3.684   7.993
  701    HA   SER  93           HA       SER  93   4.768  -6.372   8.771
  702    HB2  SER  93          1HB       SER  93   5.343  -3.654   9.978
  703    HB3  SER  93          2HB       SER  93   5.651  -5.194  10.811
  704    HG   SER  93           HG       SER  93   6.642  -4.626   8.210
  705    H    ALA  94           H        ALA  94   2.564  -7.094   8.777
  706    HA   ALA  94           HA       ALA  94   0.581  -5.843  10.482
  707    HB1  ALA  94          1HB       ALA  94  -0.870  -7.637   9.660
  708    HB2  ALA  94          2HB       ALA  94   0.013  -6.874   8.332
  709    HB3  ALA  94          3HB       ALA  94   0.530  -8.466   8.944
  710    H    HIS  95           H        HIS  95   2.583  -6.214  12.144
  711    HA   HIS  95           HA       HIS  95   1.886  -8.510  13.948
  712    HB2  HIS  95          1HB       HIS  95   4.572  -7.409  13.074
  713    HB3  HIS  95          2HB       HIS  95   4.379  -8.170  14.648
  714    HD2  HIS  95          2HD       HIS  95   3.667  -9.180  10.928
  715    HE1  HIS  95          1HE       HIS  95   4.972 -12.638  13.056
  716    HE2  HIS  95          2HE       HIS  95   4.270 -11.742  10.780
  717    H    ASN  96           H        ASN  96   1.839  -8.110  16.111
  718    HA   ASN  96           HA       ASN  96   2.204  -5.296  17.067
  719    HB2  ASN  96          1HB       ASN  96  -0.148  -5.919  17.065
  720    HB3  ASN  96          2HB       ASN  96   0.204  -7.422  17.932
  721   HD21  ASN  96          1HD2      ASN  96  -1.437  -6.556  19.487
  722   HD22  ASN  96          2HD2      ASN  96  -0.871  -5.411  20.692
  723    H    LYS  97           H        LYS  97   3.917  -5.098  18.285
  724    HA   LYS  97           HA       LYS  97   4.906  -7.348  20.007
  725    HB2  LYS  97          1HB       LYS  97   6.254  -5.377  18.219
  726    HB3  LYS  97          2HB       LYS  97   7.030  -5.611  19.766
  727    HG2  LYS  97          1HG       LYS  97   7.943  -7.069  18.018
  728    HG3  LYS  97          2HG       LYS  97   7.340  -7.950  19.418
  729    HD2  LYS  97          1HD       LYS  97   5.382  -8.702  18.211
  730    HD3  LYS  97          2HD       LYS  97   5.765  -7.665  16.819
  731    HE2  LYS  97          1HE       LYS  97   7.810  -8.952  16.386
  732    HE3  LYS  97          2HE       LYS  97   7.592  -9.865  17.881
  733    HZ1  LYS  97          1HZ       LYS  97   5.551 -10.817  16.928
  734    HZ2  LYS  97          2HZ       LYS  97   6.844 -11.163  16.002
  735    HZ3  LYS  97          3HZ       LYS  97   5.787 -10.031  15.513
  736    H    ASN  98           H        ASN  98   2.918  -4.934  20.504
  737    HA   ASN  98           HA       ASN  98   4.049  -3.634  22.836
  738    HB2  ASN  98          1HB       ASN  98   2.141  -2.790  21.373
  739    HB3  ASN  98          2HB       ASN  98   1.121  -4.034  22.099
  740   HD21  ASN  98          1HD2      ASN  98  -0.165  -2.023  22.646
  741   HD22  ASN  98          2HD2      ASN  98   0.270  -1.199  24.136
  742    H    LEU  99           H        LEU  99   3.314  -3.961  25.049
  743    HA   LEU  99           HA       LEU  99   3.489  -6.797  25.790
  744    HB2  LEU  99          1HB       LEU  99   3.405  -4.286  27.502
  745    HB3  LEU  99          2HB       LEU  99   3.755  -5.910  28.083
  746    HG   LEU  99           HG       LEU  99   5.477  -4.307  26.139
  747   HD11  LEU  99          1HD1      LEU  99   5.529  -3.493  28.468
  748   HD12  LEU  99          2HD1      LEU  99   7.069  -4.231  28.001
  749   HD13  LEU  99          3HD1      LEU  99   5.935  -5.128  29.036
  750   HD21  LEU  99          1HD2      LEU  99   5.936  -7.062  27.370
  751   HD22  LEU  99          2HD2      LEU  99   7.156  -6.113  26.490
  752   HD23  LEU  99          3HD2      LEU  99   5.724  -6.694  25.640
  753    H    SER 100           H        SER 100   2.164  -7.861  27.295
  754    HA   SER 100           HA       SER 100  -0.476  -6.812  28.009
  755    HB2  SER 100          1HB       SER 100  -0.757  -7.786  25.694
  756    HB3  SER 100          2HB       SER 100  -0.286  -9.364  26.358
  757    HG   SER 100           HG       SER 100  -2.580  -9.029  26.315
  758    H    GLY 101           H        GLY 101  -1.606  -8.257  29.495
  759    HA2  GLY 101          1HA       GLY 101  -1.768  -9.556  31.384
  760    HA3  GLY 101          2HA       GLY 101  -0.527 -10.591  30.690
  761    HA   PRO 102           HA       PRO 102   1.795  -7.239  33.376
  762    HB2  PRO 102          1HB       PRO 102  -0.461  -6.369  35.173
  763    HB3  PRO 102          2HB       PRO 102   0.927  -5.418  34.560
  764    HG2  PRO 102          1HG       PRO 102  -1.521  -5.117  33.446
  765    HG3  PRO 102          2HG       PRO 102  -0.072  -5.231  32.390
  766    HD2  PRO 102          1HD       PRO 102  -2.029  -7.432  33.131
  767    HD3  PRO 102          2HD       PRO 102  -1.416  -6.964  31.518
  768    H    SER 103           H        SER 103   2.850  -7.600  35.372
  769    HA   SER 103           HA       SER 103   2.248 -10.115  36.734
  770    HB2  SER 103          1HB       SER 103   4.557  -9.321  36.168
  771    HB3  SER 103          2HB       SER 103   4.379  -8.061  37.406
  772    HG   SER 103           HG       SER 103   5.407  -9.988  38.190
  773    H    SER 104           H        SER 104   2.011 -10.346  39.037
  774    HA   SER 104           HA       SER 104   1.129  -8.073  40.664
  775    HB2  SER 104          1HB       SER 104  -0.908  -8.821  39.343
  776    HB3  SER 104          2HB       SER 104  -0.810 -10.369  40.203
  777    HG   SER 104           HG       SER 104  -2.221  -8.841  41.224
  778    H    GLY 105           H        GLY 105   0.773  -8.668  42.902
  779    HA2  GLY 105          1HA       GLY 105   2.820 -10.455  43.942
  780    HA3  GLY 105          2HA       GLY 105   1.690  -9.481  44.879
  Start of MODEL    7
    1    H1   GLY   1          1H        GLY   1  17.943 -10.742   4.581
    2    H2   GLY   1          2H        GLY   1  17.321 -12.220   4.228
    3    H3   GLY   1          3H        GLY   1  17.371 -11.702   5.790
    4    HA2  GLY   1          1HA       GLY   1  15.812  -9.931   5.318
    5    HA3  GLY   1          2HA       GLY   1  15.771 -10.483   3.633
    6    H    SER   2           H        SER   2  13.896 -11.497   3.242
    7    HA   SER   2           HA       SER   2  12.959 -13.678   5.024
    8    HB2  SER   2          1HB       SER   2  11.770 -11.501   5.596
    9    HB3  SER   2          2HB       SER   2  11.058 -11.555   3.971
   10    HG   SER   2           HG       SER   2   9.741 -12.551   5.612
   11    H    SER   3           H        SER   3  10.995 -14.774   3.848
   12    HA   SER   3           HA       SER   3  10.575 -16.352   2.248
   13    HB2  SER   3          1HB       SER   3  10.774 -13.936   0.424
   14    HB3  SER   3          2HB       SER   3   9.945 -15.461   0.055
   15    HG   SER   3           HG       SER   3   8.505 -13.861   0.858
   16    H    GLY   4           H        GLY   4  13.313 -16.362   2.918
   17    HA2  GLY   4          1HA       GLY   4  15.144 -17.622   2.277
   18    HA3  GLY   4          2HA       GLY   4  14.446 -17.845   0.675
   19    H    SER   5           H        SER   5  14.508 -14.502   1.231
   20    HA   SER   5           HA       SER   5  16.778 -14.121  -0.554
   21    HB2  SER   5          1HB       SER   5  14.804 -12.686  -0.699
   22    HB3  SER   5          2HB       SER   5  15.106 -12.080   0.944
   23    HG   SER   5           HG       SER   5  15.965 -10.739  -0.784
   24    H    SER   6           H        SER   6  18.809 -13.569  -0.120
   25    HA   SER   6           HA       SER   6  19.823 -13.415   2.627
   26    HB2  SER   6          1HB       SER   6  22.025 -13.321   1.491
   27    HB3  SER   6          2HB       SER   6  21.046 -14.715   1.007
   28    HG   SER   6           HG       SER   6  22.011 -13.650  -0.797
   29    H    GLY   7           H        GLY   7  18.512 -11.101   0.523
   30    HA2  GLY   7          1HA       GLY   7  20.331  -8.930   0.825
   31    HA3  GLY   7          2HA       GLY   7  18.642  -8.799   0.355
   32    HA   PRO   8           HA       PRO   8  19.194  -7.294   4.853
   33    HB2  PRO   8          1HB       PRO   8  20.134  -4.757   4.716
   34    HB3  PRO   8          2HB       PRO   8  21.229  -6.168   4.604
   35    HG2  PRO   8          1HG       PRO   8  20.039  -4.555   2.316
   36    HG3  PRO   8          2HG       PRO   8  21.761  -4.980   2.585
   37    HD2  PRO   8          1HD       PRO   8  20.118  -6.455   0.959
   38    HD3  PRO   8          2HD       PRO   8  21.413  -7.209   1.937
   39    H    ILE   9           H        ILE   9  18.000  -5.471   5.911
   40    HA   ILE   9           HA       ILE   9  16.132  -3.927   4.251
   41    HB   ILE   9           HB       ILE   9  14.889  -5.961   4.855
   42   HG12  ILE   9          1HG1      ILE   9  13.743  -3.516   6.236
   43   HG13  ILE   9          2HG1      ILE   9  13.792  -3.757   4.486
   44   HG21  ILE   9          1HG2      ILE   9  14.221  -6.492   7.124
   45   HG22  ILE   9          2HG2      ILE   9  15.979  -6.438   7.056
   46   HG23  ILE   9          3HG2      ILE   9  15.081  -5.078   7.760
   47   HD11  ILE   9          1HD1      ILE   9  12.268  -5.455   6.502
   48   HD12  ILE   9          2HD1      ILE   9  11.602  -4.358   5.284
   49   HD13  ILE   9          3HD1      ILE   9  12.425  -5.842   4.770
   50    H    SER  10           H        SER  10  15.585  -1.937   5.117
   51    HA   SER  10           HA       SER  10  17.433  -0.861   7.049
   52    HB2  SER  10          1HB       SER  10  14.999   0.454   5.793
   53    HB3  SER  10          2HB       SER  10  16.377   1.268   6.561
   54    HG   SER  10           HG       SER  10  16.577   1.208   4.270
   55    H    GLU  11           H        GLU  11  14.424  -2.338   7.521
   56    HA   GLU  11           HA       GLU  11  12.890  -2.558   9.147
   57    HB2  GLU  11          1HB       GLU  11  15.133  -1.681  10.989
   58    HB3  GLU  11          2HB       GLU  11  13.639  -2.481  11.474
   59    HG2  GLU  11          1HG       GLU  11  14.233  -4.435  10.032
   60    HG3  GLU  11          2HG       GLU  11  15.783  -3.667   9.669
   61    H    ARG  12           H        ARG  12  14.222   0.701   9.210
   62    HA   ARG  12           HA       ARG  12  12.575   1.860  11.133
   63    HB2  ARG  12          1HB       ARG  12  13.086   4.028  10.067
   64    HB3  ARG  12          2HB       ARG  12  14.492   3.029  10.410
   65    HG2  ARG  12          1HG       ARG  12  14.858   2.494   8.133
   66    HG3  ARG  12          2HG       ARG  12  13.252   3.023   7.626
   67    HD2  ARG  12          1HD       ARG  12  15.345   4.905   8.774
   68    HD3  ARG  12          2HD       ARG  12  15.141   4.573   7.044
   69    HE   ARG  12           HE       ARG  12  12.587   5.265   7.955
   70   HH11  ARG  12          1HH1      ARG  12  15.631   6.998   7.736
   71   HH12  ARG  12          2HH1      ARG  12  14.820   8.536   7.596
   72   HH21  ARG  12          1HH2      ARG  12  11.662   7.136   7.791
   73   HH22  ARG  12          2HH2      ARG  12  12.578   8.625   7.622
   74    H    ASN  13           H        ASN  13  10.731   2.852  11.298
   75    HA   ASN  13           HA       ASN  13   8.524   3.164  11.063
   76    HB2  ASN  13          1HB       ASN  13   7.994   5.004   9.633
   77    HB3  ASN  13          2HB       ASN  13   9.582   5.228  10.337
   78   HD21  ASN  13          1HD2      ASN  13   8.018   4.009   7.340
   79   HD22  ASN  13          2HD2      ASN  13   9.227   4.716   6.254
   80    H    GLN  14           H        GLN  14   9.117   0.548   9.844
   81    HA   GLN  14           HA       GLN  14   7.741   0.345   7.384
   82    HB2  GLN  14          1HB       GLN  14   9.448  -1.254   8.618
   83    HB3  GLN  14          2HB       GLN  14   7.989  -2.000   9.272
   84    HG2  GLN  14          1HG       GLN  14   8.669  -3.210   7.297
   85    HG3  GLN  14          2HG       GLN  14   7.189  -2.347   6.893
   86   HE21  GLN  14          1HE2      GLN  14  10.781  -2.238   6.556
   87   HE22  GLN  14          2HE2      GLN  14  10.740  -1.265   5.091
   88    H    ASP  15           H        ASP  15   6.380   0.468  10.585
   89    HA   ASP  15           HA       ASP  15   3.756  -0.587   9.987
   90    HB2  ASP  15          1HB       ASP  15   4.671   1.494  12.015
   91    HB3  ASP  15          2HB       ASP  15   3.080   0.738  11.982
   92    H    ALA  16           H        ALA  16   5.316   2.444   9.147
   93    HA   ALA  16           HA       ALA  16   2.784   3.710   8.307
   94    HB1  ALA  16          1HB       ALA  16   4.535   5.059   9.454
   95    HB2  ALA  16          2HB       ALA  16   5.637   4.740   8.094
   96    HB3  ALA  16          3HB       ALA  16   4.140   5.653   7.831
   97    H    THR  17           H        THR  17   4.630   1.295   7.032
   98    HA   THR  17           HA       THR  17   4.055   2.091   4.217
   99    HB   THR  17           HB       THR  17   5.653  -0.308   5.129
  100    HG1  THR  17          1HG       THR  17   7.430   0.842   4.748
  101   HG21  THR  17          1HG2      THR  17   6.530  -0.259   2.804
  102   HG22  THR  17          2HG2      THR  17   5.488   1.119   2.427
  103   HG23  THR  17          3HG2      THR  17   4.776  -0.466   2.804
  104    H    VAL  18           H        VAL  18   2.484   1.063   3.100
  105    HA   VAL  18           HA       VAL  18   1.014  -1.179   4.432
  106    HB   VAL  18           HB       VAL  18  -0.938  -0.661   3.201
  107   HG11  VAL  18          1HG1      VAL  18   0.156   1.960   4.305
  108   HG12  VAL  18          2HG1      VAL  18  -1.541   1.495   4.146
  109   HG13  VAL  18          3HG1      VAL  18  -0.496   0.636   5.296
  110   HG21  VAL  18          1HG2      VAL  18  -0.011   0.180   1.066
  111   HG22  VAL  18          2HG2      VAL  18  -1.177   1.314   1.756
  112   HG23  VAL  18          3HG2      VAL  18   0.557   1.641   1.911
  113    H    TYR  19           H        TYR  19   0.535  -2.991   3.304
  114    HA   TYR  19           HA       TYR  19   2.051  -3.590   0.798
  115    HB2  TYR  19          1HB       TYR  19   2.528  -5.182   2.506
  116    HB3  TYR  19          2HB       TYR  19   0.858  -5.244   3.034
  117    HD1  TYR  19          1HD       TYR  19  -0.842  -6.545   1.851
  118    HD2  TYR  19          2HD       TYR  19   3.255  -6.486   0.505
  119    HE1  TYR  19          1HE       TYR  19  -1.271  -8.567   0.476
  120    HE2  TYR  19          2HE       TYR  19   2.828  -8.534  -0.850
  121    HH   TYR  19           HH       TYR  19  -0.363 -10.150  -0.924
  122    H    VAL  20           H        VAL  20   0.950  -4.140  -1.030
  123    HA   VAL  20           HA       VAL  20  -2.036  -4.361  -0.989
  124    HB   VAL  20           HB       VAL  20  -0.447  -2.968  -3.180
  125   HG11  VAL  20          1HG1      VAL  20  -2.739  -2.309  -3.931
  126   HG12  VAL  20          2HG1      VAL  20  -2.515  -4.069  -3.941
  127   HG13  VAL  20          3HG1      VAL  20  -3.431  -3.306  -2.640
  128   HG21  VAL  20          1HG2      VAL  20  -0.423  -1.508  -1.202
  129   HG22  VAL  20          2HG2      VAL  20  -1.489  -0.876  -2.452
  130   HG23  VAL  20          3HG2      VAL  20  -2.182  -1.691  -1.028
  131    H    GLY  21           H        GLY  21  -2.506  -6.384  -1.579
  132    HA2  GLY  21          1HA       GLY  21  -0.767  -7.829  -3.558
  133    HA3  GLY  21          2HA       GLY  21  -1.756  -8.599  -2.328
  134    H    GLY  22           H        GLY  22  -1.683  -8.884  -5.282
  135    HA2  GLY  22          1HA       GLY  22  -3.416  -9.864  -6.564
  136    HA3  GLY  22          2HA       GLY  22  -4.633  -8.943  -5.680
  137    H    LEU  23           H        LEU  23  -1.692  -7.679  -7.301
  138    HA   LEU  23           HA       LEU  23  -3.264  -5.483  -8.408
  139    HB2  LEU  23          1HB       LEU  23  -0.292  -6.158  -8.445
  140    HB3  LEU  23          2HB       LEU  23  -0.979  -4.679  -9.107
  141    HG   LEU  23           HG       LEU  23  -1.079  -5.522  -6.173
  142   HD11  LEU  23          1HD1      LEU  23   0.441  -3.286  -7.558
  143   HD12  LEU  23          2HD1      LEU  23   1.144  -4.820  -7.018
  144   HD13  LEU  23          3HD1      LEU  23   0.470  -3.688  -5.829
  145   HD21  LEU  23          1HD2      LEU  23  -2.244  -3.148  -7.669
  146   HD22  LEU  23          2HD2      LEU  23  -1.806  -3.034  -5.962
  147   HD23  LEU  23          3HD2      LEU  23  -3.015  -4.217  -6.486
  148    H    ASP  24           H        ASP  24  -3.237  -4.809 -10.564
  149    HA   ASP  24           HA       ASP  24  -3.240  -7.024 -12.502
  150    HB2  ASP  24          1HB       ASP  24  -5.242  -5.613 -12.342
  151    HB3  ASP  24          2HB       ASP  24  -4.281  -4.162 -12.631
  152    H    GLU  25           H        GLU  25  -2.215  -6.759 -14.650
  153    HA   GLU  25           HA       GLU  25   0.508  -6.016 -14.488
  154    HB2  GLU  25          1HB       GLU  25   0.619  -6.539 -16.839
  155    HB3  GLU  25          2HB       GLU  25  -0.367  -7.726 -15.990
  156    HG2  GLU  25          1HG       GLU  25  -2.433  -6.597 -16.823
  157    HG3  GLU  25          2HG       GLU  25  -1.439  -5.416 -17.677
  158    H    LYS  26           H        LYS  26  -2.202  -3.936 -15.262
  159    HA   LYS  26           HA       LYS  26  -0.550  -1.830 -16.489
  160    HB2  LYS  26          1HB       LYS  26  -3.438  -1.889 -15.541
  161    HB3  LYS  26          2HB       LYS  26  -2.684  -0.530 -16.384
  162    HG2  LYS  26          1HG       LYS  26  -2.184  -1.978 -18.326
  163    HG3  LYS  26          2HG       LYS  26  -2.968  -3.345 -17.537
  164    HD2  LYS  26          1HD       LYS  26  -4.300  -0.728 -18.340
  165    HD3  LYS  26          2HD       LYS  26  -4.423  -2.254 -19.209
  166    HE2  LYS  26          1HE       LYS  26  -5.474  -1.691 -16.402
  167    HE3  LYS  26          2HE       LYS  26  -6.436  -1.790 -17.879
  168    HZ1  LYS  26          1HZ       LYS  26  -6.575  -3.885 -16.768
  169    HZ2  LYS  26          2HZ       LYS  26  -4.965  -4.005 -16.562
  170    HZ3  LYS  26          3HZ       LYS  26  -5.622  -4.147 -18.068
  171    H    VAL  27           H        VAL  27  -0.916  -2.786 -13.271
  172    HA   VAL  27           HA       VAL  27  -0.812  -0.123 -12.045
  173    HB   VAL  27           HB       VAL  27  -0.359  -2.871 -10.820
  174   HG11  VAL  27          1HG1      VAL  27  -0.871  -1.726  -8.682
  175   HG12  VAL  27          2HG1      VAL  27   0.625  -1.144  -9.391
  176   HG13  VAL  27          3HG1      VAL  27  -0.847  -0.166  -9.506
  177   HG21  VAL  27          1HG2      VAL  27  -2.834  -1.082 -10.875
  178   HG22  VAL  27          2HG2      VAL  27  -2.654  -2.643 -11.701
  179   HG23  VAL  27          3HG2      VAL  27  -2.674  -2.583  -9.940
  180    H    SER  28           H        SER  28   0.954   1.004 -11.334
  181    HA   SER  28           HA       SER  28   3.541  -0.377 -11.008
  182    HB2  SER  28          1HB       SER  28   3.416   0.494 -13.405
  183    HB3  SER  28          2HB       SER  28   3.449   2.129 -12.712
  184    HG   SER  28           HG       SER  28   5.551   1.234 -13.262
  185    H    GLU  29           H        GLU  29   5.203   1.160 -10.059
  186    HA   GLU  29           HA       GLU  29   4.354   2.166  -7.570
  187    HB2  GLU  29          1HB       GLU  29   6.804   2.535  -9.324
  188    HB3  GLU  29          2HB       GLU  29   6.687   3.477  -7.852
  189    HG2  GLU  29          1HG       GLU  29   6.940   1.709  -6.452
  190    HG3  GLU  29          2HG       GLU  29   6.076   0.601  -7.484
  191    HA   PRO  30           HA       PRO  30   4.270   6.688  -9.055
  192    HB2  PRO  30          1HB       PRO  30   3.823   7.346 -11.668
  193    HB3  PRO  30          2HB       PRO  30   5.449   7.110 -10.958
  194    HG2  PRO  30          1HG       PRO  30   3.790   5.096 -12.492
  195    HG3  PRO  30          2HG       PRO  30   5.509   5.550 -12.758
  196    HD2  PRO  30          1HD       PRO  30   4.847   3.369 -11.342
  197    HD3  PRO  30          2HD       PRO  30   6.205   4.391 -10.814
  198    H    LEU  31           H        LEU  31   2.207   4.241 -10.574
  199    HA   LEU  31           HA       LEU  31  -0.238   5.842 -10.512
  200    HB2  LEU  31          1HB       LEU  31  -0.028   3.765 -11.923
  201    HB3  LEU  31          2HB       LEU  31   0.102   2.813 -10.450
  202    HG   LEU  31           HG       LEU  31  -2.214   3.768  -9.751
  203   HD11  LEU  31          1HD1      LEU  31  -2.179   4.414 -12.724
  204   HD12  LEU  31          2HD1      LEU  31  -2.282   5.601 -11.396
  205   HD13  LEU  31          3HD1      LEU  31  -3.610   4.459 -11.662
  206   HD21  LEU  31          1HD2      LEU  31  -1.916   1.480 -10.442
  207   HD22  LEU  31          2HD2      LEU  31  -1.866   1.952 -12.161
  208   HD23  LEU  31          3HD2      LEU  31  -3.368   2.120 -11.218
  209    H    LEU  32           H        LEU  32   1.180   3.275  -8.426
  210    HA   LEU  32           HA       LEU  32  -0.795   3.334  -6.421
  211    HB2  LEU  32          1HB       LEU  32   2.204   2.815  -6.078
  212    HB3  LEU  32          2HB       LEU  32   0.953   2.448  -4.893
  213    HG   LEU  32           HG       LEU  32   1.392   1.115  -7.569
  214   HD11  LEU  32          1HD1      LEU  32   1.308   0.056  -4.717
  215   HD12  LEU  32          2HD1      LEU  32   2.790   0.364  -5.660
  216   HD13  LEU  32          3HD1      LEU  32   1.645  -0.885  -6.188
  217   HD21  LEU  32          1HD2      LEU  32  -0.935   0.883  -5.627
  218   HD22  LEU  32          2HD2      LEU  32  -0.552  -0.351  -6.844
  219   HD23  LEU  32          3HD2      LEU  32  -0.992   1.286  -7.365
  220    H    TRP  33           H        TRP  33   2.142   5.343  -6.652
  221    HA   TRP  33           HA       TRP  33   1.905   6.660  -4.174
  222    HB2  TRP  33          1HB       TRP  33   3.787   6.666  -5.891
  223    HB3  TRP  33          2HB       TRP  33   2.912   7.890  -6.777
  224    HD1  TRP  33           HD       TRP  33   2.132   9.792  -4.267
  225    HE1  TRP  33          1HE       TRP  33   3.993  11.112  -3.073
  226    HE3  TRP  33          3HE       TRP  33   6.116   6.997  -5.730
  227    HZ2  TRP  33          2HZ       TRP  33   6.885  11.021  -2.885
  228    HZ3  TRP  33          3HZ       TRP  33   8.447   7.636  -5.062
  229    HH2  TRP  33           HH       TRP  33   8.828   9.648  -3.649
  230    H    GLU  34           H        GLU  34   0.868   7.982  -7.334
  231    HA   GLU  34           HA       GLU  34  -0.607  10.161  -6.229
  232    HB2  GLU  34          1HB       GLU  34  -0.822   8.797  -8.950
  233    HB3  GLU  34          2HB       GLU  34  -1.615  10.321  -8.516
  234    HG2  GLU  34          1HG       GLU  34   0.670  11.218  -7.879
  235    HG3  GLU  34          2HG       GLU  34   1.381   9.798  -8.637
  236    H    LEU  35           H        LEU  35  -1.684   6.867  -6.934
  237    HA   LEU  35           HA       LEU  35  -4.502   7.386  -6.583
  238    HB2  LEU  35          1HB       LEU  35  -3.309   5.354  -7.705
  239    HB3  LEU  35          2HB       LEU  35  -3.106   4.743  -6.065
  240    HG   LEU  35           HG       LEU  35  -5.723   5.125  -5.940
  241   HD11  LEU  35          1HD1      LEU  35  -6.880   4.827  -8.056
  242   HD12  LEU  35          2HD1      LEU  35  -5.337   4.897  -8.933
  243   HD13  LEU  35          3HD1      LEU  35  -5.940   6.326  -8.060
  244   HD21  LEU  35          1HD2      LEU  35  -6.119   2.859  -6.776
  245   HD22  LEU  35          2HD2      LEU  35  -4.660   2.927  -5.790
  246   HD23  LEU  35          3HD2      LEU  35  -4.521   2.862  -7.567
  247    H    PHE  36           H        PHE  36  -1.889   6.559  -4.281
  248    HA   PHE  36           HA       PHE  36  -3.797   6.186  -2.064
  249    HB2  PHE  36          1HB       PHE  36  -0.872   5.667  -2.486
  250    HB3  PHE  36          2HB       PHE  36  -1.489   5.804  -0.881
  251    HD1  PHE  36          1HD       PHE  36  -2.224   3.869   0.222
  252    HD2  PHE  36          2HD       PHE  36  -2.350   3.969  -4.076
  253    HE1  PHE  36          1HE       PHE  36  -3.033   1.526   0.189
  254    HE2  PHE  36          2HE       PHE  36  -3.071   1.602  -4.115
  255    HZ   PHE  36           HZ       PHE  36  -3.477   0.394  -1.978
  256    H    LEU  37           H        LEU  37  -2.054   8.850  -3.328
  257    HA   LEU  37           HA       LEU  37  -1.808  10.521  -1.068
  258    HB2  LEU  37          1HB       LEU  37  -2.641  11.056  -3.937
  259    HB3  LEU  37          2HB       LEU  37  -2.468  12.358  -2.762
  260    HG   LEU  37           HG       LEU  37  -0.237  10.543  -3.711
  261   HD11  LEU  37          1HD1      LEU  37  -0.713  13.519  -4.095
  262   HD12  LEU  37          2HD1      LEU  37  -1.006  12.275  -5.326
  263   HD13  LEU  37          3HD1      LEU  37   0.643  12.564  -4.739
  264   HD21  LEU  37          1HD2      LEU  37   1.242  12.076  -2.433
  265   HD22  LEU  37          2HD2      LEU  37   0.174  11.123  -1.396
  266   HD23  LEU  37          3HD2      LEU  37  -0.207  12.829  -1.712
  267    H    GLN  38           H        GLN  38  -4.734   9.310  -2.429
  268    HA   GLN  38           HA       GLN  38  -6.660  11.168  -1.396
  269    HB2  GLN  38          1HB       GLN  38  -6.939   8.146  -1.736
  270    HB3  GLN  38          2HB       GLN  38  -8.258   9.318  -1.599
  271    HG2  GLN  38          1HG       GLN  38  -7.468  10.400  -3.724
  272    HG3  GLN  38          2HG       GLN  38  -6.219   9.144  -3.828
  273   HE21  GLN  38          1HE2      GLN  38  -6.820   6.997  -4.403
  274   HE22  GLN  38          2HE2      GLN  38  -8.438   6.626  -5.016
  275    H    ALA  39           H        ALA  39  -4.928   8.471   0.124
  276    HA   ALA  39           HA       ALA  39  -6.534   8.508   2.572
  277    HB1  ALA  39          1HB       ALA  39  -4.916   6.845   3.340
  278    HB2  ALA  39          2HB       ALA  39  -5.445   6.446   1.687
  279    HB3  ALA  39          3HB       ALA  39  -3.860   7.182   1.960
  280    H    GLY  40           H        GLY  40  -3.239   9.576   1.665
  281    HA2  GLY  40          1HA       GLY  40  -3.147  11.854   3.378
  282    HA3  GLY  40          2HA       GLY  40  -2.378  10.484   4.188
  283    HA   PRO  41           HA       PRO  41   0.686  12.671   1.377
  284    HB2  PRO  41          1HB       PRO  41   2.659  13.146   3.228
  285    HB3  PRO  41          2HB       PRO  41   1.260  14.228   2.958
  286    HG2  PRO  41          1HG       PRO  41   1.540  12.058   5.059
  287    HG3  PRO  41          2HG       PRO  41   1.043  13.761   5.298
  288    HD2  PRO  41          1HD       PRO  41  -0.754  11.736   5.072
  289    HD3  PRO  41          2HD       PRO  41  -1.097  13.315   4.304
  290    H    VAL  42           H        VAL  42   1.385  11.082   0.127
  291    HA   VAL  42           HA       VAL  42   2.801   8.704   1.145
  292    HB   VAL  42           HB       VAL  42   2.140   9.533  -1.698
  293   HG11  VAL  42          1HG1      VAL  42   3.304   6.946  -0.568
  294   HG12  VAL  42          2HG1      VAL  42   2.690   7.141  -2.218
  295   HG13  VAL  42          3HG1      VAL  42   4.098   8.057  -1.706
  296   HG21  VAL  42          1HG2      VAL  42   0.863   7.425   0.093
  297   HG22  VAL  42          2HG2      VAL  42   0.111   8.960  -0.392
  298   HG23  VAL  42          3HG2      VAL  42   0.464   7.739  -1.612
  299    H    VAL  43           H        VAL  43   4.887   8.403   1.123
  300    HA   VAL  43           HA       VAL  43   6.707  10.671   0.443
  301    HB   VAL  43           HB       VAL  43   7.255   8.314   2.283
  302   HG11  VAL  43          1HG1      VAL  43   9.247   9.625   1.675
  303   HG12  VAL  43          2HG1      VAL  43   8.421  11.129   2.164
  304   HG13  VAL  43          3HG1      VAL  43   8.826   9.896   3.372
  305   HG21  VAL  43          1HG2      VAL  43   6.038  10.994   3.064
  306   HG22  VAL  43          2HG2      VAL  43   5.264   9.395   3.167
  307   HG23  VAL  43          3HG2      VAL  43   6.658   9.748   4.180
  308    H    ASN  44           H        ASN  44   6.205   7.213  -0.058
  309    HA   ASN  44           HA       ASN  44   8.117   7.024  -2.252
  310    HB2  ASN  44          1HB       ASN  44   9.676   6.918  -0.406
  311    HB3  ASN  44          2HB       ASN  44   8.646   5.840   0.503
  312   HD21  ASN  44          1HD2      ASN  44   9.693   3.937   0.688
  313   HD22  ASN  44          2HD2      ASN  44  10.464   3.096  -0.669
  314    H    THR  45           H        THR  45   8.036   4.867  -3.266
  315    HA   THR  45           HA       THR  45   5.892   3.004  -2.422
  316    HB   THR  45           HB       THR  45   5.321   2.675  -4.892
  317    HG1  THR  45          1HG       THR  45   5.508   4.609  -6.112
  318   HG21  THR  45          1HG2      THR  45   3.609   4.296  -4.925
  319   HG22  THR  45          2HG2      THR  45   4.452   5.334  -3.737
  320   HG23  THR  45          3HG2      THR  45   3.803   3.748  -3.260
  321    H    HIS  46           H        HIS  46   6.129   0.841  -3.266
  322    HA   HIS  46           HA       HIS  46   8.671   0.232  -4.665
  323    HB2  HIS  46          1HB       HIS  46   8.967   0.083  -2.076
  324    HB3  HIS  46          2HB       HIS  46   7.924  -1.319  -2.174
  325    HD2  HIS  46          2HD       HIS  46  11.468  -0.177  -2.991
  326    HE1  HIS  46          1HE       HIS  46  11.259  -4.266  -4.196
  327    HE2  HIS  46          2HE       HIS  46  12.817  -2.283  -3.829
  328    H    MET  47           H        MET  47   8.398  -1.310  -6.185
  329    HA   MET  47           HA       MET  47   6.208  -3.342  -5.883
  330    HB2  MET  47          1HB       MET  47   6.787  -1.620  -8.298
  331    HB3  MET  47          2HB       MET  47   6.016  -3.190  -8.446
  332    HG2  MET  47          1HG       MET  47   4.876  -1.229  -6.461
  333    HG3  MET  47          2HG       MET  47   4.571  -0.971  -8.165
  334    HE1  MET  47          1HE       MET  47   2.704  -1.942  -9.446
  335    HE2  MET  47          2HE       MET  47   3.913  -3.206  -9.725
  336    HE3  MET  47          3HE       MET  47   2.239  -3.655  -9.307
  337    HA   PRO  48           HA       PRO  48  10.110  -5.626  -6.469
  338    HB2  PRO  48          1HB       PRO  48   8.164  -7.848  -5.812
  339    HB3  PRO  48          2HB       PRO  48   9.866  -7.643  -5.279
  340    HG2  PRO  48          1HG       PRO  48   7.874  -6.984  -3.598
  341    HG3  PRO  48          2HG       PRO  48   9.246  -5.851  -3.794
  342    HD2  PRO  48          1HD       PRO  48   6.521  -5.750  -5.131
  343    HD3  PRO  48          2HD       PRO  48   7.412  -4.432  -4.307
  344    H    LYS  49           H        LYS  49  10.903  -6.548  -8.304
  345    HA   LYS  49           HA       LYS  49   9.002  -7.088 -10.549
  346    HB2  LYS  49          1HB       LYS  49  11.899  -6.217 -10.754
  347    HB3  LYS  49          2HB       LYS  49  10.734  -6.359 -12.060
  348    HG2  LYS  49          1HG       LYS  49  10.764  -4.290  -9.840
  349    HG3  LYS  49          2HG       LYS  49  11.122  -4.046 -11.549
  350    HD2  LYS  49          1HD       LYS  49   8.714  -4.725 -12.056
  351    HD3  LYS  49          2HD       LYS  49   8.406  -4.661 -10.319
  352    HE2  LYS  49          1HE       LYS  49   9.229  -2.373 -12.160
  353    HE3  LYS  49          2HE       LYS  49   7.696  -2.579 -11.312
  354    HZ1  LYS  49          1HZ       LYS  49   9.096  -2.453  -9.205
  355    HZ2  LYS  49          2HZ       LYS  49   8.911  -1.041 -10.008
  356    HZ3  LYS  49          3HZ       LYS  49  10.314  -1.881 -10.129
  357    H    ASP  50           H        ASP  50   9.301  -8.716 -11.963
  358    HA   ASP  50           HA       ASP  50  10.613 -11.159 -11.162
  359    HB2  ASP  50          1HB       ASP  50   8.555 -11.073 -12.538
  360    HB3  ASP  50          2HB       ASP  50   9.440 -10.251 -13.822
  361    H    ARG  51           H        ARG  51  12.413 -12.203 -12.114
  362    HA   ARG  51           HA       ARG  51  14.560 -10.333 -12.803
  363    HB2  ARG  51          1HB       ARG  51  16.075 -12.097 -12.210
  364    HB3  ARG  51          2HB       ARG  51  14.841 -11.902 -10.971
  365    HG2  ARG  51          1HG       ARG  51  13.642 -13.909 -11.812
  366    HG3  ARG  51          2HG       ARG  51  14.795 -14.051 -13.144
  367    HD2  ARG  51          1HD       ARG  51  15.399 -15.638 -11.478
  368    HD3  ARG  51          2HD       ARG  51  16.639 -14.375 -11.514
  369    HE   ARG  51           HE       ARG  51  14.631 -13.777  -9.527
  370   HH11  ARG  51          1HH1      ARG  51  17.361 -15.925  -9.976
  371   HH12  ARG  51          2HH1      ARG  51  17.651 -16.065  -8.263
  372   HH21  ARG  51          1HH2      ARG  51  15.060 -13.992  -7.355
  373   HH22  ARG  51          2HH2      ARG  51  16.374 -14.999  -6.825
  374    H    VAL  52           H        VAL  52  12.536 -11.893 -14.877
  375    HA   VAL  52           HA       VAL  52  14.608 -11.900 -17.045
  376    HB   VAL  52           HB       VAL  52  13.359 -13.866 -18.057
  377   HG11  VAL  52          1HG1      VAL  52  15.647 -14.031 -17.122
  378   HG12  VAL  52          2HG1      VAL  52  14.965 -14.410 -15.525
  379   HG13  VAL  52          3HG1      VAL  52  14.723 -15.525 -16.886
  380   HG21  VAL  52          1HG2      VAL  52  12.261 -15.462 -16.625
  381   HG22  VAL  52          2HG2      VAL  52  12.439 -14.397 -15.215
  382   HG23  VAL  52          3HG2      VAL  52  11.406 -13.915 -16.578
  383    H    THR  53           H        THR  53  11.230 -11.539 -16.130
  384    HA   THR  53           HA       THR  53  10.591 -10.505 -18.836
  385    HB   THR  53           HB       THR  53   8.219 -10.664 -18.142
  386    HG1  THR  53          1HG       THR  53   9.330 -11.945 -15.872
  387   HG21  THR  53          1HG2      THR  53   8.085 -13.144 -18.188
  388   HG22  THR  53          2HG2      THR  53   9.847 -13.237 -17.956
  389   HG23  THR  53          3HG2      THR  53   9.185 -12.492 -19.418
  390    H    GLY  54           H        GLY  54  11.203  -9.498 -15.608
  391    HA2  GLY  54          1HA       GLY  54  11.558  -7.455 -14.743
  392    HA3  GLY  54          2HA       GLY  54  11.336  -6.794 -16.363
  393    H    GLN  55           H        GLN  55   8.492  -8.340 -15.627
  394    HA   GLN  55           HA       GLN  55   7.044  -5.888 -14.880
  395    HB2  GLN  55          1HB       GLN  55   5.033  -7.354 -15.113
  396    HB3  GLN  55          2HB       GLN  55   6.004  -7.172 -16.569
  397    HG2  GLN  55          1HG       GLN  55   6.954  -9.384 -16.320
  398    HG3  GLN  55          2HG       GLN  55   6.219  -9.599 -14.731
  399   HE21  GLN  55          1HE2      GLN  55   5.432  -9.165 -18.235
  400   HE22  GLN  55          2HE2      GLN  55   3.899 -10.015 -18.120
  401    H    HIS  56           H        HIS  56   5.366  -6.026 -13.080
  402    HA   HIS  56           HA       HIS  56   6.795  -6.649 -10.653
  403    HB2  HIS  56          1HB       HIS  56   5.013  -5.655  -9.472
  404    HB3  HIS  56          2HB       HIS  56   5.316  -4.689 -10.907
  405    HD2  HIS  56          2HD       HIS  56   3.224  -4.173 -12.405
  406    HE1  HIS  56          1HE       HIS  56   0.438  -6.856 -10.619
  407    HE2  HIS  56          2HE       HIS  56   0.701  -4.935 -12.249
  408    H    GLN  57           H        GLN  57   6.089  -7.916  -8.877
  409    HA   GLN  57           HA       GLN  57   5.391 -10.611  -9.750
  410    HB2  GLN  57          1HB       GLN  57   6.390  -9.499  -7.108
  411    HB3  GLN  57          2HB       GLN  57   6.121 -11.218  -7.432
  412    HG2  GLN  57          1HG       GLN  57   7.736 -11.142  -9.310
  413    HG3  GLN  57          2HG       GLN  57   8.055  -9.440  -8.980
  414   HE21  GLN  57          1HE2      GLN  57   8.286 -12.732  -7.508
  415   HE22  GLN  57          2HE2      GLN  57   9.605 -12.285  -6.436
  416    H    GLY  58           H        GLY  58   3.171  -8.469  -9.407
  417    HA2  GLY  58          1HA       GLY  58   0.884  -8.834  -9.176
  418    HA3  GLY  58          2HA       GLY  58   1.176 -10.307  -8.257
  419    H    TYR  59           H        TYR  59   3.061  -7.944  -6.838
  420    HA   TYR  59           HA       TYR  59   0.978  -6.734  -5.160
  421    HB2  TYR  59          1HB       TYR  59   1.950  -7.471  -3.080
  422    HB3  TYR  59          2HB       TYR  59   1.457  -8.855  -4.030
  423    HD1  TYR  59          1HD       TYR  59   3.182 -10.297  -5.158
  424    HD2  TYR  59          2HD       TYR  59   4.259  -7.133  -2.429
  425    HE1  TYR  59          1HE       TYR  59   5.451 -11.290  -4.899
  426    HE2  TYR  59          2HE       TYR  59   6.497  -8.170  -2.116
  427    HH   TYR  59           HH       TYR  59   7.918  -9.867  -2.722
  428    H    GLY  60           H        GLY  60   1.733  -5.046  -3.811
  429    HA2  GLY  60          1HA       GLY  60   4.313  -3.719  -4.508
  430    HA3  GLY  60          2HA       GLY  60   2.801  -2.900  -4.843
  431    H    PHE  61           H        PHE  61   4.386  -1.549  -3.300
  432    HA   PHE  61           HA       PHE  61   3.030  -1.542  -0.669
  433    HB2  PHE  61          1HB       PHE  61   6.014  -1.165  -1.080
  434    HB3  PHE  61          2HB       PHE  61   5.165  -1.012   0.437
  435    HD1  PHE  61          1HD       PHE  61   4.498  -2.953   1.738
  436    HD2  PHE  61          2HD       PHE  61   6.438  -3.400  -2.084
  437    HE1  PHE  61          1HE       PHE  61   5.019  -5.327   2.277
  438    HE2  PHE  61          2HE       PHE  61   6.931  -5.776  -1.559
  439    HZ   PHE  61           HZ       PHE  61   6.226  -6.742   0.625
  440    H    VAL  62           H        VAL  62   2.876   0.454   0.343
  441    HA   VAL  62           HA       VAL  62   3.841   2.891  -1.091
  442    HB   VAL  62           HB       VAL  62   1.030   2.658   0.048
  443   HG11  VAL  62          1HG1      VAL  62   1.972   4.928   0.124
  444   HG12  VAL  62          2HG1      VAL  62   2.380   4.817  -1.608
  445   HG13  VAL  62          3HG1      VAL  62   0.692   4.806  -1.065
  446   HG21  VAL  62          1HG2      VAL  62   1.950   2.527  -2.839
  447   HG22  VAL  62          2HG2      VAL  62   1.040   1.296  -1.943
  448   HG23  VAL  62          3HG2      VAL  62   0.276   2.835  -2.333
  449    H    GLU  63           H        GLU  63   4.783   4.338   0.237
  450    HA   GLU  63           HA       GLU  63   4.717   3.813   3.179
  451    HB2  GLU  63          1HB       GLU  63   6.837   3.488   1.927
  452    HB3  GLU  63          2HB       GLU  63   6.793   5.211   1.491
  453    HG2  GLU  63          1HG       GLU  63   6.975   5.873   3.812
  454    HG3  GLU  63          2HG       GLU  63   6.827   4.200   4.354
  455    H    PHE  64           H        PHE  64   3.723   5.225   4.430
  456    HA   PHE  64           HA       PHE  64   3.033   7.934   3.426
  457    HB2  PHE  64          1HB       PHE  64   1.918   6.173   5.629
  458    HB3  PHE  64          2HB       PHE  64   1.493   7.864   5.448
  459    HD1  PHE  64          1HD       PHE  64   1.136   4.509   3.926
  460    HD2  PHE  64          2HD       PHE  64   0.231   8.707   3.562
  461    HE1  PHE  64          1HE       PHE  64  -0.595   3.989   2.216
  462    HE2  PHE  64          2HE       PHE  64  -1.491   8.181   1.840
  463    HZ   PHE  64           HZ       PHE  64  -1.930   5.846   1.202
  464    H    LEU  65           H        LEU  65   3.132   9.745   4.837
  465    HA   LEU  65           HA       LEU  65   5.633  10.119   6.110
  466    HB2  LEU  65          1HB       LEU  65   3.980  11.839   5.116
  467    HB3  LEU  65          2HB       LEU  65   3.097  11.693   6.644
  468    HG   LEU  65           HG       LEU  65   5.279  12.360   7.817
  469   HD11  LEU  65          1HD1      LEU  65   6.007  13.183   4.969
  470   HD12  LEU  65          2HD1      LEU  65   6.852  11.960   5.943
  471   HD13  LEU  65          3HD1      LEU  65   6.886  13.656   6.439
  472   HD21  LEU  65          1HD2      LEU  65   4.924  14.763   7.346
  473   HD22  LEU  65          2HD2      LEU  65   3.382  13.910   7.513
  474   HD23  LEU  65          3HD2      LEU  65   3.981  14.345   5.896
  475    H    SER  66           H        SER  66   2.523   9.130   7.475
  476    HA   SER  66           HA       SER  66   3.833   8.524  10.075
  477    HB2  SER  66          1HB       SER  66   1.162   9.954   9.880
  478    HB3  SER  66          2HB       SER  66   2.063   9.529  11.342
  479    HG   SER  66           HG       SER  66   2.314  11.740  10.761
  480    H    GLU  67           H        GLU  67   2.758   6.977  11.348
  481    HA   GLU  67           HA       GLU  67   1.727   4.749   9.912
  482    HB2  GLU  67          1HB       GLU  67   3.066   4.615  11.883
  483    HB3  GLU  67          2HB       GLU  67   1.872   5.462  12.849
  484    HG2  GLU  67          1HG       GLU  67   1.264   2.799  11.508
  485    HG3  GLU  67          2HG       GLU  67   2.155   2.866  13.021
  486    H    GLU  68           H        GLU  68  -0.024   7.303  11.685
  487    HA   GLU  68           HA       GLU  68  -2.588   5.998  11.560
  488    HB2  GLU  68          1HB       GLU  68  -3.512   8.131  12.214
  489    HB3  GLU  68          2HB       GLU  68  -2.083   7.756  13.173
  490    HG2  GLU  68          1HG       GLU  68  -0.734   9.300  11.719
  491    HG3  GLU  68          2HG       GLU  68  -2.204   9.710  10.832
  492    H    ASP  69           H        ASP  69  -0.804   7.831   9.160
  493    HA   ASP  69           HA       ASP  69  -3.114   8.211   7.374
  494    HB2  ASP  69          1HB       ASP  69  -0.120   8.592   7.019
  495    HB3  ASP  69          2HB       ASP  69  -1.288   8.870   5.744
  496    H    ALA  70           H        ALA  70  -0.515   5.805   7.853
  497    HA   ALA  70           HA       ALA  70  -1.160   4.279   5.459
  498    HB1  ALA  70          1HB       ALA  70   1.040   4.167   6.567
  499    HB2  ALA  70          2HB       ALA  70   0.295   3.539   8.051
  500    HB3  ALA  70          3HB       ALA  70   0.279   2.565   6.579
  501    H    ASP  71           H        ASP  71  -2.072   4.030   8.928
  502    HA   ASP  71           HA       ASP  71  -3.715   1.739   8.723
  503    HB2  ASP  71          1HB       ASP  71  -2.782   3.076  10.767
  504    HB3  ASP  71          2HB       ASP  71  -4.289   3.982  10.658
  505    H    TYR  72           H        TYR  72  -4.446   5.075   7.887
  506    HA   TYR  72           HA       TYR  72  -7.316   4.618   7.495
  507    HB2  TYR  72          1HB       TYR  72  -6.320   6.819   8.160
  508    HB3  TYR  72          2HB       TYR  72  -5.548   6.909   6.574
  509    HD1  TYR  72          1HD       TYR  72  -8.911   6.531   8.233
  510    HD2  TYR  72          2HD       TYR  72  -6.738   7.839   4.752
  511    HE1  TYR  72          1HE       TYR  72 -11.017   7.447   7.266
  512    HE2  TYR  72          2HE       TYR  72  -8.848   8.762   3.779
  513    HH   TYR  72           HH       TYR  72 -11.986   8.533   5.495
  514    H    ALA  73           H        ALA  73  -4.389   4.584   5.409
  515    HA   ALA  73           HA       ALA  73  -5.836   4.509   2.916
  516    HB1  ALA  73          1HB       ALA  73  -3.077   3.378   3.566
  517    HB2  ALA  73          2HB       ALA  73  -3.714   3.848   1.972
  518    HB3  ALA  73          3HB       ALA  73  -3.405   5.084   3.211
  519    H    ILE  74           H        ILE  74  -4.733   2.012   5.170
  520    HA   ILE  74           HA       ILE  74  -5.614  -0.315   3.766
  521    HB   ILE  74           HB       ILE  74  -5.325   0.318   6.728
  522   HG12  ILE  74          1HG1      ILE  74  -3.474  -1.331   4.964
  523   HG13  ILE  74          2HG1      ILE  74  -3.303   0.425   5.110
  524   HG21  ILE  74          1HG2      ILE  74  -5.742  -2.383   5.380
  525   HG22  ILE  74          2HG2      ILE  74  -5.230  -2.174   7.068
  526   HG23  ILE  74          3HG2      ILE  74  -6.813  -1.610   6.563
  527   HD11  ILE  74          1HD1      ILE  74  -3.140  -1.498   7.446
  528   HD12  ILE  74          2HD1      ILE  74  -1.781  -0.738   6.596
  529   HD13  ILE  74          3HD1      ILE  74  -2.933   0.270   7.467
  530    H    LYS  75           H        LYS  75  -7.382   1.903   5.946
  531    HA   LYS  75           HA       LYS  75  -9.822   0.415   6.062
  532    HB2  LYS  75          1HB       LYS  75  -9.208   2.170   7.656
  533    HB3  LYS  75          2HB       LYS  75  -9.306   3.404   6.395
  534    HG2  LYS  75          1HG       LYS  75 -11.685   3.067   6.127
  535    HG3  LYS  75          2HG       LYS  75 -11.647   1.684   7.241
  536    HD2  LYS  75          1HD       LYS  75 -10.963   3.212   9.091
  537    HD3  LYS  75          2HD       LYS  75 -10.913   4.562   7.954
  538    HE2  LYS  75          1HE       LYS  75 -12.960   4.745   9.165
  539    HE3  LYS  75          2HE       LYS  75 -13.353   4.274   7.510
  540    HZ1  LYS  75          1HZ       LYS  75 -13.239   2.414   9.832
  541    HZ2  LYS  75          2HZ       LYS  75 -13.642   1.983   8.305
  542    HZ3  LYS  75          3HZ       LYS  75 -14.607   2.984   9.154
  543    H    ILE  76           H        ILE  76  -8.742   2.876   3.698
  544    HA   ILE  76           HA       ILE  76 -11.327   2.636   2.296
  545    HB   ILE  76           HB       ILE  76 -10.619   4.508   0.960
  546   HG12  ILE  76          1HG1      ILE  76  -8.085   4.665   2.624
  547   HG13  ILE  76          2HG1      ILE  76  -8.159   4.093   0.968
  548   HG21  ILE  76          1HG2      ILE  76 -11.789   4.753   3.174
  549   HG22  ILE  76          2HG2      ILE  76 -10.210   5.046   3.937
  550   HG23  ILE  76          3HG2      ILE  76 -10.842   6.170   2.720
  551   HD11  ILE  76          1HD1      ILE  76  -8.751   6.885   1.968
  552   HD12  ILE  76          2HD1      ILE  76  -7.491   6.360   0.837
  553   HD13  ILE  76          3HD1      ILE  76  -9.182   6.333   0.327
  554    H    MET  77           H        MET  77  -8.010   1.535   1.633
  555    HA   MET  77           HA       MET  77  -8.753   0.941  -1.162
  556    HB2  MET  77          1HB       MET  77  -6.129   0.914   0.278
  557    HB3  MET  77          2HB       MET  77  -6.291   0.415  -1.396
  558    HG2  MET  77          1HG       MET  77  -7.416   3.091  -0.692
  559    HG3  MET  77          2HG       MET  77  -5.671   2.902  -0.700
  560    HE1  MET  77          1HE       MET  77  -6.699   5.078  -2.636
  561    HE2  MET  77          2HE       MET  77  -5.083   4.427  -2.274
  562    HE3  MET  77          3HE       MET  77  -5.609   4.573  -3.950
  563    H    ASP  78           H        ASP  78  -9.204  -0.802   1.511
  564    HA   ASP  78           HA       ASP  78  -8.253  -3.387   0.444
  565    HB2  ASP  78          1HB       ASP  78  -8.022  -2.922   2.859
  566    HB3  ASP  78          2HB       ASP  78  -9.785  -2.836   3.004
  567    H    MET  79           H        MET  79  -9.512  -5.024  -0.337
  568    HA   MET  79           HA       MET  79 -11.088  -5.929  -1.603
  569    HB2  MET  79          1HB       MET  79 -12.197  -5.848   0.716
  570    HB3  MET  79          2HB       MET  79 -13.273  -4.632   0.023
  571    HG2  MET  79          1HG       MET  79 -13.990  -6.239  -1.701
  572    HG3  MET  79          2HG       MET  79 -12.825  -7.423  -1.117
  573    HE1  MET  79          1HE       MET  79 -13.069  -8.881   0.982
  574    HE2  MET  79          2HE       MET  79 -13.090  -7.457   2.049
  575    HE3  MET  79          3HE       MET  79 -14.343  -8.702   2.208
  576    H    ILE  80           H        ILE  80 -10.266  -3.007  -2.138
  577    HA   ILE  80           HA       ILE  80 -12.260  -2.065  -4.052
  578    HB   ILE  80           HB       ILE  80  -9.612  -1.227  -3.002
  579   HG12  ILE  80          1HG1      ILE  80 -12.239   0.103  -3.684
  580   HG13  ILE  80          2HG1      ILE  80 -11.518  -0.192  -2.103
  581   HG21  ILE  80          1HG2      ILE  80  -8.954   0.270  -4.673
  582   HG22  ILE  80          2HG2      ILE  80  -8.978  -1.338  -5.348
  583   HG23  ILE  80          3HG2      ILE  80 -10.307  -0.205  -5.748
  584   HD11  ILE  80          1HD1      ILE  80  -9.686   1.500  -2.805
  585   HD12  ILE  80          2HD1      ILE  80 -10.732   1.889  -4.177
  586   HD13  ILE  80          3HD1      ILE  80 -11.317   2.147  -2.528
  587    H    LYS  81           H        LYS  81 -11.873  -1.946  -6.359
  588    HA   LYS  81           HA       LYS  81 -10.378  -4.285  -7.475
  589    HB2  LYS  81          1HB       LYS  81 -13.046  -3.079  -8.272
  590    HB3  LYS  81          2HB       LYS  81 -12.174  -4.321  -9.184
  591    HG2  LYS  81          1HG       LYS  81 -12.269  -5.808  -7.140
  592    HG3  LYS  81          2HG       LYS  81 -13.279  -4.590  -6.356
  593    HD2  LYS  81          1HD       LYS  81 -14.768  -6.232  -7.190
  594    HD3  LYS  81          2HD       LYS  81 -14.913  -4.847  -8.282
  595    HE2  LYS  81          1HE       LYS  81 -13.288  -5.991  -9.840
  596    HE3  LYS  81          2HE       LYS  81 -13.304  -7.392  -8.764
  597    HZ1  LYS  81          1HZ       LYS  81 -15.698  -7.606  -9.176
  598    HZ2  LYS  81          2HZ       LYS  81 -14.885  -7.667 -10.590
  599    HZ3  LYS  81          3HZ       LYS  81 -15.690  -6.311 -10.172
  600    H    LEU  82           H        LEU  82  -8.601  -2.669  -7.511
  601    HA   LEU  82           HA       LEU  82  -8.523  -0.482  -9.356
  602    HB2  LEU  82          1HB       LEU  82  -6.885  -0.883  -7.545
  603    HB3  LEU  82          2HB       LEU  82  -6.318  -2.338  -8.359
  604    HG   LEU  82           HG       LEU  82  -5.403  -1.012 -10.202
  605   HD11  LEU  82          1HD1      LEU  82  -6.529   1.396  -8.706
  606   HD12  LEU  82          2HD1      LEU  82  -6.955   0.869 -10.350
  607   HD13  LEU  82          3HD1      LEU  82  -5.342   1.493 -10.022
  608   HD21  LEU  82          1HD2      LEU  82  -4.661   0.142  -7.475
  609   HD22  LEU  82          2HD2      LEU  82  -3.652   0.182  -8.933
  610   HD23  LEU  82          3HD2      LEU  82  -4.035  -1.369  -8.165
  611    H    TYR  83           H        TYR  83  -8.301  -0.416 -11.615
  612    HA   TYR  83           HA       TYR  83  -8.938  -1.246 -13.636
  613    HB2  TYR  83          1HB       TYR  83  -6.521  -2.995 -13.117
  614    HB3  TYR  83          2HB       TYR  83  -7.230  -2.696 -14.693
  615    HD1  TYR  83          1HD       TYR  83  -7.592  -0.092 -15.298
  616    HD2  TYR  83          2HD       TYR  83  -4.629  -1.712 -12.615
  617    HE1  TYR  83          1HE       TYR  83  -6.111   1.861 -15.749
  618    HE2  TYR  83          2HE       TYR  83  -3.147   0.228 -13.082
  619    HH   TYR  83           HH       TYR  83  -2.860   2.167 -14.286
  620    H    GLY  84           H        GLY  84 -10.484  -2.716 -11.520
  621    HA2  GLY  84          1HA       GLY  84 -12.216  -4.219 -11.700
  622    HA3  GLY  84          2HA       GLY  84 -11.688  -4.649 -13.323
  623    H    LYS  85           H        LYS  85  -9.495  -5.008 -10.581
  624    HA   LYS  85           HA       LYS  85  -9.825  -7.934 -10.439
  625    HB2  LYS  85          1HB       LYS  85  -7.950  -7.395 -11.962
  626    HB3  LYS  85          2HB       LYS  85  -7.200  -6.410 -10.698
  627    HG2  LYS  85          1HG       LYS  85  -7.041  -8.448  -9.244
  628    HG3  LYS  85          2HG       LYS  85  -7.756  -9.411 -10.550
  629    HD2  LYS  85          1HD       LYS  85  -5.846  -8.842 -12.024
  630    HD3  LYS  85          2HD       LYS  85  -5.153  -7.831 -10.737
  631    HE2  LYS  85          1HE       LYS  85  -5.006  -9.815  -9.254
  632    HE3  LYS  85          2HE       LYS  85  -5.684 -10.829 -10.534
  633    HZ1  LYS  85          1HZ       LYS  85  -3.733 -10.295 -11.898
  634    HZ2  LYS  85          2HZ       LYS  85  -3.256 -10.960 -10.488
  635    HZ3  LYS  85          3HZ       LYS  85  -3.107  -9.345 -10.715
  636    HA   PRO  86           HA       PRO  86 -10.230  -6.252  -6.328
  637    HB2  PRO  86          1HB       PRO  86 -10.676  -8.574  -4.887
  638    HB3  PRO  86          2HB       PRO  86 -11.891  -7.728  -5.891
  639    HG2  PRO  86          1HG       PRO  86 -10.169 -10.100  -6.629
  640    HG3  PRO  86          2HG       PRO  86 -11.919  -9.856  -6.935
  641    HD2  PRO  86          1HD       PRO  86 -10.053  -9.411  -8.850
  642    HD3  PRO  86          2HD       PRO  86 -11.468  -8.311  -8.714
  643    H    ILE  87           H        ILE  87  -8.845  -5.537  -4.898
  644    HA   ILE  87           HA       ILE  87  -6.282  -6.978  -4.434
  645    HB   ILE  87           HB       ILE  87  -5.347  -4.825  -3.734
  646   HG12  ILE  87          1HG1      ILE  87  -7.791  -3.448  -4.881
  647   HG13  ILE  87          2HG1      ILE  87  -7.634  -3.752  -3.146
  648   HG21  ILE  87          1HG2      ILE  87  -6.569  -4.868  -6.533
  649   HG22  ILE  87          2HG2      ILE  87  -5.185  -3.891  -6.029
  650   HG23  ILE  87          3HG2      ILE  87  -5.065  -5.653  -6.013
  651   HD11  ILE  87          1HD1      ILE  87  -5.562  -2.416  -3.091
  652   HD12  ILE  87          2HD1      ILE  87  -5.704  -2.095  -4.836
  653   HD13  ILE  87          3HD1      ILE  87  -6.925  -1.478  -3.720
  654    H    ARG  88           H        ARG  88  -5.271  -6.805  -2.354
  655    HA   ARG  88           HA       ARG  88  -7.077  -6.328  -0.027
  656    HB2  ARG  88          1HB       ARG  88  -5.169  -8.681  -0.335
  657    HB3  ARG  88          2HB       ARG  88  -5.946  -8.219   1.178
  658    HG2  ARG  88          1HG       ARG  88  -7.411  -9.109  -1.344
  659    HG3  ARG  88          2HG       ARG  88  -7.084 -10.107   0.072
  660    HD2  ARG  88          1HD       ARG  88  -8.437  -8.607   1.488
  661    HD3  ARG  88          2HD       ARG  88  -8.792  -7.573   0.109
  662    HE   ARG  88           HE       ARG  88  -9.944 -10.198   0.714
  663   HH11  ARG  88          1HH1      ARG  88  -9.542  -7.817  -1.852
  664   HH12  ARG  88          2HH1      ARG  88 -10.886  -8.474  -2.754
  665   HH21  ARG  88          1HH2      ARG  88 -11.615 -10.962  -0.513
  666   HH22  ARG  88          2HH2      ARG  88 -12.027 -10.196  -2.015
  667    H    VAL  89           H        VAL  89  -6.231  -5.282   1.660
  668    HA   VAL  89           HA       VAL  89  -3.428  -4.291   1.385
  669    HB   VAL  89           HB       VAL  89  -5.852  -2.537   1.914
  670   HG11  VAL  89          1HG1      VAL  89  -4.309  -0.668   1.554
  671   HG12  VAL  89          2HG1      VAL  89  -3.726  -1.671   2.878
  672   HG13  VAL  89          3HG1      VAL  89  -2.960  -1.792   1.290
  673   HG21  VAL  89          1HG2      VAL  89  -5.922  -3.239  -0.427
  674   HG22  VAL  89          2HG2      VAL  89  -5.317  -1.585  -0.359
  675   HG23  VAL  89          3HG2      VAL  89  -4.183  -2.926  -0.597
  676    H    ASN  90           H        ASN  90  -2.286  -3.973   3.207
  677    HA   ASN  90           HA       ASN  90  -3.469  -3.777   5.868
  678    HB2  ASN  90          1HB       ASN  90  -2.311  -5.843   6.740
  679    HB3  ASN  90          2HB       ASN  90  -3.653  -6.164   5.664
  680   HD21  ASN  90          1HD2      ASN  90  -0.024  -6.105   5.776
  681   HD22  ASN  90          2HD2      ASN  90   0.096  -7.268   4.468
  682    H    LYS  91           H        LYS  91  -1.601  -3.773   7.589
  683    HA   LYS  91           HA       LYS  91   0.482  -1.902   6.852
  684    HB2  LYS  91          1HB       LYS  91   0.541  -3.826   9.211
  685    HB3  LYS  91          2HB       LYS  91   1.423  -2.320   9.059
  686    HG2  LYS  91          1HG       LYS  91  -1.610  -2.528   9.287
  687    HG3  LYS  91          2HG       LYS  91  -0.532  -2.329  10.647
  688    HD2  LYS  91          1HD       LYS  91  -0.144  -0.284   8.514
  689    HD3  LYS  91          2HD       LYS  91  -1.747  -0.286   9.250
  690    HE2  LYS  91          1HE       LYS  91   0.783  -0.131  10.898
  691    HE3  LYS  91          2HE       LYS  91  -0.088   1.272  10.280
  692    HZ1  LYS  91          1HZ       LYS  91  -0.918   0.895  12.432
  693    HZ2  LYS  91          2HZ       LYS  91  -1.159  -0.717  12.198
  694    HZ3  LYS  91          3HZ       LYS  91  -2.112   0.389  11.449
  695    H    ALA  92           H        ALA  92   2.659  -2.257   6.279
  696    HA   ALA  92           HA       ALA  92   3.258  -4.722   4.934
  697    HB1  ALA  92          1HB       ALA  92   5.068  -2.417   5.745
  698    HB2  ALA  92          2HB       ALA  92   5.452  -3.666   4.542
  699    HB3  ALA  92          3HB       ALA  92   4.123  -2.529   4.240
  700    H    SER  93           H        SER  93   3.756  -3.763   8.234
  701    HA   SER  93           HA       SER  93   5.099  -6.366   8.833
  702    HB2  SER  93          1HB       SER  93   5.497  -3.702  10.230
  703    HB3  SER  93          2HB       SER  93   6.147  -5.257  10.787
  704    HG   SER  93           HG       SER  93   7.325  -5.423   8.863
  705    H    ALA  94           H        ALA  94   2.385  -6.377   8.596
  706    HA   ALA  94           HA       ALA  94   0.964  -5.817  11.024
  707    HB1  ALA  94          1HB       ALA  94  -0.120  -5.976   8.813
  708    HB2  ALA  94          2HB       ALA  94   0.289  -7.704   8.732
  709    HB3  ALA  94          3HB       ALA  94  -0.840  -7.107   9.967
  710    H    HIS  95           H        HIS  95  -0.079  -7.286  12.441
  711    HA   HIS  95           HA       HIS  95   1.060 -10.006  12.840
  712    HB2  HIS  95          1HB       HIS  95   0.864  -7.850  14.988
  713    HB3  HIS  95          2HB       HIS  95   1.200  -9.549  15.294
  714    HD2  HIS  95          2HD       HIS  95   2.817  -6.444  13.649
  715    HE1  HIS  95          1HE       HIS  95   5.959  -9.216  14.460
  716    HE2  HIS  95          2HE       HIS  95   5.421  -6.858  13.652
  717    H    ASN  96           H        ASN  96  -0.277 -11.363  14.197
  718    HA   ASN  96           HA       ASN  96  -3.168 -10.827  14.018
  719    HB2  ASN  96          1HB       ASN  96  -1.551 -13.156  15.138
  720    HB3  ASN  96          2HB       ASN  96  -3.310 -13.087  15.138
  721   HD21  ASN  96          1HD2      ASN  96  -2.087 -15.208  13.915
  722   HD22  ASN  96          2HD2      ASN  96  -2.306 -15.059  12.177
  723    H    LYS  97           H        LYS  97  -4.583 -10.552  15.770
  724    HA   LYS  97           HA       LYS  97  -3.489  -9.106  18.051
  725    HB2  LYS  97          1HB       LYS  97  -5.574  -8.434  16.907
  726    HB3  LYS  97          2HB       LYS  97  -6.355  -9.932  17.437
  727    HG2  LYS  97          1HG       LYS  97  -6.007  -9.251  19.813
  728    HG3  LYS  97          2HG       LYS  97  -5.237  -7.751  19.265
  729    HD2  LYS  97          1HD       LYS  97  -7.350  -7.069  18.162
  730    HD3  LYS  97          2HD       LYS  97  -8.109  -8.598  18.663
  731    HE2  LYS  97          1HE       LYS  97  -7.688  -8.001  21.049
  732    HE3  LYS  97          2HE       LYS  97  -6.993  -6.458  20.537
  733    HZ1  LYS  97          1HZ       LYS  97  -9.157  -5.863  19.607
  734    HZ2  LYS  97          2HZ       LYS  97  -9.337  -6.262  21.184
  735    HZ3  LYS  97          3HZ       LYS  97  -9.794  -7.311  20.022
  736    H    ASN  98           H        ASN  98  -2.668 -10.024  19.776
  737    HA   ASN  98           HA       ASN  98  -3.580 -12.670  20.765
  738    HB2  ASN  98          1HB       ASN  98  -1.164 -12.155  20.515
  739    HB3  ASN  98          2HB       ASN  98  -1.326 -10.822  21.662
  740   HD21  ASN  98          1HD2      ASN  98  -1.732 -14.392  21.364
  741   HD22  ASN  98          2HD2      ASN  98  -1.367 -14.694  23.056
  742    H    LEU  99           H        LEU  99  -4.051  -9.296  21.495
  743    HA   LEU  99           HA       LEU  99  -4.791  -9.533  24.253
  744    HB2  LEU  99          1HB       LEU  99  -3.944  -7.483  23.138
  745    HB3  LEU  99          2HB       LEU  99  -5.410  -7.405  22.167
  746    HG   LEU  99           HG       LEU  99  -6.750  -7.008  24.232
  747   HD11  LEU  99          1HD1      LEU  99  -5.575  -6.413  26.335
  748   HD12  LEU  99          2HD1      LEU  99  -4.031  -6.927  25.620
  749   HD13  LEU  99          3HD1      LEU  99  -5.318  -8.112  25.930
  750   HD21  LEU  99          1HD2      LEU  99  -5.949  -4.728  24.637
  751   HD22  LEU  99          2HD2      LEU  99  -5.875  -5.122  22.912
  752   HD23  LEU  99          3HD2      LEU  99  -4.386  -5.124  23.885
  753    H    SER 100           H        SER 100  -6.824  -9.451  25.236
  754    HA   SER 100           HA       SER 100  -8.931 -10.996  24.119
  755    HB2  SER 100          1HB       SER 100  -8.981  -9.134  26.527
  756    HB3  SER 100          2HB       SER 100 -10.103 -10.469  26.201
  757    HG   SER 100           HG       SER 100  -8.437 -11.086  27.653
  758    H    GLY 101           H        GLY 101 -11.234 -10.361  24.119
  759    HA2  GLY 101          1HA       GLY 101 -11.874  -7.955  22.569
  760    HA3  GLY 101          2HA       GLY 101 -12.982  -9.186  23.170
  761    HA   PRO 102           HA       PRO 102 -13.508  -5.259  25.708
  762    HB2  PRO 102          1HB       PRO 102 -16.241  -5.065  25.524
  763    HB3  PRO 102          2HB       PRO 102 -15.116  -4.408  24.296
  764    HG2  PRO 102          1HG       PRO 102 -16.563  -7.078  24.254
  765    HG3  PRO 102          2HG       PRO 102 -16.474  -5.848  22.950
  766    HD2  PRO 102          1HD       PRO 102 -14.826  -7.997  22.978
  767    HD3  PRO 102          2HD       PRO 102 -14.217  -6.394  22.469
  768    H    SER 103           H        SER 103 -14.307  -5.075  27.837
  769    HA   SER 103           HA       SER 103 -14.396  -7.585  29.291
  770    HB2  SER 103          1HB       SER 103 -14.344  -6.133  31.271
  771    HB3  SER 103          2HB       SER 103 -13.112  -5.667  30.084
  772    HG   SER 103           HG       SER 103 -14.240  -3.838  30.874
  773    H    SER 104           H        SER 104 -16.863  -5.422  28.167
  774    HA   SER 104           HA       SER 104 -19.063  -5.119  28.563
  775    HB2  SER 104          1HB       SER 104 -19.061  -8.071  29.245
  776    HB3  SER 104          2HB       SER 104 -20.478  -7.091  28.824
  777    HG   SER 104           HG       SER 104 -19.629  -8.234  27.015
  778    H    GLY 105           H        GLY 105 -17.312  -4.560  30.826
  779    HA2  GLY 105          1HA       GLY 105 -18.564  -5.206  33.341
  780    HA3  GLY 105          2HA       GLY 105 -17.395  -3.920  33.047
  Start of MODEL    8
    1    H1   GLY   1          1H        GLY   1 -11.065  -8.602  18.876
    2    H2   GLY   1          2H        GLY   1 -11.876  -7.388  18.128
    3    H3   GLY   1          3H        GLY   1 -10.762  -7.044  19.280
    4    HA2  GLY   1          1HA       GLY   1 -10.199  -8.259  16.651
    5    HA3  GLY   1          2HA       GLY   1  -9.852  -6.581  17.104
    6    H    SER   2           H        SER   2  -7.615  -6.889  16.662
    7    HA   SER   2           HA       SER   2  -5.953  -8.893  17.787
    8    HB2  SER   2          1HB       SER   2  -5.257  -6.058  16.928
    9    HB3  SER   2          2HB       SER   2  -4.100  -7.383  17.163
   10    HG   SER   2           HG       SER   2  -4.943  -6.946  14.939
   11    H    SER   3           H        SER   3  -4.748  -9.063  19.639
   12    HA   SER   3           HA       SER   3  -5.516  -7.606  21.973
   13    HB2  SER   3          1HB       SER   3  -3.095  -9.399  21.571
   14    HB3  SER   3          2HB       SER   3  -3.841  -8.949  23.117
   15    HG   SER   3           HG       SER   3  -4.549 -11.010  22.394
   16    H    GLY   4           H        GLY   4  -2.848  -7.108  19.730
   17    HA2  GLY   4          1HA       GLY   4  -2.262  -4.506  20.133
   18    HA3  GLY   4          2HA       GLY   4  -1.380  -5.244  21.469
   19    H    SER   5           H        SER   5   0.290  -4.025  20.078
   20    HA   SER   5           HA       SER   5   1.923  -6.054  18.737
   21    HB2  SER   5          1HB       SER   5   0.599  -5.041  16.878
   22    HB3  SER   5          2HB       SER   5   1.267  -3.455  17.304
   23    HG   SER   5           HG       SER   5   2.444  -4.451  15.634
   24    H    SER   6           H        SER   6   4.038  -5.758  19.384
   25    HA   SER   6           HA       SER   6   4.858  -3.104  20.506
   26    HB2  SER   6          1HB       SER   6   5.978  -4.246  22.331
   27    HB3  SER   6          2HB       SER   6   4.246  -4.608  22.315
   28    HG   SER   6           HG       SER   6   5.572  -6.475  22.655
   29    H    GLY   7           H        GLY   7   7.024  -2.554  20.524
   30    HA2  GLY   7          1HA       GLY   7   9.239  -2.501  19.839
   31    HA3  GLY   7          2HA       GLY   7   9.101  -4.156  19.285
   32    HA   PRO   8           HA       PRO   8   7.864  -1.060  15.641
   33    HB2  PRO   8          1HB       PRO   8   9.977   0.962  16.384
   34    HB3  PRO   8          2HB       PRO   8   8.420   1.216  15.534
   35    HG2  PRO   8          1HG       PRO   8   8.639   1.848  18.155
   36    HG3  PRO   8          2HG       PRO   8   7.186   0.966  17.576
   37    HD2  PRO   8          1HD       PRO   8   9.659  -0.169  18.922
   38    HD3  PRO   8          2HD       PRO   8   7.934  -0.492  19.276
   39    H    ILE   9           H        ILE   9   8.957  -1.126  13.625
   40    HA   ILE   9           HA       ILE   9  11.002  -3.130  13.626
   41    HB   ILE   9           HB       ILE   9   9.038  -2.817  12.031
   42   HG12  ILE   9          1HG1      ILE   9  11.766  -3.528  10.883
   43   HG13  ILE   9          2HG1      ILE   9  10.738  -4.576  11.862
   44   HG21  ILE   9          1HG2      ILE   9   9.592  -0.444  11.411
   45   HG22  ILE   9          2HG2      ILE   9  10.994  -1.042  10.504
   46   HG23  ILE   9          3HG2      ILE   9   9.356  -1.502  10.024
   47   HD11  ILE   9          1HD1      ILE   9  10.477  -5.189   9.559
   48   HD12  ILE   9          2HD1      ILE   9   8.970  -4.398  10.068
   49   HD13  ILE   9          3HD1      ILE   9  10.170  -3.514   9.085
   50    H    SER  10           H        SER  10  13.064  -3.184  12.673
   51    HA   SER  10           HA       SER  10  14.617  -0.665  12.766
   52    HB2  SER  10          1HB       SER  10  16.557  -2.205  12.892
   53    HB3  SER  10          2HB       SER  10  15.381  -2.438  14.194
   54    HG   SER  10           HG       SER  10  16.061  -4.433  13.259
   55    H    GLU  11           H        GLU  11  13.062  -2.296  10.325
   56    HA   GLU  11           HA       GLU  11  15.121  -1.594   8.267
   57    HB2  GLU  11          1HB       GLU  11  13.281  -4.015   8.316
   58    HB3  GLU  11          2HB       GLU  11  14.273  -3.508   6.943
   59    HG2  GLU  11          1HG       GLU  11  16.320  -3.731   8.377
   60    HG3  GLU  11          2HG       GLU  11  15.311  -4.369   9.677
   61    H    ARG  12           H        ARG  12  14.499  -0.420   6.599
   62    HA   ARG  12           HA       ARG  12  13.335   1.263   5.587
   63    HB2  ARG  12          1HB       ARG  12  11.144  -0.813   5.232
   64    HB3  ARG  12          2HB       ARG  12  11.467   0.619   4.241
   65    HG2  ARG  12          1HG       ARG  12  13.818  -0.502   3.855
   66    HG3  ARG  12          2HG       ARG  12  13.000  -1.979   4.379
   67    HD2  ARG  12          1HD       ARG  12  12.304  -0.184   2.019
   68    HD3  ARG  12          2HD       ARG  12  12.971  -1.821   1.961
   69    HE   ARG  12           HE       ARG  12  10.402  -1.766   3.331
   70   HH11  ARG  12          1HH1      ARG  12  11.749  -1.775   0.095
   71   HH12  ARG  12          2HH1      ARG  12  10.275  -2.380  -0.614
   72   HH21  ARG  12          1HH2      ARG  12   8.607  -2.449   2.420
   73   HH22  ARG  12          2HH2      ARG  12   8.510  -2.808   0.701
   74    H    ASN  13           H        ASN  13  10.222   1.167   5.698
   75    HA   ASN  13           HA       ASN  13   9.783   2.323   8.411
   76    HB2  ASN  13          1HB       ASN  13   9.036   3.564   5.721
   77    HB3  ASN  13          2HB       ASN  13   8.403   4.115   7.269
   78   HD21  ASN  13          1HD2      ASN  13   9.820   5.192   8.777
   79   HD22  ASN  13          2HD2      ASN  13  11.369   5.811   8.227
   80    H    GLN  14           H        GLN  14   9.211  -0.320   7.724
   81    HA   GLN  14           HA       GLN  14   6.821  -0.812   6.382
   82    HB2  GLN  14          1HB       GLN  14   7.990  -2.475   8.618
   83    HB3  GLN  14          2HB       GLN  14   6.836  -3.026   7.430
   84    HG2  GLN  14          1HG       GLN  14   9.643  -2.079   6.714
   85    HG3  GLN  14          2HG       GLN  14   9.202  -3.748   7.035
   86   HE21  GLN  14          1HE2      GLN  14   7.441  -4.735   5.604
   87   HE22  GLN  14          2HE2      GLN  14   7.547  -4.263   3.920
   88    H    ASP  15           H        ASP  15   7.061   0.312   9.710
   89    HA   ASP  15           HA       ASP  15   4.342  -0.429  10.467
   90    HB2  ASP  15          1HB       ASP  15   6.336   1.526  11.669
   91    HB3  ASP  15          2HB       ASP  15   4.774   1.126  12.385
   92    H    ALA  16           H        ALA  16   5.622   2.194   8.591
   93    HA   ALA  16           HA       ALA  16   2.940   3.503   8.543
   94    HB1  ALA  16          1HB       ALA  16   4.626   4.951   9.626
   95    HB2  ALA  16          2HB       ALA  16   5.658   4.825   8.181
   96    HB3  ALA  16          3HB       ALA  16   4.073   5.621   8.080
   97    H    THR  17           H        THR  17   4.484   1.291   6.951
   98    HA   THR  17           HA       THR  17   3.809   2.323   4.229
   99    HB   THR  17           HB       THR  17   5.622  -0.004   4.918
  100    HG1  THR  17          1HG       THR  17   6.534   1.985   5.474
  101   HG21  THR  17          1HG2      THR  17   6.367   0.110   2.587
  102   HG22  THR  17          2HG2      THR  17   5.239   1.425   2.257
  103   HG23  THR  17          3HG2      THR  17   4.624  -0.197   2.658
  104    H    VAL  18           H        VAL  18   2.222   1.281   3.121
  105    HA   VAL  18           HA       VAL  18   0.917  -1.070   4.437
  106    HB   VAL  18           HB       VAL  18  -1.032  -0.697   3.128
  107   HG11  VAL  18          1HG1      VAL  18  -0.745   0.575   5.253
  108   HG12  VAL  18          2HG1      VAL  18  -0.128   1.957   4.319
  109   HG13  VAL  18          3HG1      VAL  18  -1.791   1.405   4.082
  110   HG21  VAL  18          1HG2      VAL  18  -1.355   1.275   1.695
  111   HG22  VAL  18          2HG2      VAL  18   0.346   1.721   1.922
  112   HG23  VAL  18          3HG2      VAL  18  -0.085   0.238   1.037
  113    H    TYR  19           H        TYR  19   0.558  -2.931   3.328
  114    HA   TYR  19           HA       TYR  19   2.145  -3.462   0.848
  115    HB2  TYR  19          1HB       TYR  19   2.654  -5.044   2.559
  116    HB3  TYR  19          2HB       TYR  19   0.977  -5.174   3.057
  117    HD1  TYR  19          1HD       TYR  19   3.490  -6.371   0.644
  118    HD2  TYR  19          2HD       TYR  19  -0.677  -6.467   1.759
  119    HE1  TYR  19          1HE       TYR  19   3.152  -8.390  -0.770
  120    HE2  TYR  19          2HE       TYR  19  -1.020  -8.455   0.304
  121    HH   TYR  19           HH       TYR  19   1.661  -9.943  -1.552
  122    H    VAL  20           H        VAL  20   1.081  -4.037  -1.001
  123    HA   VAL  20           HA       VAL  20  -1.903  -4.251  -1.003
  124    HB   VAL  20           HB       VAL  20  -0.293  -2.792  -3.134
  125   HG11  VAL  20          1HG1      VAL  20  -2.550  -2.086  -3.889
  126   HG12  VAL  20          2HG1      VAL  20  -2.396  -3.852  -3.911
  127   HG13  VAL  20          3HG1      VAL  20  -3.288  -3.061  -2.604
  128   HG21  VAL  20          1HG2      VAL  20  -1.311  -0.715  -2.324
  129   HG22  VAL  20          2HG2      VAL  20  -2.008  -1.577  -0.931
  130   HG23  VAL  20          3HG2      VAL  20  -0.247  -1.406  -1.107
  131    H    GLY  21           H        GLY  21  -2.314  -6.296  -1.583
  132    HA2  GLY  21          1HA       GLY  21  -0.567  -7.682  -3.596
  133    HA3  GLY  21          2HA       GLY  21  -1.552  -8.481  -2.381
  134    H    GLY  22           H        GLY  22  -1.440  -8.587  -5.406
  135    HA2  GLY  22          1HA       GLY  22  -3.189  -9.606  -6.682
  136    HA3  GLY  22          2HA       GLY  22  -4.402  -8.656  -5.825
  137    H    LEU  23           H        LEU  23  -1.408  -7.408  -7.323
  138    HA   LEU  23           HA       LEU  23  -2.906  -5.224  -8.554
  139    HB2  LEU  23          1HB       LEU  23   0.061  -5.921  -8.525
  140    HB3  LEU  23          2HB       LEU  23  -0.622  -4.431  -9.166
  141    HG   LEU  23           HG       LEU  23  -0.677  -5.323  -6.247
  142   HD11  LEU  23          1HD1      LEU  23   1.519  -4.580  -7.128
  143   HD12  LEU  23          2HD1      LEU  23   0.854  -3.466  -5.912
  144   HD13  LEU  23          3HD1      LEU  23   0.792  -3.050  -7.638
  145   HD21  LEU  23          1HD2      LEU  23  -1.860  -2.890  -7.637
  146   HD22  LEU  23          2HD2      LEU  23  -1.468  -2.908  -5.912
  147   HD23  LEU  23          3HD2      LEU  23  -2.664  -4.042  -6.558
  148    H    ASP  24           H        ASP  24  -3.078  -4.750 -10.694
  149    HA   ASP  24           HA       ASP  24  -2.830  -6.986 -12.564
  150    HB2  ASP  24          1HB       ASP  24  -4.887  -5.625 -12.509
  151    HB3  ASP  24          2HB       ASP  24  -3.957  -4.171 -12.875
  152    H    GLU  25           H        GLU  25  -1.829  -6.704 -14.736
  153    HA   GLU  25           HA       GLU  25   0.862  -5.810 -14.631
  154    HB2  GLU  25          1HB       GLU  25   0.945  -6.335 -16.987
  155    HB3  GLU  25          2HB       GLU  25   0.073  -7.583 -16.102
  156    HG2  GLU  25          1HG       GLU  25  -2.093  -6.614 -16.879
  157    HG3  GLU  25          2HG       GLU  25  -1.211  -5.371 -17.770
  158    H    LYS  26           H        LYS  26  -2.011  -3.924 -15.413
  159    HA   LYS  26           HA       LYS  26  -0.511  -1.716 -16.635
  160    HB2  LYS  26          1HB       LYS  26  -3.371  -1.949 -15.629
  161    HB3  LYS  26          2HB       LYS  26  -2.712  -0.537 -16.464
  162    HG2  LYS  26          1HG       LYS  26  -2.144  -1.942 -18.430
  163    HG3  LYS  26          2HG       LYS  26  -2.869  -3.347 -17.652
  164    HD2  LYS  26          1HD       LYS  26  -4.301  -0.773 -18.421
  165    HD3  LYS  26          2HD       LYS  26  -4.377  -2.294 -19.303
  166    HE2  LYS  26          1HE       LYS  26  -5.421  -1.802 -16.481
  167    HE3  LYS  26          2HE       LYS  26  -6.396  -1.901 -17.950
  168    HZ1  LYS  26          1HZ       LYS  26  -4.837  -4.098 -16.703
  169    HZ2  LYS  26          2HZ       LYS  26  -5.528  -4.227 -18.195
  170    HZ3  LYS  26          3HZ       LYS  26  -6.457  -4.019 -16.867
  171    H    VAL  27           H        VAL  27  -0.853  -2.671 -13.375
  172    HA   VAL  27           HA       VAL  27  -0.892  -0.018 -12.173
  173    HB   VAL  27           HB       VAL  27  -0.122  -2.705 -10.967
  174   HG11  VAL  27          1HG1      VAL  27   0.842  -0.898  -9.619
  175   HG12  VAL  27          2HG1      VAL  27  -0.712  -0.048  -9.601
  176   HG13  VAL  27          3HG1      VAL  27  -0.533  -1.612  -8.806
  177   HG21  VAL  27          1HG2      VAL  27  -2.384  -2.590  -9.937
  178   HG22  VAL  27          2HG2      VAL  27  -2.718  -1.100 -10.837
  179   HG23  VAL  27          3HG2      VAL  27  -2.482  -2.636 -11.696
  180    H    SER  28           H        SER  28   0.751   1.267 -11.492
  181    HA   SER  28           HA       SER  28   3.570   0.328 -11.727
  182    HB2  SER  28          1HB       SER  28   4.214   2.397 -12.790
  183    HB3  SER  28          2HB       SER  28   2.940   1.633 -13.751
  184    HG   SER  28           HG       SER  28   2.479   3.832 -13.494
  185    H    GLU  29           H        GLU  29   5.116   1.640 -10.450
  186    HA   GLU  29           HA       GLU  29   4.170   2.154  -7.824
  187    HB2  GLU  29          1HB       GLU  29   6.731   2.660  -9.346
  188    HB3  GLU  29          2HB       GLU  29   6.540   3.505  -7.824
  189    HG2  GLU  29          1HG       GLU  29   6.696   1.644  -6.541
  190    HG3  GLU  29          2HG       GLU  29   5.846   0.634  -7.683
  191    HA   PRO  30           HA       PRO  30   3.985   6.877  -8.885
  192    HB2  PRO  30          1HB       PRO  30   3.271   6.618 -11.810
  193    HB3  PRO  30          2HB       PRO  30   4.080   7.974 -10.960
  194    HG2  PRO  30          1HG       PRO  30   5.559   6.237 -12.399
  195    HG3  PRO  30          2HG       PRO  30   6.120   6.717 -10.760
  196    HD2  PRO  30          1HD       PRO  30   4.612   4.219 -11.572
  197    HD3  PRO  30          2HD       PRO  30   6.070   4.369 -10.550
  198    H    LEU  31           H        LEU  31   1.920   4.366 -10.432
  199    HA   LEU  31           HA       LEU  31  -0.556   5.857 -10.101
  200    HB2  LEU  31          1HB       LEU  31  -0.326   3.940 -11.701
  201    HB3  LEU  31          2HB       LEU  31  -0.088   2.855 -10.335
  202    HG   LEU  31           HG       LEU  31  -2.405   3.554  -9.466
  203   HD11  LEU  31          1HD1      LEU  31  -2.663   5.619 -10.775
  204   HD12  LEU  31          2HD1      LEU  31  -3.936   4.458 -11.176
  205   HD13  LEU  31          3HD1      LEU  31  -2.561   4.682 -12.287
  206   HD21  LEU  31          1HD2      LEU  31  -2.034   1.420 -10.528
  207   HD22  LEU  31          2HD2      LEU  31  -2.096   2.160 -12.151
  208   HD23  LEU  31          3HD2      LEU  31  -3.550   2.096 -11.134
  209    H    LEU  32           H        LEU  32   1.077   3.238  -8.262
  210    HA   LEU  32           HA       LEU  32  -0.783   3.208  -6.095
  211    HB2  LEU  32          1HB       LEU  32   2.207   2.561  -6.050
  212    HB3  LEU  32          2HB       LEU  32   1.027   2.134  -4.812
  213    HG   LEU  32           HG       LEU  32   1.262   1.016  -7.602
  214   HD11  LEU  32          1HD1      LEU  32   1.200  -0.247  -4.826
  215   HD12  LEU  32          2HD1      LEU  32   2.679   0.117  -5.754
  216   HD13  LEU  32          3HD1      LEU  32   1.514  -1.075  -6.372
  217   HD21  LEU  32          1HD2      LEU  32  -1.104   1.267  -7.291
  218   HD22  LEU  32          2HD2      LEU  32  -1.003   0.737  -5.589
  219   HD23  LEU  32          3HD2      LEU  32  -0.725  -0.421  -6.901
  220    H    TRP  33           H        TRP  33   1.813   5.436  -6.748
  221    HA   TRP  33           HA       TRP  33   1.742   6.668  -4.119
  222    HB2  TRP  33          1HB       TRP  33   3.596   6.749  -5.861
  223    HB3  TRP  33          2HB       TRP  33   2.654   7.936  -6.730
  224    HD1  TRP  33           HD       TRP  33   1.809   9.811  -4.246
  225    HE1  TRP  33          1HE       TRP  33   3.617  11.213  -3.060
  226    HE3  TRP  33          3HE       TRP  33   5.907   7.163  -5.679
  227    HZ2  TRP  33          2HZ       TRP  33   6.508  11.239  -2.867
  228    HZ3  TRP  33          3HZ       TRP  33   8.209   7.908  -5.024
  229    HH2  TRP  33           HH       TRP  33   8.507   9.944  -3.626
  230    H    GLU  34           H        GLU  34   0.625   7.972  -7.259
  231    HA   GLU  34           HA       GLU  34  -0.840  10.105  -6.079
  232    HB2  GLU  34          1HB       GLU  34  -1.095   8.845  -8.846
  233    HB3  GLU  34          2HB       GLU  34  -1.847  10.370  -8.350
  234    HG2  GLU  34          1HG       GLU  34   0.445  11.202  -7.704
  235    HG3  GLU  34          2HG       GLU  34   1.140   9.786  -8.483
  236    H    LEU  35           H        LEU  35  -1.991   6.861  -6.883
  237    HA   LEU  35           HA       LEU  35  -4.799   7.433  -6.526
  238    HB2  LEU  35          1HB       LEU  35  -3.620   5.379  -7.654
  239    HB3  LEU  35          2HB       LEU  35  -3.458   4.768  -6.005
  240    HG   LEU  35           HG       LEU  35  -6.025   5.116  -5.861
  241   HD11  LEU  35          1HD1      LEU  35  -6.308   6.427  -7.926
  242   HD12  LEU  35          2HD1      LEU  35  -7.225   4.915  -7.990
  243   HD13  LEU  35          3HD1      LEU  35  -5.694   5.057  -8.881
  244   HD21  LEU  35          1HD2      LEU  35  -6.421   2.900  -6.836
  245   HD22  LEU  35          2HD2      LEU  35  -4.940   2.936  -5.872
  246   HD23  LEU  35          3HD2      LEU  35  -4.837   2.973  -7.650
  247    H    PHE  36           H        PHE  36  -2.194   6.693  -4.248
  248    HA   PHE  36           HA       PHE  36  -4.060   6.171  -2.015
  249    HB2  PHE  36          1HB       PHE  36  -1.123   5.798  -2.504
  250    HB3  PHE  36          2HB       PHE  36  -1.725   5.801  -0.893
  251    HD1  PHE  36          1HD       PHE  36  -2.456   3.815   0.102
  252    HD2  PHE  36          2HD       PHE  36  -2.394   4.083  -4.186
  253    HE1  PHE  36          1HE       PHE  36  -3.151   1.434  -0.056
  254    HE2  PHE  36          2HE       PHE  36  -3.052   1.697  -4.352
  255    HZ   PHE  36           HZ       PHE  36  -3.477   0.381  -2.285
  256    H    LEU  37           H        LEU  37  -2.371   8.899  -3.266
  257    HA   LEU  37           HA       LEU  37  -2.047  10.499  -0.962
  258    HB2  LEU  37          1HB       LEU  37  -2.918  11.157  -3.800
  259    HB3  LEU  37          2HB       LEU  37  -2.615  12.396  -2.593
  260    HG   LEU  37           HG       LEU  37  -0.535  10.443  -3.613
  261   HD11  LEU  37          1HD1      LEU  37  -0.834  13.443  -4.017
  262   HD12  LEU  37          2HD1      LEU  37  -1.231  12.212  -5.230
  263   HD13  LEU  37          3HD1      LEU  37   0.445  12.402  -4.682
  264   HD21  LEU  37          1HD2      LEU  37   1.062  11.903  -2.372
  265   HD22  LEU  37          2HD2      LEU  37  -0.055  11.044  -1.303
  266   HD23  LEU  37          3HD2      LEU  37  -0.325  12.762  -1.653
  267    H    GLN  38           H        GLN  38  -4.979   9.309  -2.248
  268    HA   GLN  38           HA       GLN  38  -6.881  11.164  -1.144
  269    HB2  GLN  38          1HB       GLN  38  -7.202   8.159  -1.578
  270    HB3  GLN  38          2HB       GLN  38  -8.495   9.357  -1.421
  271    HG2  GLN  38          1HG       GLN  38  -7.635  10.476  -3.516
  272    HG3  GLN  38          2HG       GLN  38  -6.450   9.160  -3.647
  273   HE21  GLN  38          1HE2      GLN  38  -7.141   7.090  -4.338
  274   HE22  GLN  38          2HE2      GLN  38  -8.779   6.816  -4.953
  275    H    ALA  39           H        ALA  39  -5.105   8.428   0.271
  276    HA   ALA  39           HA       ALA  39  -6.670   8.419   2.753
  277    HB1  ALA  39          1HB       ALA  39  -5.668   6.348   1.888
  278    HB2  ALA  39          2HB       ALA  39  -4.050   7.066   1.979
  279    HB3  ALA  39          3HB       ALA  39  -4.959   6.762   3.464
  280    H    GLY  40           H        GLY  40  -3.386   9.468   1.795
  281    HA2  GLY  40          1HA       GLY  40  -3.305  11.750   3.517
  282    HA3  GLY  40          2HA       GLY  40  -2.491  10.392   4.298
  283    HA   PRO  41           HA       PRO  41   0.489  12.655   1.467
  284    HB2  PRO  41          1HB       PRO  41   2.479  13.137   3.297
  285    HB3  PRO  41          2HB       PRO  41   1.061  14.202   3.060
  286    HG2  PRO  41          1HG       PRO  41   1.408  12.017   5.136
  287    HG3  PRO  41          2HG       PRO  41   0.878  13.708   5.395
  288    HD2  PRO  41          1HD       PRO  41  -0.876  11.644   5.169
  289    HD3  PRO  41          2HD       PRO  41  -1.269  13.227   4.437
  290    H    VAL  42           H        VAL  42   1.112  11.035   0.205
  291    HA   VAL  42           HA       VAL  42   2.624   8.700   1.170
  292    HB   VAL  42           HB       VAL  42   1.902   9.532  -1.656
  293   HG11  VAL  42          1HG1      VAL  42   2.509   7.154  -2.192
  294   HG12  VAL  42          2HG1      VAL  42   3.896   8.116  -1.707
  295   HG13  VAL  42          3HG1      VAL  42   3.162   6.980  -0.556
  296   HG21  VAL  42          1HG2      VAL  42   0.706   7.379   0.132
  297   HG22  VAL  42          2HG2      VAL  42  -0.095   8.899  -0.325
  298   HG23  VAL  42          3HG2      VAL  42   0.273   7.698  -1.563
  299    H    VAL  43           H        VAL  43   4.705   8.471   1.132
  300    HA   VAL  43           HA       VAL  43   6.453  10.788   0.442
  301    HB   VAL  43           HB       VAL  43   7.034   8.447   2.296
  302   HG11  VAL  43          1HG1      VAL  43   9.022   9.760   1.690
  303   HG12  VAL  43          2HG1      VAL  43   8.185  11.268   2.146
  304   HG13  VAL  43          3HG1      VAL  43   8.585  10.057   3.378
  305   HG21  VAL  43          1HG2      VAL  43   5.031   9.512   3.167
  306   HG22  VAL  43          2HG2      VAL  43   6.415   9.932   4.173
  307   HG23  VAL  43          3HG2      VAL  43   5.771  11.124   3.016
  308    H    ASN  44           H        ASN  44   6.038   7.328  -0.097
  309    HA   ASN  44           HA       ASN  44   7.930   7.214  -2.311
  310    HB2  ASN  44          1HB       ASN  44   9.508   7.138  -0.472
  311    HB3  ASN  44          2HB       ASN  44   8.526   6.002   0.414
  312   HD21  ASN  44          1HD2      ASN  44   9.771   4.216   0.604
  313   HD22  ASN  44          2HD2      ASN  44  10.567   3.428  -0.766
  314    H    THR  45           H        THR  45   7.891   5.059  -3.356
  315    HA   THR  45           HA       THR  45   5.822   3.131  -2.477
  316    HB   THR  45           HB       THR  45   5.276   2.782  -4.979
  317    HG1  THR  45          1HG       THR  45   5.252   4.744  -6.128
  318   HG21  THR  45          1HG2      THR  45   3.679   3.605  -3.299
  319   HG22  THR  45          2HG2      THR  45   3.419   4.222  -4.924
  320   HG23  THR  45          3HG2      THR  45   4.163   5.277  -3.685
  321    H    HIS  46           H        HIS  46   6.113   0.981  -3.249
  322    HA   HIS  46           HA       HIS  46   8.645   0.390  -4.680
  323    HB2  HIS  46          1HB       HIS  46   9.026   0.367  -2.120
  324    HB3  HIS  46          2HB       HIS  46   7.905  -0.968  -2.064
  325    HD2  HIS  46          2HD       HIS  46  11.029  -0.263  -4.326
  326    HE1  HIS  46          1HE       HIS  46  11.304  -4.265  -2.880
  327    HE2  HIS  46          2HE       HIS  46  12.428  -2.495  -4.323
  328    H    MET  47           H        MET  47   8.304  -1.159  -6.204
  329    HA   MET  47           HA       MET  47   6.282  -3.314  -5.660
  330    HB2  MET  47          1HB       MET  47   6.567  -1.699  -8.205
  331    HB3  MET  47          2HB       MET  47   5.824  -3.300  -8.149
  332    HG2  MET  47          1HG       MET  47   4.120  -2.583  -6.633
  333    HG3  MET  47          2HG       MET  47   4.896  -1.021  -6.377
  334    HE1  MET  47          1HE       MET  47   2.984  -3.334  -8.759
  335    HE2  MET  47          2HE       MET  47   2.603  -2.304 -10.165
  336    HE3  MET  47          3HE       MET  47   4.266  -2.854  -9.897
  337    HA   PRO  48           HA       PRO  48  10.290  -5.328  -6.276
  338    HB2  PRO  48          1HB       PRO  48   8.490  -7.676  -5.617
  339    HB3  PRO  48          2HB       PRO  48  10.192  -7.387  -5.122
  340    HG2  PRO  48          1HG       PRO  48   8.226  -6.795  -3.392
  341    HG3  PRO  48          2HG       PRO  48   9.524  -5.600  -3.654
  342    HD2  PRO  48          1HD       PRO  48   6.747  -5.643  -4.872
  343    HD3  PRO  48          2HD       PRO  48   7.633  -4.265  -4.139
  344    H    LYS  49           H        LYS  49  11.183  -5.994  -8.100
  345    HA   LYS  49           HA       LYS  49   9.468  -6.750 -10.398
  346    HB2  LYS  49          1HB       LYS  49  12.389  -5.930 -10.400
  347    HB3  LYS  49          2HB       LYS  49  11.347  -6.141 -11.803
  348    HG2  LYS  49          1HG       LYS  49  11.143  -3.978  -9.680
  349    HG3  LYS  49          2HG       LYS  49  11.649  -3.790 -11.359
  350    HD2  LYS  49          1HD       LYS  49   9.340  -4.501 -12.088
  351    HD3  LYS  49          2HD       LYS  49   8.842  -4.499 -10.392
  352    HE2  LYS  49          1HE       LYS  49   9.812  -2.104 -12.016
  353    HE3  LYS  49          2HE       LYS  49   8.162  -2.433 -11.481
  354    HZ1  LYS  49          1HZ       LYS  49  10.463  -1.676  -9.785
  355    HZ2  LYS  49          2HZ       LYS  49   9.120  -2.352  -9.145
  356    HZ3  LYS  49          3HZ       LYS  49   9.016  -0.913  -9.911
  357    H    ASP  50           H        ASP  50   9.830  -8.405 -11.734
  358    HA   ASP  50           HA       ASP  50  10.655 -10.860 -10.471
  359    HB2  ASP  50          1HB       ASP  50   8.591 -10.582 -11.810
  360    HB3  ASP  50          2HB       ASP  50   9.563 -10.243 -13.242
  361    H    ARG  51           H        ARG  51  12.158 -12.395 -11.147
  362    HA   ARG  51           HA       ARG  51  14.577 -11.262 -12.383
  363    HB2  ARG  51          1HB       ARG  51  15.778 -13.053 -11.373
  364    HB3  ARG  51          2HB       ARG  51  14.709 -12.304 -10.193
  365    HG2  ARG  51          1HG       ARG  51  13.086 -14.204 -10.480
  366    HG3  ARG  51          2HG       ARG  51  14.178 -14.924 -11.670
  367    HD2  ARG  51          1HD       ARG  51  14.518 -16.043  -9.605
  368    HD3  ARG  51          2HD       ARG  51  15.959 -15.069  -9.939
  369    HE   ARG  51           HE       ARG  51  14.159 -13.554  -8.305
  370   HH11  ARG  51          1HH1      ARG  51  16.261 -16.334  -7.962
  371   HH12  ARG  51          2HH1      ARG  51  16.487 -16.068  -6.254
  372   HH21  ARG  51          1HH2      ARG  51  14.496 -13.267  -6.125
  373   HH22  ARG  51          2HH2      ARG  51  15.510 -14.375  -5.250
  374    H    VAL  52           H        VAL  52  12.093 -12.565 -13.935
  375    HA   VAL  52           HA       VAL  52  13.801 -13.996 -15.949
  376    HB   VAL  52           HB       VAL  52  10.996 -14.842 -15.111
  377   HG11  VAL  52          1HG1      VAL  52  11.502 -16.867 -16.451
  378   HG12  VAL  52          2HG1      VAL  52  11.515 -15.413 -17.447
  379   HG13  VAL  52          3HG1      VAL  52  13.053 -16.151 -16.944
  380   HG21  VAL  52          1HG2      VAL  52  12.486 -15.423 -13.282
  381   HG22  VAL  52          2HG2      VAL  52  12.104 -16.883 -14.185
  382   HG23  VAL  52          3HG2      VAL  52  13.685 -16.099 -14.414
  383    H    THR  53           H        THR  53  10.835 -12.147 -15.288
  384    HA   THR  53           HA       THR  53  10.562 -11.488 -18.185
  385    HB   THR  53           HB       THR  53   8.225 -10.985 -17.692
  386    HG1  THR  53          1HG       THR  53   8.768 -11.953 -15.084
  387   HG21  THR  53          1HG2      THR  53   7.375 -13.211 -17.224
  388   HG22  THR  53          2HG2      THR  53   8.939 -13.725 -16.555
  389   HG23  THR  53          3HG2      THR  53   8.792 -13.331 -18.283
  390    H    GLY  54           H        GLY  54  11.242 -10.138 -15.081
  391    HA2  GLY  54          1HA       GLY  54  11.909  -8.058 -14.463
  392    HA3  GLY  54          2HA       GLY  54  11.798  -7.557 -16.150
  393    H    GLN  55           H        GLN  55   8.781  -8.740 -15.344
  394    HA   GLN  55           HA       GLN  55   7.525  -6.113 -14.961
  395    HB2  GLN  55          1HB       GLN  55   6.393  -8.947 -14.911
  396    HB3  GLN  55          2HB       GLN  55   5.436  -7.467 -14.910
  397    HG2  GLN  55          1HG       GLN  55   7.264  -8.402 -17.171
  398    HG3  GLN  55          2HG       GLN  55   5.509  -8.491 -17.139
  399   HE21  GLN  55          1HE2      GLN  55   4.287  -6.354 -17.029
  400   HE22  GLN  55          2HE2      GLN  55   5.054  -4.966 -17.786
  401    H    HIS  56           H        HIS  56   5.795  -5.962 -13.087
  402    HA   HIS  56           HA       HIS  56   7.123  -6.532 -10.536
  403    HB2  HIS  56          1HB       HIS  56   5.356  -5.428  -9.468
  404    HB3  HIS  56          2HB       HIS  56   5.744  -4.489 -10.902
  405    HD2  HIS  56          2HD       HIS  56   3.720  -3.967 -12.527
  406    HE1  HIS  56          1HE       HIS  56   0.775  -6.446 -10.708
  407    HE2  HIS  56          2HE       HIS  56   1.159  -4.629 -12.419
  408    H    GLN  57           H        GLN  57   6.371  -7.928  -8.883
  409    HA   GLN  57           HA       GLN  57   5.334 -10.447  -9.983
  410    HB2  GLN  57          1HB       GLN  57   6.697  -9.766  -7.366
  411    HB3  GLN  57          2HB       GLN  57   6.091 -11.381  -7.772
  412    HG2  GLN  57          1HG       GLN  57   7.458 -11.333  -9.874
  413    HG3  GLN  57          2HG       GLN  57   8.228  -9.848  -9.300
  414   HE21  GLN  57          1HE2      GLN  57   9.254 -12.758  -9.795
  415   HE22  GLN  57          2HE2      GLN  57  10.038 -13.129  -8.259
  416    H    GLY  58           H        GLY  58   3.355  -8.262  -9.547
  417    HA2  GLY  58          1HA       GLY  58   1.068  -8.447  -9.271
  418    HA3  GLY  58          2HA       GLY  58   1.268  -9.993  -8.452
  419    H    TYR  59           H        TYR  59   3.244  -7.702  -6.924
  420    HA   TYR  59           HA       TYR  59   1.149  -6.562  -5.209
  421    HB2  TYR  59          1HB       TYR  59   2.061  -7.340  -3.153
  422    HB3  TYR  59          2HB       TYR  59   1.720  -8.732  -4.157
  423    HD1  TYR  59          1HD       TYR  59   3.618  -9.976  -5.267
  424    HD2  TYR  59          2HD       TYR  59   4.291  -6.839  -2.381
  425    HE1  TYR  59          1HE       TYR  59   5.954 -10.767  -4.960
  426    HE2  TYR  59          2HE       TYR  59   6.600  -7.689  -2.008
  427    HH   TYR  59           HH       TYR  59   7.929 -10.478  -3.829
  428    H    GLY  60           H        GLY  60   1.925  -4.936  -3.747
  429    HA2  GLY  60          1HA       GLY  60   4.520  -3.629  -4.318
  430    HA3  GLY  60          2HA       GLY  60   3.046  -2.768  -4.765
  431    H    PHE  61           H        PHE  61   4.436  -1.391  -3.182
  432    HA   PHE  61           HA       PHE  61   3.083  -1.453  -0.556
  433    HB2  PHE  61          1HB       PHE  61   6.035  -0.905  -1.001
  434    HB3  PHE  61          2HB       PHE  61   5.201  -0.814   0.521
  435    HD1  PHE  61          1HD       PHE  61   6.756  -3.063  -1.927
  436    HD2  PHE  61          2HD       PHE  61   4.522  -2.841   1.754
  437    HE1  PHE  61          1HE       PHE  61   7.449  -5.377  -1.367
  438    HE2  PHE  61          2HE       PHE  61   5.217  -5.166   2.312
  439    HZ   PHE  61           HZ       PHE  61   6.681  -6.433   0.752
  440    H    VAL  62           H        VAL  62   2.779   0.568   0.416
  441    HA   VAL  62           HA       VAL  62   3.674   3.010  -1.062
  442    HB   VAL  62           HB       VAL  62   0.885   2.769   0.113
  443   HG11  VAL  62          1HG1      VAL  62   1.803   5.041   0.018
  444   HG12  VAL  62          2HG1      VAL  62   2.199   4.815  -1.706
  445   HG13  VAL  62          3HG1      VAL  62   0.515   4.830  -1.162
  446   HG21  VAL  62          1HG2      VAL  62   0.899   1.264  -1.786
  447   HG22  VAL  62          2HG2      VAL  62   0.088   2.757  -2.253
  448   HG23  VAL  62          3HG2      VAL  62   1.762   2.467  -2.769
  449    H    GLU  63           H        GLU  63   4.742   4.364   0.214
  450    HA   GLU  63           HA       GLU  63   4.779   3.886   3.148
  451    HB2  GLU  63          1HB       GLU  63   6.848   3.743   1.770
  452    HB3  GLU  63          2HB       GLU  63   6.630   5.449   1.344
  453    HG2  GLU  63          1HG       GLU  63   6.814   6.073   3.732
  454    HG3  GLU  63          2HG       GLU  63   7.092   4.384   4.155
  455    H    PHE  64           H        PHE  64   3.667   5.219   4.440
  456    HA   PHE  64           HA       PHE  64   2.887   7.931   3.501
  457    HB2  PHE  64          1HB       PHE  64   1.808   6.101   5.667
  458    HB3  PHE  64          2HB       PHE  64   1.368   7.792   5.522
  459    HD1  PHE  64          1HD       PHE  64   1.017   4.463   3.962
  460    HD2  PHE  64          2HD       PHE  64   0.108   8.664   3.640
  461    HE1  PHE  64          1HE       PHE  64  -0.688   3.965   2.213
  462    HE2  PHE  64          2HE       PHE  64  -1.595   8.157   1.891
  463    HZ   PHE  64           HZ       PHE  64  -2.012   5.833   1.207
  464    H    LEU  65           H        LEU  65   3.010   9.709   4.921
  465    HA   LEU  65           HA       LEU  65   5.493  10.071   6.210
  466    HB2  LEU  65          1HB       LEU  65   3.825  11.797   5.254
  467    HB3  LEU  65          2HB       LEU  65   2.944  11.614   6.778
  468    HG   LEU  65           HG       LEU  65   5.125  12.279   7.962
  469   HD11  LEU  65          1HD1      LEU  65   5.842  13.155   5.126
  470   HD12  LEU  65          2HD1      LEU  65   6.699  11.925   6.082
  471   HD13  LEU  65          3HD1      LEU  65   6.717  13.613   6.603
  472   HD21  LEU  65          1HD2      LEU  65   3.808  14.287   6.077
  473   HD22  LEU  65          2HD2      LEU  65   4.749  14.686   7.534
  474   HD23  LEU  65          3HD2      LEU  65   3.214  13.818   7.687
  475    H    SER  66           H        SER  66   2.402   9.009   7.570
  476    HA   SER  66           HA       SER  66   3.723   8.362  10.153
  477    HB2  SER  66          1HB       SER  66   1.082   9.856   9.982
  478    HB3  SER  66          2HB       SER  66   1.945   9.363  11.443
  479    HG   SER  66           HG       SER  66   2.274  11.578  10.937
  480    H    GLU  67           H        GLU  67   2.631   6.806  11.419
  481    HA   GLU  67           HA       GLU  67   1.518   4.607  10.019
  482    HB2  GLU  67          1HB       GLU  67   2.748   4.415  12.076
  483    HB3  GLU  67          2HB       GLU  67   1.544   5.374  12.955
  484    HG2  GLU  67          1HG       GLU  67  -0.110   3.606  12.748
  485    HG3  GLU  67          2HG       GLU  67   0.924   2.703  11.640
  486    H    GLU  68           H        GLU  68  -0.174   7.256  11.725
  487    HA   GLU  68           HA       GLU  68  -2.784   6.051  11.566
  488    HB2  GLU  68          1HB       GLU  68  -3.633   8.222  12.203
  489    HB3  GLU  68          2HB       GLU  68  -2.228   7.798  13.179
  490    HG2  GLU  68          1HG       GLU  68  -0.809   9.280  11.730
  491    HG3  GLU  68          2HG       GLU  68  -2.250   9.736  10.819
  492    H    ASP  69           H        ASP  69  -0.887   7.693   9.148
  493    HA   ASP  69           HA       ASP  69  -3.187   8.134   7.338
  494    HB2  ASP  69          1HB       ASP  69  -0.192   8.505   7.013
  495    HB3  ASP  69          2HB       ASP  69  -1.365   8.824   5.748
  496    H    ALA  70           H        ALA  70  -0.630   5.716   7.903
  497    HA   ALA  70           HA       ALA  70  -1.259   4.150   5.534
  498    HB1  ALA  70          1HB       ALA  70   0.137   3.401   8.162
  499    HB2  ALA  70          2HB       ALA  70   0.123   2.420   6.694
  500    HB3  ALA  70          3HB       ALA  70   0.932   3.995   6.693
  501    H    ASP  71           H        ASP  71  -2.301   4.025   8.982
  502    HA   ASP  71           HA       ASP  71  -4.144   1.871   8.777
  503    HB2  ASP  71          1HB       ASP  71  -3.328   2.934  10.875
  504    HB3  ASP  71          2HB       ASP  71  -4.297   4.363  10.518
  505    H    TYR  72           H        TYR  72  -4.506   5.232   7.709
  506    HA   TYR  72           HA       TYR  72  -7.367   5.009   7.195
  507    HB2  TYR  72          1HB       TYR  72  -5.991   7.142   7.587
  508    HB3  TYR  72          2HB       TYR  72  -5.476   6.993   5.915
  509    HD1  TYR  72          1HD       TYR  72  -7.444   6.740   4.125
  510    HD2  TYR  72          2HD       TYR  72  -7.967   8.271   8.124
  511    HE1  TYR  72          1HE       TYR  72  -9.500   7.924   3.400
  512    HE2  TYR  72          2HE       TYR  72 -10.051   9.426   7.404
  513    HH   TYR  72           HH       TYR  72 -11.478   9.878   5.668
  514    H    ALA  73           H        ALA  73  -4.386   4.519   5.205
  515    HA   ALA  73           HA       ALA  73  -5.854   4.193   2.731
  516    HB1  ALA  73          1HB       ALA  73  -3.678   3.374   1.905
  517    HB2  ALA  73          2HB       ALA  73  -3.504   4.883   2.826
  518    HB3  ALA  73          3HB       ALA  73  -3.046   3.337   3.565
  519    H    ILE  74           H        ILE  74  -4.681   1.885   5.185
  520    HA   ILE  74           HA       ILE  74  -5.543  -0.537   3.925
  521    HB   ILE  74           HB       ILE  74  -5.400   0.244   6.870
  522   HG12  ILE  74          1HG1      ILE  74  -3.408  -1.384   5.235
  523   HG13  ILE  74          2HG1      ILE  74  -3.274   0.359   5.431
  524   HG21  ILE  74          1HG2      ILE  74  -5.263  -2.250   7.277
  525   HG22  ILE  74          2HG2      ILE  74  -6.824  -1.737   6.665
  526   HG23  ILE  74          3HG2      ILE  74  -5.663  -2.502   5.564
  527   HD11  ILE  74          1HD1      ILE  74  -3.087   0.122   7.864
  528   HD12  ILE  74          2HD1      ILE  74  -3.162  -1.651   7.699
  529   HD13  ILE  74          3HD1      ILE  74  -1.823  -0.744   6.979
  530    H    LYS  75           H        LYS  75  -7.312   1.883   5.800
  531    HA   LYS  75           HA       LYS  75  -9.745   0.395   6.099
  532    HB2  LYS  75          1HB       LYS  75  -8.837   2.225   7.499
  533    HB3  LYS  75          2HB       LYS  75  -9.295   3.414   6.264
  534    HG2  LYS  75          1HG       LYS  75 -11.631   2.876   6.537
  535    HG3  LYS  75          2HG       LYS  75 -11.229   1.513   7.576
  536    HD2  LYS  75          1HD       LYS  75 -10.810   4.482   8.212
  537    HD3  LYS  75          2HD       LYS  75 -12.057   3.435   8.866
  538    HE2  LYS  75          1HE       LYS  75 -10.612   3.446  10.631
  539    HE3  LYS  75          2HE       LYS  75 -10.079   1.987   9.802
  540    HZ1  LYS  75          1HZ       LYS  75  -8.194   3.429  10.469
  541    HZ2  LYS  75          2HZ       LYS  75  -8.784   4.665   9.584
  542    HZ3  LYS  75          3HZ       LYS  75  -8.223   3.289   8.866
  543    H    ILE  76           H        ILE  76  -8.757   2.806   3.670
  544    HA   ILE  76           HA       ILE  76 -11.336   2.498   2.277
  545    HB   ILE  76           HB       ILE  76 -10.569   4.266   0.805
  546   HG12  ILE  76          1HG1      ILE  76  -8.168   4.731   2.598
  547   HG13  ILE  76          2HG1      ILE  76  -8.030   3.768   1.150
  548   HG21  ILE  76          1HG2      ILE  76 -10.236   4.989   3.752
  549   HG22  ILE  76          2HG2      ILE  76 -10.804   6.047   2.447
  550   HG23  ILE  76          3HG2      ILE  76 -11.802   4.683   2.962
  551   HD11  ILE  76          1HD1      ILE  76  -7.397   5.982   0.575
  552   HD12  ILE  76          2HD1      ILE  76  -8.988   5.721  -0.149
  553   HD13  ILE  76          3HD1      ILE  76  -8.835   6.676   1.351
  554    H    MET  77           H        MET  77  -7.962   1.485   1.562
  555    HA   MET  77           HA       MET  77  -8.764   0.811  -1.187
  556    HB2  MET  77          1HB       MET  77  -6.102   0.913   0.167
  557    HB3  MET  77          2HB       MET  77  -6.297   0.356  -1.484
  558    HG2  MET  77          1HG       MET  77  -7.323   3.066  -0.634
  559    HG3  MET  77          2HG       MET  77  -5.655   2.822  -1.085
  560    HE1  MET  77          1HE       MET  77  -6.824   4.940  -2.336
  561    HE2  MET  77          2HE       MET  77  -5.519   4.357  -3.407
  562    HE3  MET  77          3HE       MET  77  -7.121   4.751  -4.069
  563    H    ASP  78           H        ASP  78  -9.107  -0.909   1.502
  564    HA   ASP  78           HA       ASP  78  -8.134  -3.484   0.439
  565    HB2  ASP  78          1HB       ASP  78  -7.915  -3.005   2.853
  566    HB3  ASP  78          2HB       ASP  78  -9.679  -2.938   2.994
  567    H    MET  79           H        MET  79  -9.359  -5.132  -0.355
  568    HA   MET  79           HA       MET  79 -10.925  -6.075  -1.605
  569    HB2  MET  79          1HB       MET  79 -12.019  -6.013   0.722
  570    HB3  MET  79          2HB       MET  79 -13.127  -4.825   0.033
  571    HG2  MET  79          1HG       MET  79 -13.819  -6.453  -1.680
  572    HG3  MET  79          2HG       MET  79 -12.622  -7.608  -1.103
  573    HE1  MET  79          1HE       MET  79 -12.860  -7.642   2.063
  574    HE2  MET  79          2HE       MET  79 -14.083  -8.915   2.237
  575    HE3  MET  79          3HE       MET  79 -12.816  -9.069   1.002
  576    H    ILE  80           H        ILE  80 -10.196  -3.114  -2.132
  577    HA   ILE  80           HA       ILE  80 -12.221  -2.264  -4.063
  578    HB   ILE  80           HB       ILE  80  -9.623  -1.289  -2.989
  579   HG12  ILE  80          1HG1      ILE  80 -12.326  -0.101  -3.660
  580   HG13  ILE  80          2HG1      ILE  80 -11.616  -0.413  -2.077
  581   HG21  ILE  80          1HG2      ILE  80 -10.404  -0.276  -5.718
  582   HG22  ILE  80          2HG2      ILE  80  -9.081   0.278  -4.650
  583   HG23  ILE  80          3HG2      ILE  80  -8.998  -1.320  -5.343
  584   HD11  ILE  80          1HD1      ILE  80 -11.531   1.945  -2.411
  585   HD12  ILE  80          2HD1      ILE  80  -9.869   1.391  -2.686
  586   HD13  ILE  80          3HD1      ILE  80 -10.909   1.780  -4.061
  587    H    LYS  81           H        LYS  81 -11.814  -2.128  -6.366
  588    HA   LYS  81           HA       LYS  81 -10.265  -4.452  -7.437
  589    HB2  LYS  81          1HB       LYS  81 -12.926  -3.276  -8.303
  590    HB3  LYS  81          2HB       LYS  81 -12.036  -4.537  -9.168
  591    HG2  LYS  81          1HG       LYS  81 -12.165  -5.975  -7.094
  592    HG3  LYS  81          2HG       LYS  81 -13.182  -4.736  -6.350
  593    HD2  LYS  81          1HD       LYS  81 -14.680  -6.371  -7.166
  594    HD3  LYS  81          2HD       LYS  81 -14.781  -5.026  -8.313
  595    HE2  LYS  81          1HE       LYS  81 -13.111  -6.266  -9.773
  596    HE3  LYS  81          2HE       LYS  81 -13.213  -7.623  -8.647
  597    HZ1  LYS  81          1HZ       LYS  81 -15.592  -7.786  -9.149
  598    HZ2  LYS  81          2HZ       LYS  81 -14.726  -7.918 -10.526
  599    HZ3  LYS  81          3HZ       LYS  81 -15.508  -6.527 -10.188
  600    H    LEU  82           H        LEU  82  -8.466  -2.883  -7.508
  601    HA   LEU  82           HA       LEU  82  -8.400  -0.701  -9.356
  602    HB2  LEU  82          1HB       LEU  82  -6.747  -1.149  -7.531
  603    HB3  LEU  82          2HB       LEU  82  -6.137  -2.533  -8.436
  604    HG   LEU  82           HG       LEU  82  -5.302  -1.072 -10.207
  605   HD11  LEU  82          1HD1      LEU  82  -5.358   1.434  -9.866
  606   HD12  LEU  82          2HD1      LEU  82  -6.564   1.183  -8.590
  607   HD13  LEU  82          3HD1      LEU  82  -6.923   0.739 -10.274
  608   HD21  LEU  82          1HD2      LEU  82  -3.902  -1.461  -8.193
  609   HD22  LEU  82          2HD2      LEU  82  -4.586  -0.007  -7.437
  610   HD23  LEU  82          3HD2      LEU  82  -3.593   0.135  -8.900
  611    H    TYR  83           H        TYR  83  -8.176  -0.638 -11.614
  612    HA   TYR  83           HA       TYR  83  -8.847  -1.477 -13.624
  613    HB2  TYR  83          1HB       TYR  83  -6.406  -3.206 -13.144
  614    HB3  TYR  83          2HB       TYR  83  -7.139  -2.897 -14.708
  615    HD1  TYR  83          1HD       TYR  83  -7.502  -0.329 -15.336
  616    HD2  TYR  83          2HD       TYR  83  -4.573  -1.851 -12.559
  617    HE1  TYR  83          1HE       TYR  83  -6.095   1.687 -15.717
  618    HE2  TYR  83          2HE       TYR  83  -3.161   0.164 -12.957
  619    HH   TYR  83           HH       TYR  83  -4.150   2.777 -15.199
  620    H    GLY  84           H        GLY  84 -10.396  -2.894 -11.527
  621    HA2  GLY  84          1HA       GLY  84 -12.162  -4.347 -11.723
  622    HA3  GLY  84          2HA       GLY  84 -11.605  -4.827 -13.321
  623    H    LYS  85           H        LYS  85  -9.431  -5.225 -10.581
  624    HA   LYS  85           HA       LYS  85  -9.931  -8.109 -10.329
  625    HB2  LYS  85          1HB       LYS  85  -7.278  -6.761 -10.932
  626    HB3  LYS  85          2HB       LYS  85  -7.401  -8.379 -10.224
  627    HG2  LYS  85          1HG       LYS  85  -8.650  -9.209 -12.154
  628    HG3  LYS  85          2HG       LYS  85  -8.691  -7.588 -12.866
  629    HD2  LYS  85          1HD       LYS  85  -6.202  -7.587 -12.974
  630    HD3  LYS  85          2HD       LYS  85  -6.185  -9.250 -12.350
  631    HE2  LYS  85          1HE       LYS  85  -7.472 -10.023 -14.305
  632    HE3  LYS  85          2HE       LYS  85  -7.631  -8.358 -14.885
  633    HZ1  LYS  85          1HZ       LYS  85  -5.208  -8.264 -15.106
  634    HZ2  LYS  85          2HZ       LYS  85  -5.827  -9.464 -16.037
  635    HZ3  LYS  85          3HZ       LYS  85  -5.065  -9.830 -14.637
  636    HA   PRO  86           HA       PRO  86 -10.079  -6.358  -6.282
  637    HB2  PRO  86          1HB       PRO  86 -10.447  -8.636  -4.758
  638    HB3  PRO  86          2HB       PRO  86 -11.702  -7.840  -5.756
  639    HG2  PRO  86          1HG       PRO  86  -9.967 -10.215  -6.462
  640    HG3  PRO  86          2HG       PRO  86 -11.729 -10.005  -6.722
  641    HD2  PRO  86          1HD       PRO  86  -9.925  -9.585  -8.715
  642    HD3  PRO  86          2HD       PRO  86 -11.351  -8.508  -8.566
  643    H    ILE  87           H        ILE  87  -8.672  -5.584  -4.907
  644    HA   ILE  87           HA       ILE  87  -6.088  -6.979  -4.433
  645    HB   ILE  87           HB       ILE  87  -5.219  -4.785  -3.701
  646   HG12  ILE  87          1HG1      ILE  87  -7.619  -3.478  -5.006
  647   HG13  ILE  87          2HG1      ILE  87  -7.569  -3.766  -3.260
  648   HG21  ILE  87          1HG2      ILE  87  -4.801  -5.662  -5.933
  649   HG22  ILE  87          2HG2      ILE  87  -6.290  -4.920  -6.553
  650   HG23  ILE  87          3HG2      ILE  87  -4.946  -3.906  -5.996
  651   HD11  ILE  87          1HD1      ILE  87  -5.562  -2.093  -4.837
  652   HD12  ILE  87          2HD1      ILE  87  -6.862  -1.485  -3.805
  653   HD13  ILE  87          3HD1      ILE  87  -5.525  -2.397  -3.083
  654    H    ARG  88           H        ARG  88  -5.080  -6.745  -2.345
  655    HA   ARG  88           HA       ARG  88  -6.912  -6.316  -0.029
  656    HB2  ARG  88          1HB       ARG  88  -4.922  -8.603  -0.325
  657    HB3  ARG  88          2HB       ARG  88  -5.711  -8.162   1.187
  658    HG2  ARG  88          1HG       ARG  88  -7.152  -9.111  -1.326
  659    HG3  ARG  88          2HG       ARG  88  -6.783 -10.094   0.089
  660    HD2  ARG  88          1HD       ARG  88  -8.179  -8.635   1.510
  661    HD3  ARG  88          2HD       ARG  88  -8.579  -7.621   0.129
  662    HE   ARG  88           HE       ARG  88  -9.635 -10.281   0.755
  663   HH11  ARG  88          1HH1      ARG  88  -9.318  -7.908  -1.831
  664   HH12  ARG  88          2HH1      ARG  88 -10.645  -8.614  -2.723
  665   HH21  ARG  88          1HH2      ARG  88 -11.286 -11.109  -0.462
  666   HH22  ARG  88          2HH2      ARG  88 -11.729 -10.367  -1.966
  667    H    VAL  89           H        VAL  89  -6.101  -5.263   1.679
  668    HA   VAL  89           HA       VAL  89  -3.318  -4.222   1.454
  669    HB   VAL  89           HB       VAL  89  -5.748  -2.501   2.042
  670   HG11  VAL  89          1HG1      VAL  89  -2.851  -1.742   1.462
  671   HG12  VAL  89          2HG1      VAL  89  -4.199  -0.620   1.742
  672   HG13  VAL  89          3HG1      VAL  89  -3.637  -1.661   3.048
  673   HG21  VAL  89          1HG2      VAL  89  -4.065  -2.774  -0.487
  674   HG22  VAL  89          2HG2      VAL  89  -5.797  -3.130  -0.334
  675   HG23  VAL  89          3HG2      VAL  89  -5.227  -1.468  -0.198
  676    H    ASN  90           H        ASN  90  -2.199  -3.940   3.274
  677    HA   ASN  90           HA       ASN  90  -3.353  -3.820   5.956
  678    HB2  ASN  90          1HB       ASN  90  -2.189  -5.918   6.744
  679    HB3  ASN  90          2HB       ASN  90  -3.524  -6.222   5.653
  680   HD21  ASN  90          1HD2      ASN  90   0.108  -6.124   5.785
  681   HD22  ASN  90          2HD2      ASN  90   0.244  -7.228   4.431
  682    H    LYS  91           H        LYS  91  -1.485  -3.899   7.624
  683    HA   LYS  91           HA       LYS  91   0.560  -1.964   7.001
  684    HB2  LYS  91          1HB       LYS  91   0.559  -4.092   9.195
  685    HB3  LYS  91          2HB       LYS  91   1.549  -2.643   9.172
  686    HG2  LYS  91          1HG       LYS  91  -1.500  -2.629   9.291
  687    HG3  LYS  91          2HG       LYS  91  -0.478  -2.638  10.705
  688    HD2  LYS  91          1HD       LYS  91  -0.225  -0.483   8.563
  689    HD3  LYS  91          2HD       LYS  91  -1.411  -0.375   9.851
  690    HE2  LYS  91          1HE       LYS  91   1.623  -0.594  10.228
  691    HE3  LYS  91          2HE       LYS  91   0.695   0.901  10.280
  692    HZ1  LYS  91          1HZ       LYS  91  -0.560  -0.078  12.180
  693    HZ2  LYS  91          2HZ       LYS  91   1.013   0.184  12.508
  694    HZ3  LYS  91          3HZ       LYS  91   0.488  -1.338  12.211
  695    H    ALA  92           H        ALA  92   2.669  -2.197   6.285
  696    HA   ALA  92           HA       ALA  92   3.430  -4.730   5.082
  697    HB1  ALA  92          1HB       ALA  92   3.909  -2.462   4.143
  698    HB2  ALA  92          2HB       ALA  92   5.081  -2.213   5.458
  699    HB3  ALA  92          3HB       ALA  92   5.320  -3.510   4.264
  700    H    SER  93           H        SER  93   3.628  -3.643   8.276
  701    HA   SER  93           HA       SER  93   5.679  -5.663   9.030
  702    HB2  SER  93          1HB       SER  93   5.835  -4.428  11.142
  703    HB3  SER  93          2HB       SER  93   6.157  -3.374   9.762
  704    HG   SER  93           HG       SER  93   4.727  -2.517  11.396
  705    H    ALA  94           H        ALA  94   2.549  -5.963   8.490
  706    HA   ALA  94           HA       ALA  94   1.136  -6.264  10.840
  707    HB1  ALA  94          1HB       ALA  94  -0.374  -7.723   9.505
  708    HB2  ALA  94          2HB       ALA  94   0.129  -6.287   8.607
  709    HB3  ALA  94          3HB       ALA  94   0.879  -7.865   8.255
  710    H    HIS  95           H        HIS  95   3.465  -8.604   9.630
  711    HA   HIS  95           HA       HIS  95   2.689 -10.914  11.105
  712    HB2  HIS  95          1HB       HIS  95   5.519 -10.102  10.359
  713    HB3  HIS  95          2HB       HIS  95   4.877 -11.734  10.541
  714    HD2  HIS  95          2HD       HIS  95   2.837 -12.356   8.600
  715    HE1  HIS  95          1HE       HIS  95   4.429  -9.694   5.671
  716    HE2  HIS  95          2HE       HIS  95   2.838 -11.646   6.061
  717    H    ASN  96           H        ASN  96   4.117  -7.965  12.270
  718    HA   ASN  96           HA       ASN  96   5.562  -8.975  14.509
  719    HB2  ASN  96          1HB       ASN  96   5.778  -6.721  13.385
  720    HB3  ASN  96          2HB       ASN  96   4.273  -6.235  14.168
  721   HD21  ASN  96          1HD2      ASN  96   4.408  -5.532  16.365
  722   HD22  ASN  96          2HD2      ASN  96   5.925  -5.607  17.260
  723    H    LYS  97           H        LYS  97   2.154  -8.764  14.084
  724    HA   LYS  97           HA       LYS  97   1.073  -8.321  16.629
  725    HB2  LYS  97          1HB       LYS  97  -0.201  -8.520  14.568
  726    HB3  LYS  97          2HB       LYS  97   0.240 -10.223  14.396
  727    HG2  LYS  97          1HG       LYS  97  -1.087 -10.840  16.327
  728    HG3  LYS  97          2HG       LYS  97  -1.400  -9.136  16.726
  729    HD2  LYS  97          1HD       LYS  97  -2.732  -8.843  14.726
  730    HD3  LYS  97          2HD       LYS  97  -2.268 -10.444  14.108
  731    HE2  LYS  97          1HE       LYS  97  -3.427 -11.567  15.926
  732    HE3  LYS  97          2HE       LYS  97  -3.770 -10.027  16.726
  733    HZ1  LYS  97          1HZ       LYS  97  -5.675 -10.890  15.426
  734    HZ2  LYS  97          2HZ       LYS  97  -4.822 -10.743  14.041
  735    HZ3  LYS  97          3HZ       LYS  97  -5.204  -9.408  14.922
  736    H    ASN  98           H        ASN  98   2.930 -11.124  15.676
  737    HA   ASN  98           HA       ASN  98   2.210 -12.991  17.688
  738    HB2  ASN  98          1HB       ASN  98   3.643 -13.453  15.720
  739    HB3  ASN  98          2HB       ASN  98   4.902 -12.395  16.368
  740   HD21  ASN  98          1HD2      ASN  98   3.060 -15.408  17.070
  741   HD22  ASN  98          2HD2      ASN  98   4.357 -16.128  18.007
  742    H    LEU  99           H        LEU  99   4.110 -10.019  17.985
  743    HA   LEU  99           HA       LEU  99   4.491 -10.516  20.920
  744    HB2  LEU  99          1HB       LEU  99   5.942  -8.591  19.057
  745    HB3  LEU  99          2HB       LEU  99   6.190  -8.724  20.798
  746    HG   LEU  99           HG       LEU  99   6.791 -10.914  18.753
  747   HD11  LEU  99          1HD1      LEU  99   8.307  -8.981  18.593
  748   HD12  LEU  99          2HD1      LEU  99   9.141 -10.405  19.235
  749   HD13  LEU  99          3HD1      LEU  99   8.651  -9.092  20.333
  750   HD21  LEU  99          1HD2      LEU  99   6.256 -11.899  20.951
  751   HD22  LEU  99          2HD2      LEU  99   7.395 -10.785  21.743
  752   HD23  LEU  99          3HD2      LEU  99   7.982 -12.025  20.617
  753    H    SER 100           H        SER 100   2.658  -9.779  21.849
  754    HA   SER 100           HA       SER 100   1.200  -7.543  20.628
  755    HB2  SER 100          1HB       SER 100  -0.655  -8.297  22.042
  756    HB3  SER 100          2HB       SER 100   0.016  -9.596  21.043
  757    HG   SER 100           HG       SER 100  -0.309 -10.279  23.216
  758    H    GLY 101           H        GLY 101   3.353  -7.772  23.264
  759    HA2  GLY 101          1HA       GLY 101   2.765  -5.053  24.129
  760    HA3  GLY 101          2HA       GLY 101   2.353  -6.266  25.342
  761    HA   PRO 102           HA       PRO 102   6.897  -4.862  25.489
  762    HB2  PRO 102          1HB       PRO 102   6.080  -4.286  28.340
  763    HB3  PRO 102          2HB       PRO 102   7.240  -3.406  27.295
  764    HG2  PRO 102          1HG       PRO 102   4.749  -2.423  27.664
  765    HG3  PRO 102          2HG       PRO 102   5.458  -2.437  26.015
  766    HD2  PRO 102          1HD       PRO 102   3.505  -4.412  27.235
  767    HD3  PRO 102          2HD       PRO 102   3.454  -3.615  25.634
  768    H    SER 103           H        SER 103   8.484  -6.274  25.992
  769    HA   SER 103           HA       SER 103   9.467  -8.246  26.478
  770    HB2  SER 103          1HB       SER 103   8.269  -7.782  29.222
  771    HB3  SER 103          2HB       SER 103   9.654  -8.820  28.838
  772    HG   SER 103           HG       SER 103  10.303  -6.734  29.554
  773    H    SER 104           H        SER 104   6.868  -8.625  25.260
  774    HA   SER 104           HA       SER 104   5.425 -10.796  26.379
  775    HB2  SER 104          1HB       SER 104   4.646  -9.369  24.526
  776    HB3  SER 104          2HB       SER 104   5.824 -10.117  23.438
  777    HG   SER 104           HG       SER 104   4.715 -12.075  23.655
  778    H    GLY 105           H        GLY 105   5.564 -12.979  26.252
  779    HA2  GLY 105          1HA       GLY 105   8.161 -14.234  25.942
  780    HA3  GLY 105          2HA       GLY 105   6.647 -15.028  26.365
  Start of MODEL    9
    1    H1   GLY   1          1H        GLY   1  -7.833  21.183  16.885
    2    H2   GLY   1          2H        GLY   1  -6.390  20.589  16.385
    3    H3   GLY   1          3H        GLY   1  -7.496  19.589  17.060
    4    HA2  GLY   1          1HA       GLY   1  -9.019  19.926  15.222
    5    HA3  GLY   1          2HA       GLY   1  -7.807  20.992  14.487
    6    H    SER   2           H        SER   2  -7.700  19.651  12.627
    7    HA   SER   2           HA       SER   2  -7.132  16.854  12.658
    8    HB2  SER   2          1HB       SER   2  -6.589  18.895  10.470
    9    HB3  SER   2          2HB       SER   2  -6.677  17.134  10.272
   10    HG   SER   2           HG       SER   2  -8.658  18.171   9.728
   11    H    SER   3           H        SER   3  -5.250  15.700  12.051
   12    HA   SER   3           HA       SER   3  -2.802  16.485  13.254
   13    HB2  SER   3          1HB       SER   3  -3.271  14.351  11.137
   14    HB3  SER   3          2HB       SER   3  -1.878  14.466  12.230
   15    HG   SER   3           HG       SER   3  -3.488  12.988  12.954
   16    H    GLY   4           H        GLY   4  -0.837  17.199  12.458
   17    HA2  GLY   4          1HA       GLY   4   0.110  17.506   9.867
   18    HA3  GLY   4          2HA       GLY   4  -0.919  18.917  10.127
   19    H    SER   5           H        SER   5   0.831  20.312   9.964
   20    HA   SER   5           HA       SER   5   2.519  21.645  10.623
   21    HB2  SER   5          1HB       SER   5   1.552  20.960  13.410
   22    HB3  SER   5          2HB       SER   5   2.492  22.387  12.938
   23    HG   SER   5           HG       SER   5   0.238  22.825  13.044
   24    H    SER   6           H        SER   6   3.383  18.850  10.248
   25    HA   SER   6           HA       SER   6   6.101  19.224  11.297
   26    HB2  SER   6          1HB       SER   6   4.874  17.853  13.031
   27    HB3  SER   6          2HB       SER   6   4.664  16.591  11.799
   28    HG   SER   6           HG       SER   6   6.553  16.291  13.112
   29    H    GLY   7           H        GLY   7   7.673  18.219  10.065
   30    HA2  GLY   7          1HA       GLY   7   6.881  17.328   7.334
   31    HA3  GLY   7          2HA       GLY   7   8.460  17.909   7.847
   32    HA   PRO   8           HA       PRO   8   8.755  13.254   7.468
   33    HB2  PRO   8          1HB       PRO   8  11.313  14.175   6.173
   34    HB3  PRO   8          2HB       PRO   8  10.248  12.807   5.724
   35    HG2  PRO   8          1HG       PRO   8  10.187  15.110   4.297
   36    HG3  PRO   8          2HG       PRO   8   8.653  14.285   4.726
   37    HD2  PRO   8          1HD       PRO   8   9.965  16.646   6.109
   38    HD3  PRO   8          2HD       PRO   8   8.254  16.430   5.625
   39    H    ILE   9           H        ILE   9  10.123  11.894   8.660
   40    HA   ILE   9           HA       ILE   9  12.061  13.138  10.544
   41    HB   ILE   9           HB       ILE   9  11.088  11.634  12.332
   42   HG12  ILE   9          1HG1      ILE   9   8.709  11.330  12.321
   43   HG13  ILE   9          2HG1      ILE   9   8.547  11.869  10.658
   44   HG21  ILE   9          1HG2      ILE   9   9.526  14.072  11.403
   45   HG22  ILE   9          2HG2      ILE   9   9.582  13.412  13.049
   46   HG23  ILE   9          3HG2      ILE   9  11.043  14.098  12.328
   47   HD11  ILE   9          1HD1      ILE   9   9.687   9.867   9.850
   48   HD12  ILE   9          2HD1      ILE   9  10.100   9.388  11.518
   49   HD13  ILE   9          3HD1      ILE   9   8.413   9.381  10.972
   50    H    SER  10           H        SER  10  13.485  11.675  11.662
   51    HA   SER  10           HA       SER  10  14.602   9.662   9.873
   52    HB2  SER  10          1HB       SER  10  16.359   9.524  11.631
   53    HB3  SER  10          2HB       SER  10  16.081  11.164  11.023
   54    HG   SER  10           HG       SER  10  16.216  11.089  13.326
   55    H    GLU  11           H        GLU  11  12.375   9.528  12.504
   56    HA   GLU  11           HA       GLU  11  12.940   6.788  13.302
   57    HB2  GLU  11          1HB       GLU  11  12.051   8.674  14.779
   58    HB3  GLU  11          2HB       GLU  11  10.502   8.468  13.976
   59    HG2  GLU  11          1HG       GLU  11  10.388   7.241  16.005
   60    HG3  GLU  11          2HG       GLU  11  10.548   6.023  14.749
   61    H    ARG  12           H        ARG  12  12.850   6.347  10.842
   62    HA   ARG  12           HA       ARG  12  10.305   6.009   9.525
   63    HB2  ARG  12          1HB       ARG  12  12.547   6.378   8.445
   64    HB3  ARG  12          2HB       ARG  12  13.000   4.731   8.895
   65    HG2  ARG  12          1HG       ARG  12  11.065   3.880   7.511
   66    HG3  ARG  12          2HG       ARG  12  10.715   5.561   7.049
   67    HD2  ARG  12          1HD       ARG  12  13.057   5.734   6.135
   68    HD3  ARG  12          2HD       ARG  12  13.287   4.016   6.516
   69    HE   ARG  12           HE       ARG  12  10.949   4.657   4.822
   70   HH11  ARG  12          1HH1      ARG  12  14.345   3.751   4.697
   71   HH12  ARG  12          2HH1      ARG  12  14.215   3.181   3.056
   72   HH21  ARG  12          1HH2      ARG  12  10.852   3.936   2.778
   73   HH22  ARG  12          2HH2      ARG  12  12.279   3.285   1.990
   74    H    ASN  13           H        ASN  13   8.821   4.507   9.868
   75    HA   ASN  13           HA       ASN  13   9.546   1.927  11.212
   76    HB2  ASN  13          1HB       ASN  13   7.089   3.709  11.493
   77    HB3  ASN  13          2HB       ASN  13   7.220   2.095  12.182
   78   HD21  ASN  13          1HD2      ASN  13   6.677   4.296  13.787
   79   HD22  ASN  13          2HD2      ASN  13   8.091   4.580  14.807
   80    H    GLN  14           H        GLN  14   8.720   0.030  10.483
   81    HA   GLN  14           HA       GLN  14   7.830  -0.279   7.808
   82    HB2  GLN  14          1HB       GLN  14   8.963  -1.992   9.284
   83    HB3  GLN  14          2HB       GLN  14   7.464  -2.144  10.192
   84    HG2  GLN  14          1HG       GLN  14   7.558  -3.990   8.712
   85    HG3  GLN  14          2HG       GLN  14   6.322  -2.922   8.076
   86   HE21  GLN  14          1HE2      GLN  14   7.014  -4.642   6.249
   87   HE22  GLN  14          2HE2      GLN  14   8.223  -4.013   5.130
   88    H    ASP  15           H        ASP  15   5.980   0.158  10.791
   89    HA   ASP  15           HA       ASP  15   3.385  -0.523   9.813
   90    HB2  ASP  15          1HB       ASP  15   4.280   1.337  12.050
   91    HB3  ASP  15          2HB       ASP  15   2.627   0.773  11.817
   92    H    ALA  16           H        ALA  16   5.299   2.316   9.134
   93    HA   ALA  16           HA       ALA  16   2.954   3.924   8.326
   94    HB1  ALA  16          1HB       ALA  16   4.555   5.657   7.845
   95    HB2  ALA  16          2HB       ALA  16   4.904   4.990   9.456
   96    HB3  ALA  16          3HB       ALA  16   5.917   4.538   8.064
   97    H    THR  17           H        THR  17   4.642   1.371   6.961
   98    HA   THR  17           HA       THR  17   3.976   2.231   4.184
   99    HB   THR  17           HB       THR  17   5.686  -0.119   5.042
  100    HG1  THR  17          1HG       THR  17   7.392   1.158   4.381
  101   HG21  THR  17          1HG2      THR  17   6.432  -0.112   2.667
  102   HG22  THR  17          2HG2      THR  17   5.293   1.192   2.306
  103   HG23  THR  17          3HG2      THR  17   4.695  -0.413   2.781
  104    H    VAL  18           H        VAL  18   2.399   1.205   3.082
  105    HA   VAL  18           HA       VAL  18   0.980  -1.075   4.400
  106    HB   VAL  18           HB       VAL  18  -0.982  -0.601   3.178
  107   HG11  VAL  18          1HG1      VAL  18   0.068   2.054   4.244
  108   HG12  VAL  18          2HG1      VAL  18  -1.622   1.571   4.076
  109   HG13  VAL  18          3HG1      VAL  18  -0.580   0.737   5.247
  110   HG21  VAL  18          1HG2      VAL  18  -1.272   1.336   1.696
  111   HG22  VAL  18          2HG2      VAL  18   0.452   1.713   1.851
  112   HG23  VAL  18          3HG2      VAL  18  -0.073   0.225   1.027
  113    H    TYR  19           H        TYR  19   0.536  -2.892   3.239
  114    HA   TYR  19           HA       TYR  19   2.118  -3.432   0.760
  115    HB2  TYR  19          1HB       TYR  19   2.591  -5.024   2.455
  116    HB3  TYR  19          2HB       TYR  19   0.914  -5.128   2.955
  117    HD1  TYR  19          1HD       TYR  19  -0.740  -6.448   1.736
  118    HD2  TYR  19          2HD       TYR  19   3.377  -6.302   0.455
  119    HE1  TYR  19          1HE       TYR  19  -1.104  -8.471   0.333
  120    HE2  TYR  19          2HE       TYR  19   3.020  -8.355  -0.903
  121    HH   TYR  19           HH       TYR  19   1.532  -9.954  -1.591
  122    H    VAL  20           H        VAL  20   1.077  -4.027  -1.089
  123    HA   VAL  20           HA       VAL  20  -1.906  -4.199  -1.146
  124    HB   VAL  20           HB       VAL  20  -0.220  -2.791  -3.258
  125   HG11  VAL  20          1HG1      VAL  20  -2.432  -2.088  -4.119
  126   HG12  VAL  20          2HG1      VAL  20  -2.304  -3.855  -4.088
  127   HG13  VAL  20          3HG1      VAL  20  -3.234  -3.019  -2.839
  128   HG21  VAL  20          1HG2      VAL  20  -1.274  -0.695  -2.519
  129   HG22  VAL  20          2HG2      VAL  20  -1.993  -1.536  -1.125
  130   HG23  VAL  20          3HG2      VAL  20  -0.231  -1.365  -1.268
  131    H    GLY  21           H        GLY  21  -2.313  -6.264  -1.693
  132    HA2  GLY  21          1HA       GLY  21  -0.545  -7.686  -3.664
  133    HA3  GLY  21          2HA       GLY  21  -1.527  -8.464  -2.432
  134    H    GLY  22           H        GLY  22  -1.415  -8.642  -5.458
  135    HA2  GLY  22          1HA       GLY  22  -3.162  -9.690  -6.711
  136    HA3  GLY  22          2HA       GLY  22  -4.381  -8.748  -5.853
  137    H    LEU  23           H        LEU  23  -1.418  -7.485  -7.368
  138    HA   LEU  23           HA       LEU  23  -2.882  -5.357  -8.721
  139    HB2  LEU  23          1HB       LEU  23   0.061  -6.150  -8.747
  140    HB3  LEU  23          2HB       LEU  23  -0.595  -4.646  -9.383
  141    HG   LEU  23           HG       LEU  23  -0.539  -5.500  -6.458
  142   HD11  LEU  23          1HD1      LEU  23   0.864  -3.250  -7.949
  143   HD12  LEU  23          2HD1      LEU  23   1.612  -4.774  -7.441
  144   HD13  LEU  23          3HD1      LEU  23   1.005  -3.633  -6.222
  145   HD21  LEU  23          1HD2      LEU  23  -2.529  -4.232  -6.654
  146   HD22  LEU  23          2HD2      LEU  23  -1.813  -3.096  -7.809
  147   HD23  LEU  23          3HD2      LEU  23  -1.303  -3.075  -6.111
  148    H    ASP  24           H        ASP  24  -2.170  -4.824 -11.040
  149    HA   ASP  24           HA       ASP  24  -2.105  -7.251 -12.738
  150    HB2  ASP  24          1HB       ASP  24  -4.464  -6.124 -12.360
  151    HB3  ASP  24          2HB       ASP  24  -3.862  -4.884 -13.450
  152    H    GLU  25           H        GLU  25  -1.544  -6.722 -15.085
  153    HA   GLU  25           HA       GLU  25   1.024  -5.642 -15.032
  154    HB2  GLU  25          1HB       GLU  25   1.128  -6.103 -17.373
  155    HB3  GLU  25          2HB       GLU  25   0.186  -7.366 -16.585
  156    HG2  GLU  25          1HG       GLU  25  -1.922  -6.218 -17.363
  157    HG3  GLU  25          2HG       GLU  25  -0.932  -5.027 -18.201
  158    H    LYS  26           H        LYS  26  -1.839  -3.791 -15.478
  159    HA   LYS  26           HA       LYS  26  -0.507  -1.497 -16.775
  160    HB2  LYS  26          1HB       LYS  26  -3.330  -1.775 -15.662
  161    HB3  LYS  26          2HB       LYS  26  -2.693  -0.417 -16.584
  162    HG2  LYS  26          1HG       LYS  26  -3.643  -1.475 -18.338
  163    HG3  LYS  26          2HG       LYS  26  -2.106  -2.323 -18.366
  164    HD2  LYS  26          1HD       LYS  26  -3.809  -3.951 -18.637
  165    HD3  LYS  26          2HD       LYS  26  -3.215  -4.165 -16.987
  166    HE2  LYS  26          1HE       LYS  26  -5.146  -2.875 -16.121
  167    HE3  LYS  26          2HE       LYS  26  -5.727  -2.623 -17.773
  168    HZ1  LYS  26          1HZ       LYS  26  -5.971  -5.040 -17.983
  169    HZ2  LYS  26          2HZ       LYS  26  -6.837  -4.522 -16.699
  170    HZ3  LYS  26          3HZ       LYS  26  -5.399  -5.280 -16.467
  171    H    VAL  27           H        VAL  27  -0.819  -2.595 -13.547
  172    HA   VAL  27           HA       VAL  27  -0.861   0.001 -12.225
  173    HB   VAL  27           HB       VAL  27  -0.094  -2.737 -11.131
  174   HG11  VAL  27          1HG1      VAL  27   0.813  -0.953  -9.702
  175   HG12  VAL  27          2HG1      VAL  27  -0.764  -0.146  -9.674
  176   HG13  VAL  27          3HG1      VAL  27  -0.552  -1.732  -8.932
  177   HG21  VAL  27          1HG2      VAL  27  -2.369  -2.712 -10.123
  178   HG22  VAL  27          2HG2      VAL  27  -2.723  -1.192 -10.953
  179   HG23  VAL  27          3HG2      VAL  27  -2.458  -2.682 -11.885
  180    H    SER  28           H        SER  28   0.806   1.246 -11.505
  181    HA   SER  28           HA       SER  28   3.610   0.275 -11.749
  182    HB2  SER  28          1HB       SER  28   4.286   2.330 -12.821
  183    HB3  SER  28          2HB       SER  28   3.003   1.581 -13.781
  184    HG   SER  28           HG       SER  28   2.574   3.787 -13.535
  185    H    GLU  29           H        GLU  29   5.173   1.588 -10.484
  186    HA   GLU  29           HA       GLU  29   4.241   2.131  -7.856
  187    HB2  GLU  29          1HB       GLU  29   6.800   2.605  -9.394
  188    HB3  GLU  29          2HB       GLU  29   6.623   3.450  -7.869
  189    HG2  GLU  29          1HG       GLU  29   6.757   1.577  -6.591
  190    HG3  GLU  29          2HG       GLU  29   5.905   0.582  -7.744
  191    HA   PRO  30           HA       PRO  30   4.078   6.842  -8.955
  192    HB2  PRO  30          1HB       PRO  30   3.357   6.552 -11.876
  193    HB3  PRO  30          2HB       PRO  30   4.164   7.919 -11.042
  194    HG2  PRO  30          1HG       PRO  30   5.644   6.168 -12.466
  195    HG3  PRO  30          2HG       PRO  30   6.208   6.667 -10.834
  196    HD2  PRO  30          1HD       PRO  30   4.706   4.155 -11.616
  197    HD3  PRO  30          2HD       PRO  30   6.161   4.323 -10.593
  198    H    LEU  31           H        LEU  31   2.004   4.320 -10.481
  199    HA   LEU  31           HA       LEU  31  -0.462   5.828 -10.150
  200    HB2  LEU  31          1HB       LEU  31  -0.243   3.911 -11.755
  201    HB3  LEU  31          2HB       LEU  31  -0.024   2.822 -10.389
  202    HG   LEU  31           HG       LEU  31  -2.334   3.546  -9.530
  203   HD11  LEU  31          1HD1      LEU  31  -2.466   4.694 -12.344
  204   HD12  LEU  31          2HD1      LEU  31  -2.564   5.621 -10.824
  205   HD13  LEU  31          3HD1      LEU  31  -3.849   4.478 -11.243
  206   HD21  LEU  31          1HD2      LEU  31  -2.045   2.161 -12.223
  207   HD22  LEU  31          2HD2      LEU  31  -3.496   2.109 -11.201
  208   HD23  LEU  31          3HD2      LEU  31  -1.985   1.413 -10.603
  209    H    LEU  32           H        LEU  32   1.146   3.190  -8.309
  210    HA   LEU  32           HA       LEU  32  -0.727   3.172  -6.154
  211    HB2  LEU  32          1HB       LEU  32   2.252   2.498  -6.062
  212    HB3  LEU  32          2HB       LEU  32   1.036   2.070  -4.860
  213    HG   LEU  32           HG       LEU  32   1.346   0.972  -7.646
  214   HD11  LEU  32          1HD1      LEU  32   1.499  -1.140  -6.428
  215   HD12  LEU  32          2HD1      LEU  32   1.154  -0.314  -4.887
  216   HD13  LEU  32          3HD1      LEU  32   2.672   0.020  -5.761
  217   HD21  LEU  32          1HD2      LEU  32  -1.028   1.255  -7.429
  218   HD22  LEU  32          2HD2      LEU  32  -1.003   0.701  -5.731
  219   HD23  LEU  32          3HD2      LEU  32  -0.685  -0.442  -7.047
  220    H    TRP  33           H        TRP  33   1.934   5.359  -6.764
  221    HA   TRP  33           HA       TRP  33   1.823   6.618  -4.155
  222    HB2  TRP  33          1HB       TRP  33   3.700   6.668  -5.874
  223    HB3  TRP  33          2HB       TRP  33   2.780   7.845  -6.773
  224    HD1  TRP  33           HD       TRP  33   1.926   9.777  -4.338
  225    HE1  TRP  33          1HE       TRP  33   3.733  11.184  -3.159
  226    HE3  TRP  33          3HE       TRP  33   6.009   7.060  -5.671
  227    HZ2  TRP  33          2HZ       TRP  33   6.622  11.180  -2.927
  228    HZ3  TRP  33          3HZ       TRP  33   8.312   7.793  -5.002
  229    HH2  TRP  33           HH       TRP  33   8.615   9.851  -3.639
  230    H    GLU  34           H        GLU  34   0.755   7.899  -7.325
  231    HA   GLU  34           HA       GLU  34  -0.686  10.070  -6.190
  232    HB2  GLU  34          1HB       GLU  34  -0.920   8.774  -8.941
  233    HB3  GLU  34          2HB       GLU  34  -1.681  10.305  -8.477
  234    HG2  GLU  34          1HG       GLU  34   0.594  11.153  -7.808
  235    HG3  GLU  34          2HG       GLU  34   1.310   9.728  -8.549
  236    H    LEU  35           H        LEU  35  -1.881   6.838  -6.952
  237    HA   LEU  35           HA       LEU  35  -4.683   7.454  -6.625
  238    HB2  LEU  35          1HB       LEU  35  -3.529   5.371  -7.716
  239    HB3  LEU  35          2HB       LEU  35  -3.385   4.778  -6.056
  240    HG   LEU  35           HG       LEU  35  -5.954   5.170  -5.948
  241   HD11  LEU  35          1HD1      LEU  35  -7.128   4.947  -8.087
  242   HD12  LEU  35          2HD1      LEU  35  -5.583   5.034  -8.961
  243   HD13  LEU  35          3HD1      LEU  35  -6.179   6.441  -8.051
  244   HD21  LEU  35          1HD2      LEU  35  -4.774   2.972  -7.677
  245   HD22  LEU  35          2HD2      LEU  35  -6.373   2.940  -6.887
  246   HD23  LEU  35          3HD2      LEU  35  -4.907   2.969  -5.901
  247    H    PHE  36           H        PHE  36  -2.105   6.674  -4.312
  248    HA   PHE  36           HA       PHE  36  -4.000   6.235  -2.089
  249    HB2  PHE  36          1HB       PHE  36  -1.065   5.803  -2.542
  250    HB3  PHE  36          2HB       PHE  36  -1.677   5.858  -0.935
  251    HD1  PHE  36          1HD       PHE  36  -2.361   4.071  -4.192
  252    HD2  PHE  36          2HD       PHE  36  -2.442   3.901   0.105
  253    HE1  PHE  36          1HE       PHE  36  -3.033   1.687  -4.303
  254    HE2  PHE  36          2HE       PHE  36  -3.161   1.528  -0.002
  255    HZ   PHE  36           HZ       PHE  36  -3.478   0.423  -2.206
  256    H    LEU  37           H        LEU  37  -2.268   8.917  -3.379
  257    HA   LEU  37           HA       LEU  37  -1.952  10.554  -1.095
  258    HB2  LEU  37          1HB       LEU  37  -2.762  11.163  -3.961
  259    HB3  LEU  37          2HB       LEU  37  -2.485  12.429  -2.773
  260    HG   LEU  37           HG       LEU  37  -0.386  10.447  -3.701
  261   HD11  LEU  37          1HD1      LEU  37  -0.666  13.439  -4.181
  262   HD12  LEU  37          2HD1      LEU  37  -1.042  12.182  -5.375
  263   HD13  LEU  37          3HD1      LEU  37   0.623  12.378  -4.795
  264   HD21  LEU  37          1HD2      LEU  37   1.184  11.935  -2.458
  265   HD22  LEU  37          2HD2      LEU  37   0.040  11.104  -1.395
  266   HD23  LEU  37          3HD2      LEU  37  -0.217  12.812  -1.792
  267    H    GLN  38           H        GLN  38  -4.881   9.392  -2.430
  268    HA   GLN  38           HA       GLN  38  -6.771  11.284  -1.368
  269    HB2  GLN  38          1HB       GLN  38  -7.132   8.282  -1.782
  270    HB3  GLN  38          2HB       GLN  38  -8.411   9.498  -1.647
  271    HG2  GLN  38          1HG       GLN  38  -7.524  10.590  -3.739
  272    HG3  GLN  38          2HG       GLN  38  -6.340   9.272  -3.843
  273   HE21  GLN  38          1HE2      GLN  38  -7.034   7.183  -4.494
  274   HE22  GLN  38          2HE2      GLN  38  -8.658   6.911  -5.145
  275    H    ALA  39           H        ALA  39  -5.045   8.539   0.097
  276    HA   ALA  39           HA       ALA  39  -6.653   8.556   2.545
  277    HB1  ALA  39          1HB       ALA  39  -3.978   7.238   1.928
  278    HB2  ALA  39          2HB       ALA  39  -5.048   6.885   3.295
  279    HB3  ALA  39          3HB       ALA  39  -5.560   6.504   1.634
  280    H    GLY  40           H        GLY  40  -3.374   9.650   1.614
  281    HA2  GLY  40          1HA       GLY  40  -3.278  11.920   3.329
  282    HA3  GLY  40          2HA       GLY  40  -2.504  10.555   4.142
  283    HA   PRO  41           HA       PRO  41   0.553  12.742   1.323
  284    HB2  PRO  41          1HB       PRO  41   2.518  13.243   3.178
  285    HB3  PRO  41          2HB       PRO  41   1.115  14.315   2.892
  286    HG2  PRO  41          1HG       PRO  41   1.400  12.174   5.020
  287    HG3  PRO  41          2HG       PRO  41   0.882  13.875   5.233
  288    HD2  PRO  41          1HD       PRO  41  -0.892  11.829   5.021
  289    HD3  PRO  41          2HD       PRO  41  -1.245  13.398   4.241
  290    H    VAL  42           H        VAL  42   1.237  11.130   0.091
  291    HA   VAL  42           HA       VAL  42   2.686   8.781   1.126
  292    HB   VAL  42           HB       VAL  42   1.990   9.566  -1.720
  293   HG11  VAL  42          1HG1      VAL  42   3.200   7.004  -0.587
  294   HG12  VAL  42          2HG1      VAL  42   2.568   7.186  -2.231
  295   HG13  VAL  42          3HG1      VAL  42   3.969   8.120  -1.736
  296   HG21  VAL  42          1HG2      VAL  42  -0.015   8.973  -0.376
  297   HG22  VAL  42          2HG2      VAL  42   0.341   7.754  -1.600
  298   HG23  VAL  42          3HG2      VAL  42   0.770   7.451   0.098
  299    H    VAL  43           H        VAL  43   4.767   8.485   1.067
  300    HA   VAL  43           HA       VAL  43   6.573  10.757   0.358
  301    HB   VAL  43           HB       VAL  43   7.114   8.440   2.254
  302   HG11  VAL  43          1HG1      VAL  43   8.674  10.049   3.320
  303   HG12  VAL  43          2HG1      VAL  43   9.110   9.734   1.633
  304   HG13  VAL  43          3HG1      VAL  43   8.283  11.252   2.077
  305   HG21  VAL  43          1HG2      VAL  43   5.117   9.541   3.099
  306   HG22  VAL  43          2HG2      VAL  43   6.503   9.930   4.112
  307   HG23  VAL  43          3HG2      VAL  43   5.887  11.139   2.954
  308    H    ASN  44           H        ASN  44   6.091   7.291  -0.106
  309    HA   ASN  44           HA       ASN  44   8.032   7.095  -2.279
  310    HB2  ASN  44          1HB       ASN  44   9.572   7.001  -0.425
  311    HB3  ASN  44          2HB       ASN  44   8.531   5.943   0.494
  312   HD21  ASN  44          1HD2      ASN  44   9.485   4.008   0.702
  313   HD22  ASN  44          2HD2      ASN  44  10.305   3.155  -0.620
  314    H    THR  45           H        THR  45   7.962   4.960  -3.319
  315    HA   THR  45           HA       THR  45   5.869   3.046  -2.467
  316    HB   THR  45           HB       THR  45   5.347   2.689  -4.965
  317    HG1  THR  45          1HG       THR  45   5.390   4.645  -6.141
  318   HG21  THR  45          1HG2      THR  45   3.745   3.594  -3.320
  319   HG22  THR  45          2HG2      THR  45   3.522   4.159  -4.970
  320   HG23  THR  45          3HG2      THR  45   4.269   5.241  -3.755
  321    H    HIS  46           H        HIS  46   6.156   0.885  -3.285
  322    HA   HIS  46           HA       HIS  46   8.684   0.316  -4.721
  323    HB2  HIS  46          1HB       HIS  46   8.978   0.195  -2.107
  324    HB3  HIS  46          2HB       HIS  46   7.996  -1.250  -2.221
  325    HD2  HIS  46          2HD       HIS  46  11.506   0.021  -2.911
  326    HE1  HIS  46          1HE       HIS  46  11.466  -4.014  -4.293
  327    HE2  HIS  46          2HE       HIS  46  12.948  -2.004  -3.788
  328    H    MET  47           H        MET  47   8.357  -1.230  -6.258
  329    HA   MET  47           HA       MET  47   6.310  -3.360  -5.757
  330    HB2  MET  47          1HB       MET  47   6.574  -1.720  -8.287
  331    HB3  MET  47          2HB       MET  47   5.836  -3.323  -8.243
  332    HG2  MET  47          1HG       MET  47   4.140  -2.628  -6.714
  333    HG3  MET  47          2HG       MET  47   4.913  -1.070  -6.435
  334    HE1  MET  47          1HE       MET  47   4.307  -2.753 -10.049
  335    HE2  MET  47          2HE       MET  47   3.098  -3.361  -8.890
  336    HE3  MET  47          3HE       MET  47   2.605  -2.292 -10.230
  337    HA   PRO  48           HA       PRO  48  10.275  -5.436  -6.534
  338    HB2  PRO  48          1HB       PRO  48   8.471  -7.760  -5.813
  339    HB3  PRO  48          2HB       PRO  48  10.182  -7.477  -5.352
  340    HG2  PRO  48          1HG       PRO  48   8.241  -6.904  -3.578
  341    HG3  PRO  48          2HG       PRO  48   9.547  -5.710  -3.840
  342    HD2  PRO  48          1HD       PRO  48   6.757  -5.732  -5.040
  343    HD3  PRO  48          2HD       PRO  48   7.632  -4.369  -4.270
  344    H    LYS  49           H        LYS  49  11.067  -6.392  -8.368
  345    HA   LYS  49           HA       LYS  49   9.137  -6.913 -10.583
  346    HB2  LYS  49          1HB       LYS  49  12.084  -6.220 -10.768
  347    HB3  LYS  49          2HB       LYS  49  10.943  -6.346 -12.100
  348    HG2  LYS  49          1HG       LYS  49  10.982  -4.228  -9.918
  349    HG3  LYS  49          2HG       LYS  49  11.397  -4.028 -11.620
  350    HD2  LYS  49          1HD       LYS  49   9.006  -4.631 -12.207
  351    HD3  LYS  49          2HD       LYS  49   8.625  -4.584 -10.481
  352    HE2  LYS  49          1HE       LYS  49   9.609  -2.268 -12.209
  353    HE3  LYS  49          2HE       LYS  49   7.988  -2.495 -11.551
  354    HZ1  LYS  49          1HZ       LYS  49   9.015  -1.009 -10.066
  355    HZ2  LYS  49          2HZ       LYS  49  10.442  -1.824 -10.048
  356    HZ3  LYS  49          3HZ       LYS  49   9.130  -2.439  -9.291
  357    H    ASP  50           H        ASP  50   9.417  -8.522 -12.065
  358    HA   ASP  50           HA       ASP  50  10.366 -11.090 -11.068
  359    HB2  ASP  50          1HB       ASP  50   8.246 -10.731 -12.346
  360    HB3  ASP  50          2HB       ASP  50   9.198 -10.250 -13.746
  361    H    ARG  51           H        ARG  51  12.075 -12.342 -11.876
  362    HA   ARG  51           HA       ARG  51  14.285 -10.819 -13.057
  363    HB2  ARG  51          1HB       ARG  51  15.705 -12.599 -12.345
  364    HB3  ARG  51          2HB       ARG  51  14.601 -12.172 -11.040
  365    HG2  ARG  51          1HG       ARG  51  13.179 -14.167 -11.647
  366    HG3  ARG  51          2HG       ARG  51  14.385 -14.600 -12.878
  367    HD2  ARG  51          1HD       ARG  51  16.118 -14.778 -11.130
  368    HD3  ARG  51          2HD       ARG  51  14.920 -14.341  -9.893
  369    HE   ARG  51           HE       ARG  51  13.932 -16.578 -11.356
  370   HH11  ARG  51          1HH1      ARG  51  16.486 -15.927  -9.048
  371   HH12  ARG  51          2HH1      ARG  51  16.488 -17.564  -8.449
  372   HH21  ARG  51          1HH2      ARG  51  13.984 -18.647 -10.547
  373   HH22  ARG  51          2HH2      ARG  51  15.105 -19.059  -9.282
  374    H    VAL  52           H        VAL  52  11.883 -12.267 -14.682
  375    HA   VAL  52           HA       VAL  52  13.637 -13.120 -16.955
  376    HB   VAL  52           HB       VAL  52  11.052 -14.510 -16.139
  377   HG11  VAL  52          1HG1      VAL  52  13.229 -15.251 -18.145
  378   HG12  VAL  52          2HG1      VAL  52  11.817 -16.247 -17.730
  379   HG13  VAL  52          3HG1      VAL  52  11.585 -14.699 -18.540
  380   HG21  VAL  52          1HG2      VAL  52  12.505 -16.444 -15.499
  381   HG22  VAL  52          2HG2      VAL  52  13.928 -15.387 -15.639
  382   HG23  VAL  52          3HG2      VAL  52  12.667 -15.064 -14.420
  383    H    THR  53           H        THR  53  10.419 -11.897 -15.904
  384    HA   THR  53           HA       THR  53   9.864 -10.984 -18.678
  385    HB   THR  53           HB       THR  53   7.553 -10.617 -17.894
  386    HG1  THR  53          1HG       THR  53   7.044 -11.572 -15.838
  387   HG21  THR  53          1HG2      THR  53   8.208 -12.842 -18.843
  388   HG22  THR  53          2HG2      THR  53   6.884 -12.948 -17.670
  389   HG23  THR  53          3HG2      THR  53   8.530 -13.425 -17.195
  390    H    GLY  54           H        GLY  54  10.765  -9.810 -15.556
  391    HA2  GLY  54          1HA       GLY  54  11.551  -7.762 -14.954
  392    HA3  GLY  54          2HA       GLY  54  11.329  -7.255 -16.623
  393    H    GLN  55           H        GLN  55   8.333  -8.242 -15.642
  394    HA   GLN  55           HA       GLN  55   7.372  -5.547 -14.859
  395    HB2  GLN  55          1HB       GLN  55   5.130  -6.500 -15.137
  396    HB3  GLN  55          2HB       GLN  55   6.112  -6.626 -16.593
  397    HG2  GLN  55          1HG       GLN  55   6.489  -8.992 -16.232
  398    HG3  GLN  55          2HG       GLN  55   5.693  -8.945 -14.657
  399   HE21  GLN  55          1HE2      GLN  55   5.119  -8.546 -18.198
  400   HE22  GLN  55          2HE2      GLN  55   3.409  -8.934 -18.090
  401    H    HIS  56           H        HIS  56   5.530  -5.731 -13.025
  402    HA   HIS  56           HA       HIS  56   7.006  -6.445 -10.649
  403    HB2  HIS  56          1HB       HIS  56   5.143  -5.581  -9.408
  404    HB3  HIS  56          2HB       HIS  56   5.550  -4.502 -10.738
  405    HD2  HIS  56          2HD       HIS  56   3.606  -3.895 -12.416
  406    HE1  HIS  56          1HE       HIS  56   0.658  -6.639 -11.028
  407    HE2  HIS  56          2HE       HIS  56   1.081  -4.653 -12.545
  408    H    GLN  57           H        GLN  57   6.358  -7.807  -8.918
  409    HA   GLN  57           HA       GLN  57   5.640 -10.473  -9.837
  410    HB2  GLN  57          1HB       GLN  57   6.452  -9.424  -7.104
  411    HB3  GLN  57          2HB       GLN  57   6.216 -11.129  -7.511
  412    HG2  GLN  57          1HG       GLN  57   8.012 -10.952  -9.244
  413    HG3  GLN  57          2HG       GLN  57   8.309  -9.294  -8.732
  414   HE21  GLN  57          1HE2      GLN  57  10.573 -10.007  -8.207
  415   HE22  GLN  57          2HE2      GLN  57  10.817 -10.889  -6.704
  416    H    GLY  58           H        GLY  58   3.413  -8.295  -9.557
  417    HA2  GLY  58          1HA       GLY  58   1.118  -8.580  -9.336
  418    HA3  GLY  58          2HA       GLY  58   1.356 -10.098  -8.478
  419    H    TYR  59           H        TYR  59   3.291  -7.792  -6.963
  420    HA   TYR  59           HA       TYR  59   1.172  -6.605  -5.300
  421    HB2  TYR  59          1HB       TYR  59   2.080  -7.341  -3.223
  422    HB3  TYR  59          2HB       TYR  59   1.719  -8.744  -4.203
  423    HD1  TYR  59          1HD       TYR  59   4.314  -6.869  -2.451
  424    HD2  TYR  59          2HD       TYR  59   3.600 -10.041  -5.291
  425    HE1  TYR  59          1HE       TYR  59   6.590  -7.774  -2.020
  426    HE2  TYR  59          2HE       TYR  59   5.909 -10.892  -4.915
  427    HH   TYR  59           HH       TYR  59   8.134  -9.382  -2.539
  428    H    GLY  60           H        GLY  60   1.928  -4.958  -3.854
  429    HA2  GLY  60          1HA       GLY  60   4.518  -3.639  -4.421
  430    HA3  GLY  60          2HA       GLY  60   3.037  -2.790  -4.871
  431    H    PHE  61           H        PHE  61   4.429  -1.405  -3.282
  432    HA   PHE  61           HA       PHE  61   3.069  -1.457  -0.656
  433    HB2  PHE  61          1HB       PHE  61   6.043  -1.005  -1.096
  434    HB3  PHE  61          2HB       PHE  61   5.207  -0.847   0.428
  435    HD1  PHE  61          1HD       PHE  61   4.532  -2.802   1.741
  436    HD2  PHE  61          2HD       PHE  61   6.572  -3.228  -2.033
  437    HE1  PHE  61          1HE       PHE  61   5.122  -5.148   2.321
  438    HE2  PHE  61          2HE       PHE  61   7.147  -5.569  -1.460
  439    HZ   PHE  61           HZ       PHE  61   6.419  -6.538   0.717
  440    H    VAL  62           H        VAL  62   2.826   0.550   0.334
  441    HA   VAL  62           HA       VAL  62   3.735   3.001  -1.114
  442    HB   VAL  62           HB       VAL  62   0.933   2.758   0.039
  443   HG11  VAL  62          1HG1      VAL  62   2.253   4.832  -1.744
  444   HG12  VAL  62          2HG1      VAL  62   0.566   4.837  -1.203
  445   HG13  VAL  62          3HG1      VAL  62   1.849   5.032  -0.017
  446   HG21  VAL  62          1HG2      VAL  62   0.133   2.779  -2.316
  447   HG22  VAL  62          2HG2      VAL  62   1.806   2.512  -2.848
  448   HG23  VAL  62          3HG2      VAL  62   0.957   1.282  -1.886
  449    H    GLU  63           H        GLU  63   4.692   4.431   0.201
  450    HA   GLU  63           HA       GLU  63   4.602   3.935   3.145
  451    HB2  GLU  63          1HB       GLU  63   6.729   3.628   1.910
  452    HB3  GLU  63          2HB       GLU  63   6.669   5.350   1.463
  453    HG2  GLU  63          1HG       GLU  63   6.850   6.047   3.754
  454    HG3  GLU  63          2HG       GLU  63   6.652   4.393   4.342
  455    H    PHE  64           H        PHE  64   3.678   5.364   4.434
  456    HA   PHE  64           HA       PHE  64   2.938   8.057   3.405
  457    HB2  PHE  64          1HB       PHE  64   1.830   6.296   5.610
  458    HB3  PHE  64          2HB       PHE  64   1.397   7.984   5.420
  459    HD1  PHE  64          1HD       PHE  64   0.108   8.804   3.544
  460    HD2  PHE  64          2HD       PHE  64   1.093   4.627   3.898
  461    HE1  PHE  64          1HE       PHE  64  -1.608   8.253   1.823
  462    HE2  PHE  64          2HE       PHE  64  -0.631   4.078   2.177
  463    HZ   PHE  64           HZ       PHE  64  -2.005   5.919   1.169
  464    H    LEU  65           H        LEU  65   3.046   9.873   4.788
  465    HA   LEU  65           HA       LEU  65   5.524  10.273   6.083
  466    HB2  LEU  65          1HB       LEU  65   3.839  11.971   5.093
  467    HB3  LEU  65          2HB       LEU  65   2.970  11.815   6.626
  468    HG   LEU  65           HG       LEU  65   5.165  12.499   7.779
  469   HD11  LEU  65          1HD1      LEU  65   6.705  13.849   6.354
  470   HD12  LEU  65          2HD1      LEU  65   5.837  13.302   4.909
  471   HD13  LEU  65          3HD1      LEU  65   6.732  12.137   5.911
  472   HD21  LEU  65          1HD2      LEU  65   4.775  14.898   7.332
  473   HD22  LEU  65          2HD2      LEU  65   3.243  14.030   7.502
  474   HD23  LEU  65          3HD2      LEU  65   3.826  14.484   5.885
  475    H    SER  66           H        SER  66   2.410   9.281   7.441
  476    HA   SER  66           HA       SER  66   3.703   8.577  10.037
  477    HB2  SER  66          1HB       SER  66   1.061  10.063   9.903
  478    HB3  SER  66          2HB       SER  66   2.008   9.631  11.331
  479    HG   SER  66           HG       SER  66   2.236  11.844  10.765
  480    H    GLU  67           H        GLU  67   2.660   7.103  11.272
  481    HA   GLU  67           HA       GLU  67   1.673   4.852   9.872
  482    HB2  GLU  67          1HB       GLU  67   1.633   5.670  12.791
  483    HB3  GLU  67          2HB       GLU  67   1.182   4.064  12.210
  484    HG2  GLU  67          1HG       GLU  67   3.400   3.679  11.293
  485    HG3  GLU  67          2HG       GLU  67   3.901   5.320  11.698
  486    H    GLU  68           H        GLU  68  -0.146   7.402  11.590
  487    HA   GLU  68           HA       GLU  68  -2.701   6.085  11.450
  488    HB2  GLU  68          1HB       GLU  68  -3.622   8.245  12.087
  489    HB3  GLU  68          2HB       GLU  68  -2.215   7.835  13.065
  490    HG2  GLU  68          1HG       GLU  68  -0.817   9.353  11.602
  491    HG3  GLU  68          2HG       GLU  68  -2.289   9.815  10.745
  492    H    ASP  69           H        ASP  69  -0.911   7.905   9.049
  493    HA   ASP  69           HA       ASP  69  -3.218   8.294   7.260
  494    HB2  ASP  69          1HB       ASP  69  -0.222   8.668   6.920
  495    HB3  ASP  69          2HB       ASP  69  -1.381   8.969   5.647
  496    H    ALA  70           H        ALA  70  -0.622   5.900   7.742
  497    HA   ALA  70           HA       ALA  70  -1.257   4.334   5.371
  498    HB1  ALA  70          1HB       ALA  70   0.235   3.667   7.961
  499    HB2  ALA  70          2HB       ALA  70   0.195   2.647   6.524
  500    HB3  ALA  70          3HB       ALA  70   0.956   4.245   6.448
  501    H    ASP  71           H        ASP  71  -2.147   4.132   8.849
  502    HA   ASP  71           HA       ASP  71  -3.757   1.827   8.729
  503    HB2  ASP  71          1HB       ASP  71  -2.878   3.376  10.707
  504    HB3  ASP  71          2HB       ASP  71  -4.482   4.086  10.576
  505    H    TYR  72           H        TYR  72  -4.572   5.140   7.829
  506    HA   TYR  72           HA       TYR  72  -7.420   4.594   7.413
  507    HB2  TYR  72          1HB       TYR  72  -6.501   6.821   8.085
  508    HB3  TYR  72          2HB       TYR  72  -5.711   6.935   6.511
  509    HD1  TYR  72          1HD       TYR  72  -6.885   7.916   4.718
  510    HD2  TYR  72          2HD       TYR  72  -9.100   6.389   8.081
  511    HE1  TYR  72          1HE       TYR  72  -8.993   8.795   3.717
  512    HE2  TYR  72          2HE       TYR  72 -11.215   7.261   7.080
  513    HH   TYR  72           HH       TYR  72 -11.264   9.013   3.954
  514    H    ALA  73           H        ALA  73  -4.489   4.649   5.340
  515    HA   ALA  73           HA       ALA  73  -5.892   4.528   2.816
  516    HB1  ALA  73          1HB       ALA  73  -3.734   3.919   1.936
  517    HB2  ALA  73          2HB       ALA  73  -3.485   5.164   3.175
  518    HB3  ALA  73          3HB       ALA  73  -3.125   3.469   3.546
  519    H    ILE  74           H        ILE  74  -4.771   2.044   5.094
  520    HA   ILE  74           HA       ILE  74  -5.605  -0.281   3.649
  521    HB   ILE  74           HB       ILE  74  -5.398   0.305   6.633
  522   HG12  ILE  74          1HG1      ILE  74  -3.435  -1.250   4.904
  523   HG13  ILE  74          2HG1      ILE  74  -3.326   0.504   5.082
  524   HG21  ILE  74          1HG2      ILE  74  -5.236  -2.195   6.909
  525   HG22  ILE  74          2HG2      ILE  74  -6.819  -1.664   6.372
  526   HG23  ILE  74          3HG2      ILE  74  -5.690  -2.369   5.201
  527   HD11  ILE  74          1HD1      ILE  74  -3.196  -1.443   7.395
  528   HD12  ILE  74          2HD1      ILE  74  -1.829  -0.625   6.611
  529   HD13  ILE  74          3HD1      ILE  74  -3.044   0.329   7.457
  530    H    LYS  75           H        LYS  75  -7.410   1.869   5.873
  531    HA   LYS  75           HA       LYS  75  -9.824   0.348   5.966
  532    HB2  LYS  75          1HB       LYS  75  -9.213   2.106   7.565
  533    HB3  LYS  75          2HB       LYS  75  -9.382   3.347   6.320
  534    HG2  LYS  75          1HG       LYS  75 -11.748   2.901   6.071
  535    HG3  LYS  75          2HG       LYS  75 -11.654   1.546   7.195
  536    HD2  LYS  75          1HD       LYS  75 -11.117   4.484   7.834
  537    HD3  LYS  75          2HD       LYS  75 -12.613   3.635   8.199
  538    HE2  LYS  75          1HE       LYS  75  -9.877   2.962   9.385
  539    HE3  LYS  75          2HE       LYS  75 -11.115   3.942  10.169
  540    HZ1  LYS  75          1HZ       LYS  75 -11.228   1.661  10.939
  541    HZ2  LYS  75          2HZ       LYS  75 -11.445   1.082   9.431
  542    HZ3  LYS  75          3HZ       LYS  75 -12.598   2.008  10.128
  543    H    ILE  76           H        ILE  76  -8.805   2.872   3.643
  544    HA   ILE  76           HA       ILE  76 -11.368   2.582   2.220
  545    HB   ILE  76           HB       ILE  76 -10.666   4.448   0.868
  546   HG12  ILE  76          1HG1      ILE  76  -8.177   4.701   2.591
  547   HG13  ILE  76          2HG1      ILE  76  -8.182   4.061   0.962
  548   HG21  ILE  76          1HG2      ILE  76 -11.863   4.694   3.079
  549   HG22  ILE  76          2HG2      ILE  76 -10.289   5.019   3.845
  550   HG23  ILE  76          3HG2      ILE  76 -10.934   6.121   2.616
  551   HD11  ILE  76          1HD1      ILE  76  -8.874   6.871   1.830
  552   HD12  ILE  76          2HD1      ILE  76  -7.572   6.335   0.753
  553   HD13  ILE  76          3HD1      ILE  76  -9.246   6.248   0.200
  554    H    MET  77           H        MET  77  -8.004   1.590   1.545
  555    HA   MET  77           HA       MET  77  -8.745   0.964  -1.239
  556    HB2  MET  77          1HB       MET  77  -6.117   1.077   0.178
  557    HB3  MET  77          2HB       MET  77  -6.262   0.521  -1.478
  558    HG2  MET  77          1HG       MET  77  -7.431   3.187  -0.719
  559    HG3  MET  77          2HG       MET  77  -5.712   3.038  -0.974
  560    HE1  MET  77          1HE       MET  77  -5.386   4.515  -3.380
  561    HE2  MET  77          2HE       MET  77  -6.967   4.877  -4.105
  562    HE3  MET  77          3HE       MET  77  -6.747   5.066  -2.361
  563    H    ASP  78           H        ASP  78  -9.112  -0.810   1.423
  564    HA   ASP  78           HA       ASP  78  -8.068  -3.337   0.320
  565    HB2  ASP  78          1HB       ASP  78  -7.858  -2.896   2.749
  566    HB3  ASP  78          2HB       ASP  78  -9.624  -2.905   2.891
  567    H    MET  79           H        MET  79  -9.229  -5.007  -0.494
  568    HA   MET  79           HA       MET  79 -10.710  -5.950  -1.828
  569    HB2  MET  79          1HB       MET  79 -12.930  -4.898  -0.055
  570    HB3  MET  79          2HB       MET  79 -12.952  -6.300  -1.129
  571    HG2  MET  79          1HG       MET  79 -10.908  -7.114   0.305
  572    HG3  MET  79          2HG       MET  79 -11.476  -5.931   1.480
  573    HE1  MET  79          1HE       MET  79 -13.416  -9.914   0.234
  574    HE2  MET  79          2HE       MET  79 -13.132  -8.623  -0.956
  575    HE3  MET  79          3HE       MET  79 -11.760  -9.354  -0.099
  576    H    ILE  80           H        ILE  80 -10.103  -2.965  -2.240
  577    HA   ILE  80           HA       ILE  80 -12.159  -2.100  -4.127
  578    HB   ILE  80           HB       ILE  80  -9.559  -1.115  -3.072
  579   HG12  ILE  80          1HG1      ILE  80 -12.275   0.056  -3.705
  580   HG13  ILE  80          2HG1      ILE  80 -11.537  -0.247  -2.133
  581   HG21  ILE  80          1HG2      ILE  80  -8.948  -1.127  -5.425
  582   HG22  ILE  80          2HG2      ILE  80 -10.371  -0.104  -5.794
  583   HG23  ILE  80          3HG2      ILE  80  -9.046   0.469  -4.732
  584   HD11  ILE  80          1HD1      ILE  80  -9.818   1.572  -2.757
  585   HD12  ILE  80          2HD1      ILE  80 -10.864   1.945  -4.136
  586   HD13  ILE  80          3HD1      ILE  80 -11.487   2.115  -2.489
  587    H    LYS  81           H        LYS  81 -11.855  -1.971  -6.421
  588    HA   LYS  81           HA       LYS  81 -10.321  -4.290  -7.518
  589    HB2  LYS  81          1HB       LYS  81 -12.960  -3.065  -8.357
  590    HB3  LYS  81          2HB       LYS  81 -12.107  -4.348  -9.232
  591    HG2  LYS  81          1HG       LYS  81 -12.203  -5.742  -7.088
  592    HG3  LYS  81          2HG       LYS  81 -13.259  -4.498  -6.416
  593    HD2  LYS  81          1HD       LYS  81 -14.714  -6.177  -7.211
  594    HD3  LYS  81          2HD       LYS  81 -14.795  -4.888  -8.421
  595    HE2  LYS  81          1HE       LYS  81 -13.068  -6.167  -9.774
  596    HE3  LYS  81          2HE       LYS  81 -13.186  -7.472  -8.589
  597    HZ1  LYS  81          1HZ       LYS  81 -14.643  -7.878 -10.492
  598    HZ2  LYS  81          2HZ       LYS  81 -15.452  -6.483 -10.242
  599    HZ3  LYS  81          3HZ       LYS  81 -15.546  -7.692  -9.147
  600    H    LEU  82           H        LEU  82  -8.483  -2.785  -7.607
  601    HA   LEU  82           HA       LEU  82  -8.340  -0.630  -9.485
  602    HB2  LEU  82          1HB       LEU  82  -6.701  -1.168  -7.638
  603    HB3  LEU  82          2HB       LEU  82  -6.131  -2.539  -8.584
  604    HG   LEU  82           HG       LEU  82  -5.275  -1.043 -10.316
  605   HD11  LEU  82          1HD1      LEU  82  -5.261   1.452  -9.882
  606   HD12  LEU  82          2HD1      LEU  82  -6.471   1.183  -8.615
  607   HD13  LEU  82          3HD1      LEU  82  -6.841   0.811 -10.315
  608   HD21  LEU  82          1HD2      LEU  82  -3.867  -1.540  -8.336
  609   HD22  LEU  82          2HD2      LEU  82  -4.506  -0.098  -7.519
  610   HD23  LEU  82          3HD2      LEU  82  -3.523   0.071  -8.986
  611    H    TYR  83           H        TYR  83  -8.107  -0.618 -11.757
  612    HA   TYR  83           HA       TYR  83  -8.783  -1.463 -13.760
  613    HB2  TYR  83          1HB       TYR  83  -6.450  -3.312 -13.190
  614    HB3  TYR  83          2HB       TYR  83  -7.161  -3.045 -14.771
  615    HD1  TYR  83          1HD       TYR  83  -4.707  -1.860 -12.459
  616    HD2  TYR  83          2HD       TYR  83  -7.244  -0.672 -15.738
  617    HE1  TYR  83          1HE       TYR  83  -3.232   0.106 -12.902
  618    HE2  TYR  83          2HE       TYR  83  -5.766   1.276 -16.181
  619    HH   TYR  83           HH       TYR  83  -3.915   2.454 -15.519
  620    H    GLY  84           H        GLY  84 -10.440  -2.763 -11.624
  621    HA2  GLY  84          1HA       GLY  84 -12.231  -4.203 -11.738
  622    HA3  GLY  84          2HA       GLY  84 -11.743  -4.689 -13.360
  623    H    LYS  85           H        LYS  85  -9.765  -5.004 -10.424
  624    HA   LYS  85           HA       LYS  85  -9.915  -7.944 -10.340
  625    HB2  LYS  85          1HB       LYS  85  -8.174  -7.215 -12.008
  626    HB3  LYS  85          2HB       LYS  85  -7.349  -6.339 -10.719
  627    HG2  LYS  85          1HG       LYS  85  -7.079  -8.547  -9.488
  628    HG3  LYS  85          2HG       LYS  85  -7.810  -9.348 -10.900
  629    HD2  LYS  85          1HD       LYS  85  -6.018  -8.212 -12.322
  630    HD3  LYS  85          2HD       LYS  85  -5.242  -7.708 -10.805
  631    HE2  LYS  85          1HE       LYS  85  -5.016 -10.107 -10.159
  632    HE3  LYS  85          2HE       LYS  85  -5.787 -10.574 -11.686
  633    HZ1  LYS  85          1HZ       LYS  85  -3.943  -9.332 -12.826
  634    HZ2  LYS  85          2HZ       LYS  85  -3.422 -10.660 -11.996
  635    HZ3  LYS  85          3HZ       LYS  85  -3.200  -9.157 -11.374
  636    HA   PRO  86           HA       PRO  86 -10.100  -6.178  -6.248
  637    HB2  PRO  86          1HB       PRO  86 -10.426  -8.429  -4.701
  638    HB3  PRO  86          2HB       PRO  86 -11.700  -7.686  -5.721
  639    HG2  PRO  86          1HG       PRO  86  -9.893 -10.020  -6.397
  640    HG3  PRO  86          2HG       PRO  86 -11.667  -9.884  -6.624
  641    HD2  PRO  86          1HD       PRO  86  -9.925  -9.434  -8.654
  642    HD3  PRO  86          2HD       PRO  86 -11.397  -8.419  -8.490
  643    H    ILE  87           H        ILE  87  -8.539  -5.301  -5.137
  644    HA   ILE  87           HA       ILE  87  -6.000  -6.744  -4.604
  645    HB   ILE  87           HB       ILE  87  -5.099  -4.548  -3.928
  646   HG12  ILE  87          1HG1      ILE  87  -7.453  -3.228  -5.308
  647   HG13  ILE  87          2HG1      ILE  87  -7.439  -3.461  -3.557
  648   HG21  ILE  87          1HG2      ILE  87  -4.679  -5.505  -6.131
  649   HG22  ILE  87          2HG2      ILE  87  -6.152  -4.761  -6.782
  650   HG23  ILE  87          3HG2      ILE  87  -4.796  -3.748  -6.256
  651   HD11  ILE  87          1HD1      ILE  87  -6.679  -1.221  -4.127
  652   HD12  ILE  87          2HD1      ILE  87  -5.366  -2.142  -3.378
  653   HD13  ILE  87          3HD1      ILE  87  -5.378  -1.872  -5.138
  654    H    ARG  88           H        ARG  88  -5.136  -6.946  -2.579
  655    HA   ARG  88           HA       ARG  88  -6.922  -6.329  -0.252
  656    HB2  ARG  88          1HB       ARG  88  -4.883  -8.573  -0.456
  657    HB3  ARG  88          2HB       ARG  88  -5.800  -8.142   0.982
  658    HG2  ARG  88          1HG       ARG  88  -6.864  -9.333  -1.598
  659    HG3  ARG  88          2HG       ARG  88  -6.820 -10.068   0.000
  660    HD2  ARG  88          1HD       ARG  88  -8.602  -7.802  -0.953
  661    HD3  ARG  88          2HD       ARG  88  -9.097  -9.422  -0.511
  662    HE   ARG  88           HE       ARG  88  -8.407  -7.167   1.294
  663   HH11  ARG  88          1HH1      ARG  88  -9.073 -10.616   1.272
  664   HH12  ARG  88          2HH1      ARG  88  -9.630 -10.589   2.922
  665   HH21  ARG  88          1HH2      ARG  88  -9.232  -7.174   3.282
  666   HH22  ARG  88          2HH2      ARG  88  -9.669  -8.682   4.058
  667    H    VAL  89           H        VAL  89  -6.152  -5.200   1.410
  668    HA   VAL  89           HA       VAL  89  -3.353  -4.181   1.223
  669    HB   VAL  89           HB       VAL  89  -5.808  -2.459   1.703
  670   HG11  VAL  89          1HG1      VAL  89  -2.894  -1.671   1.257
  671   HG12  VAL  89          2HG1      VAL  89  -4.269  -0.565   1.467
  672   HG13  VAL  89          3HG1      VAL  89  -3.755  -1.592   2.802
  673   HG21  VAL  89          1HG2      VAL  89  -5.745  -3.107  -0.657
  674   HG22  VAL  89          2HG2      VAL  89  -5.186  -1.441  -0.509
  675   HG23  VAL  89          3HG2      VAL  89  -4.007  -2.748  -0.734
  676    H    ASN  90           H        ASN  90  -2.260  -3.893   3.069
  677    HA   ASN  90           HA       ASN  90  -3.509  -3.746   5.702
  678    HB2  ASN  90          1HB       ASN  90  -2.356  -5.797   6.585
  679    HB3  ASN  90          2HB       ASN  90  -3.638  -6.143   5.444
  680   HD21  ASN  90          1HD2      ASN  90  -0.015  -5.955   5.703
  681   HD22  ASN  90          2HD2      ASN  90   0.195  -7.137   4.430
  682    H    LYS  91           H        LYS  91  -1.722  -3.699   7.462
  683    HA   LYS  91           HA       LYS  91   0.353  -1.786   6.829
  684    HB2  LYS  91          1HB       LYS  91   0.305  -3.769   9.146
  685    HB3  LYS  91          2HB       LYS  91   1.218  -2.272   9.072
  686    HG2  LYS  91          1HG       LYS  91  -1.825  -2.382   9.099
  687    HG3  LYS  91          2HG       LYS  91  -0.856  -2.325  10.549
  688    HD2  LYS  91          1HD       LYS  91  -0.345  -0.190   8.486
  689    HD3  LYS  91          2HD       LYS  91  -1.863  -0.118   9.377
  690    HE2  LYS  91          1HE       LYS  91   0.820  -0.302  10.776
  691    HE3  LYS  91          2HE       LYS  91   0.053   1.226  10.328
  692    HZ1  LYS  91          1HZ       LYS  91  -0.574   0.685  12.572
  693    HZ2  LYS  91          2HZ       LYS  91  -1.117  -0.798  12.157
  694    HZ3  LYS  91          3HZ       LYS  91  -1.919   0.531  11.645
  695    H    ALA  92           H        ALA  92   2.545  -2.108   6.267
  696    HA   ALA  92           HA       ALA  92   3.248  -4.649   5.080
  697    HB1  ALA  92          1HB       ALA  92   3.984  -2.444   4.225
  698    HB2  ALA  92          2HB       ALA  92   4.987  -2.229   5.681
  699    HB3  ALA  92          3HB       ALA  92   5.343  -3.536   4.530
  700    H    SER  93           H        SER  93   3.245  -3.771   8.324
  701    HA   SER  93           HA       SER  93   5.358  -5.613   9.232
  702    HB2  SER  93          1HB       SER  93   4.492  -4.862  11.475
  703    HB3  SER  93          2HB       SER  93   5.067  -3.542  10.438
  704    HG   SER  93           HG       SER  93   3.058  -3.013  11.359
  705    H    ALA  94           H        ALA  94   1.978  -5.809   8.386
  706    HA   ALA  94           HA       ALA  94   1.114  -7.592  10.435
  707    HB1  ALA  94          1HB       ALA  94  -0.354  -6.062   9.136
  708    HB2  ALA  94          2HB       ALA  94  -0.092  -7.073   7.690
  709    HB3  ALA  94          3HB       ALA  94  -0.927  -7.738   9.104
  710    H    HIS  95           H        HIS  95   3.055  -8.325   7.716
  711    HA   HIS  95           HA       HIS  95   2.224 -11.076   7.288
  712    HB2  HIS  95          1HB       HIS  95   4.905  -9.761   6.720
  713    HB3  HIS  95          2HB       HIS  95   4.284 -11.243   6.002
  714    HD2  HIS  95          2HD       HIS  95   1.594 -10.598   4.753
  715    HE1  HIS  95          1HE       HIS  95   3.383  -7.159   2.980
  716    HE2  HIS  95          2HE       HIS  95   1.436  -8.795   2.830
  717    H    ASN  96           H        ASN  96   3.998  -9.579   9.844
  718    HA   ASN  96           HA       ASN  96   5.604 -11.921  10.542
  719    HB2  ASN  96          1HB       ASN  96   6.290  -9.485  10.811
  720    HB3  ASN  96          2HB       ASN  96   5.117  -9.364  12.121
  721   HD21  ASN  96          1HD2      ASN  96   7.272  -8.682  13.166
  722   HD22  ASN  96          2HD2      ASN  96   8.228  -9.977  13.871
  723    H    LYS  97           H        LYS  97   5.459 -13.048  12.493
  724    HA   LYS  97           HA       LYS  97   4.510 -14.471  13.959
  725    HB2  LYS  97          1HB       LYS  97   2.607 -12.208  14.651
  726    HB3  LYS  97          2HB       LYS  97   3.028 -13.576  15.666
  727    HG2  LYS  97          1HG       LYS  97   4.897 -11.320  14.831
  728    HG3  LYS  97          2HG       LYS  97   4.159 -11.570  16.411
  729    HD2  LYS  97          1HD       LYS  97   5.408 -13.728  16.643
  730    HD3  LYS  97          2HD       LYS  97   6.219 -13.396  15.093
  731    HE2  LYS  97          1HE       LYS  97   7.109 -11.271  16.012
  732    HE3  LYS  97          2HE       LYS  97   6.314 -11.601  17.556
  733    HZ1  LYS  97          1HZ       LYS  97   7.696 -13.600  17.767
  734    HZ2  LYS  97          2HZ       LYS  97   8.643 -12.283  17.603
  735    HZ3  LYS  97          3HZ       LYS  97   8.433 -13.295  16.339
  736    H    ASN  98           H        ASN  98   2.593 -15.604  14.808
  737    HA   ASN  98           HA       ASN  98   0.263 -15.838  13.052
  738    HB2  ASN  98          1HB       ASN  98   2.126 -17.276  12.032
  739    HB3  ASN  98          2HB       ASN  98   2.093 -18.242  13.506
  740   HD21  ASN  98          1HD2      ASN  98   1.645 -19.971  11.830
  741   HD22  ASN  98          2HD2      ASN  98  -0.034 -20.199  11.360
  742    H    LEU  99           H        LEU  99  -1.355 -17.360  14.000
  743    HA   LEU  99           HA       LEU  99  -1.466 -17.145  16.930
  744    HB2  LEU  99          1HB       LEU  99  -3.437 -16.626  15.561
  745    HB3  LEU  99          2HB       LEU  99  -3.404 -18.246  14.864
  746    HG   LEU  99           HG       LEU  99  -3.893 -19.222  17.109
  747   HD11  LEU  99          1HD1      LEU  99  -4.215 -16.313  17.977
  748   HD12  LEU  99          2HD1      LEU  99  -2.988 -17.443  18.585
  749   HD13  LEU  99          3HD1      LEU  99  -4.697 -17.737  18.922
  750   HD21  LEU  99          1HD2      LEU  99  -5.711 -18.707  15.530
  751   HD22  LEU  99          2HD2      LEU  99  -5.852 -17.071  16.212
  752   HD23  LEU  99          3HD2      LEU  99  -6.234 -18.495  17.208
  753    H    SER 100           H        SER 100  -0.912 -18.694  18.319
  754    HA   SER 100           HA       SER 100  -0.571 -21.529  17.398
  755    HB2  SER 100          1HB       SER 100   1.050 -20.006  19.465
  756    HB3  SER 100          2HB       SER 100   1.279 -21.699  18.990
  757    HG   SER 100           HG       SER 100   2.714 -20.281  17.890
  758    H    GLY 101           H        GLY 101  -2.633 -19.765  19.299
  759    HA2  GLY 101          1HA       GLY 101  -2.739 -21.399  21.688
  760    HA3  GLY 101          2HA       GLY 101  -3.930 -20.206  21.183
  761    HA   PRO 102           HA       PRO 102  -5.363 -24.688  20.227
  762    HB2  PRO 102          1HB       PRO 102  -6.630 -25.524  22.487
  763    HB3  PRO 102          2HB       PRO 102  -4.866 -25.707  22.247
  764    HG2  PRO 102          1HG       PRO 102  -6.320 -23.499  23.748
  765    HG3  PRO 102          2HG       PRO 102  -4.930 -24.485  24.308
  766    HD2  PRO 102          1HD       PRO 102  -4.597 -22.007  23.213
  767    HD3  PRO 102          2HD       PRO 102  -3.423 -23.325  22.915
  768    H    SER 103           H        SER 103  -7.463 -25.200  19.557
  769    HA   SER 103           HA       SER 103  -9.401 -22.991  19.508
  770    HB2  SER 103          1HB       SER 103 -10.552 -24.425  17.852
  771    HB3  SER 103          2HB       SER 103  -8.857 -24.108  17.443
  772    HG   SER 103           HG       SER 103  -9.422 -26.329  17.183
  773    H    SER 104           H        SER 104  -9.027 -25.905  21.340
  774    HA   SER 104           HA       SER 104 -11.574 -25.474  22.743
  775    HB2  SER 104          1HB       SER 104 -12.074 -26.986  20.765
  776    HB3  SER 104          2HB       SER 104 -10.981 -28.182  21.485
  777    HG   SER 104           HG       SER 104 -13.208 -28.484  22.071
  778    H    GLY 105           H        GLY 105 -11.754 -26.907  24.653
  779    HA2  GLY 105          1HA       GLY 105  -9.557 -28.402  25.747
  780    HA3  GLY 105          2HA       GLY 105  -9.526 -26.757  26.386
  Start of MODEL   10
    1    H1   GLY   1          1H        GLY   1  10.750  11.949  18.658
    2    H2   GLY   1          2H        GLY   1   9.168  11.828  19.066
    3    H3   GLY   1          3H        GLY   1   9.724  11.082  17.719
    4    HA2  GLY   1          1HA       GLY   1  11.094   9.597  19.024
    5    HA3  GLY   1          2HA       GLY   1  10.503  10.411  20.484
    6    H    SER   2           H        SER   2  10.219   7.735  20.347
    7    HA   SER   2           HA       SER   2   7.291   7.368  20.361
    8    HB2  SER   2          1HB       SER   2   7.945   6.692  18.080
    9    HB3  SER   2          2HB       SER   2   9.145   5.568  18.749
   10    HG   SER   2           HG       SER   2   7.051   4.635  18.177
   11    H    SER   3           H        SER   3   6.605   5.607  21.634
   12    HA   SER   3           HA       SER   3   8.390   4.691  23.777
   13    HB2  SER   3          1HB       SER   3   6.350   3.515  24.551
   14    HB3  SER   3          2HB       SER   3   6.072   5.245  24.277
   15    HG   SER   3           HG       SER   3   4.404   3.951  23.366
   16    H    GLY   4           H        GLY   4   7.332   3.505  20.662
   17    HA2  GLY   4          1HA       GLY   4   7.812   1.591  19.481
   18    HA3  GLY   4          2HA       GLY   4   8.961   1.122  20.737
   19    H    SER   5           H        SER   5   5.866   1.626  22.108
   20    HA   SER   5           HA       SER   5   5.636  -0.969  23.089
   21    HB2  SER   5          1HB       SER   5   3.468   1.126  22.701
   22    HB3  SER   5          2HB       SER   5   3.295  -0.340  23.688
   23    HG   SER   5           HG       SER   5   3.954   1.473  24.940
   24    H    SER   6           H        SER   6   4.970  -2.843  22.361
   25    HA   SER   6           HA       SER   6   4.177  -4.512  21.085
   26    HB2  SER   6          1HB       SER   6   1.924  -2.667  20.277
   27    HB3  SER   6          2HB       SER   6   1.914  -4.437  20.306
   28    HG   SER   6           HG       SER   6   0.941  -3.251  22.156
   29    H    GLY   7           H        GLY   7   5.874  -2.278  19.658
   30    HA2  GLY   7          1HA       GLY   7   5.088  -2.317  16.907
   31    HA3  GLY   7          2HA       GLY   7   6.638  -1.787  17.538
   32    HA   PRO   8           HA       PRO   8   6.921  -6.295  15.865
   33    HB2  PRO   8          1HB       PRO   8   6.523  -6.363  13.185
   34    HB3  PRO   8          2HB       PRO   8   5.174  -6.403  14.359
   35    HG2  PRO   8          1HG       PRO   8   6.240  -3.984  12.873
   36    HG3  PRO   8          2HG       PRO   8   4.540  -4.543  13.006
   37    HD2  PRO   8          1HD       PRO   8   5.575  -2.630  14.664
   38    HD3  PRO   8          2HD       PRO   8   4.382  -3.830  15.244
   39    H    ILE   9           H        ILE   9   8.195  -3.314  14.459
   40    HA   ILE   9           HA       ILE   9  10.893  -4.456  14.395
   41    HB   ILE   9           HB       ILE   9  10.090  -4.958  12.163
   42   HG12  ILE   9          1HG1      ILE   9  11.725  -3.917  10.732
   43   HG13  ILE   9          2HG1      ILE   9  12.067  -2.690  11.937
   44   HG21  ILE   9          1HG2      ILE   9   8.342  -3.217  11.895
   45   HG22  ILE   9          2HG2      ILE   9   9.607  -1.983  11.734
   46   HG23  ILE   9          3HG2      ILE   9   9.451  -3.268  10.522
   47   HD11  ILE   9          1HD1      ILE   9  12.481  -5.700  12.309
   48   HD12  ILE   9          2HD1      ILE   9  13.749  -4.546  11.865
   49   HD13  ILE   9          3HD1      ILE   9  12.983  -4.437  13.456
   50    H    SER  10           H        SER  10  12.504  -2.992  14.729
   51    HA   SER  10           HA       SER  10  11.764  -0.152  15.260
   52    HB2  SER  10          1HB       SER  10  13.717  -0.190  16.777
   53    HB3  SER  10          2HB       SER  10  12.477  -1.378  17.215
   54    HG   SER  10           HG       SER  10  14.606  -2.270  17.256
   55    H    GLU  11           H        GLU  11  13.457  -1.999  12.946
   56    HA   GLU  11           HA       GLU  11  15.678  -0.091  12.591
   57    HB2  GLU  11          1HB       GLU  11  14.909  -2.575  11.016
   58    HB3  GLU  11          2HB       GLU  11  16.370  -1.610  10.776
   59    HG2  GLU  11          1HG       GLU  11  16.993  -2.045  13.185
   60    HG3  GLU  11          2HG       GLU  11  15.635  -3.168  13.289
   61    H    ARG  12           H        ARG  12  12.540  -0.482  11.194
   62    HA   ARG  12           HA       ARG  12  12.929   1.828   9.386
   63    HB2  ARG  12          1HB       ARG  12  12.294  -0.996   8.524
   64    HB3  ARG  12          2HB       ARG  12  11.366   0.276   7.755
   65    HG2  ARG  12          1HG       ARG  12  14.399   0.394   7.847
   66    HG3  ARG  12          2HG       ARG  12  13.546  -0.510   6.604
   67    HD2  ARG  12          1HD       ARG  12  12.987   2.435   7.142
   68    HD3  ARG  12          2HD       ARG  12  14.230   1.881   6.017
   69    HE   ARG  12           HE       ARG  12  12.202   0.517   5.004
   70   HH11  ARG  12          1HH1      ARG  12  12.048   3.902   6.001
   71   HH12  ARG  12          2HH1      ARG  12  10.803   4.237   4.815
   72   HH21  ARG  12          1HH2      ARG  12  10.710   1.123   3.471
   73   HH22  ARG  12          2HH2      ARG  12  10.196   2.795   3.379
   74    H    ASN  13           H        ASN  13  11.024   2.900   8.874
   75    HA   ASN  13           HA       ASN  13   8.849   2.721  10.795
   76    HB2  ASN  13          1HB       ASN  13   8.009   4.730   9.600
   77    HB3  ASN  13          2HB       ASN  13   9.671   4.880  10.144
   78   HD21  ASN  13          1HD2      ASN  13   7.722   4.129   7.229
   79   HD22  ASN  13          2HD2      ASN  13   8.904   4.826   6.103
   80    H    GLN  14           H        GLN  14   8.867   0.287   9.571
   81    HA   GLN  14           HA       GLN  14   7.378   0.117   7.145
   82    HB2  GLN  14          1HB       GLN  14   9.098  -1.459   8.143
   83    HB3  GLN  14          2HB       GLN  14   7.815  -2.098   9.180
   84    HG2  GLN  14          1HG       GLN  14   6.575  -2.896   7.257
   85    HG3  GLN  14          2HG       GLN  14   7.636  -2.045   6.133
   86   HE21  GLN  14          1HE2      GLN  14   7.035  -5.004   6.212
   87   HE22  GLN  14          2HE2      GLN  14   8.628  -5.717   6.393
   88    H    ASP  15           H        ASP  15   6.214   0.475  10.398
   89    HA   ASP  15           HA       ASP  15   3.492  -0.438   9.939
   90    HB2  ASP  15          1HB       ASP  15   4.699   1.512  11.943
   91    HB3  ASP  15          2HB       ASP  15   3.027   0.952  11.968
   92    H    ALA  16           H        ALA  16   5.234   2.494   9.065
   93    HA   ALA  16           HA       ALA  16   2.741   3.921   8.340
   94    HB1  ALA  16          1HB       ALA  16   4.605   5.159   9.421
   95    HB2  ALA  16          2HB       ALA  16   5.640   4.775   8.025
   96    HB3  ALA  16          3HB       ALA  16   4.190   5.777   7.813
   97    H    THR  17           H        THR  17   4.540   1.456   7.000
   98    HA   THR  17           HA       THR  17   3.843   2.239   4.213
   99    HB   THR  17           HB       THR  17   5.575  -0.084   5.085
  100    HG1  THR  17          1HG       THR  17   7.282   1.228   4.419
  101   HG21  THR  17          1HG2      THR  17   6.375  -0.072   2.749
  102   HG22  THR  17          2HG2      THR  17   5.311   1.284   2.362
  103   HG23  THR  17          3HG2      THR  17   4.625  -0.303   2.767
  104    H    VAL  18           H        VAL  18   2.371   1.073   3.051
  105    HA   VAL  18           HA       VAL  18   0.949  -1.174   4.432
  106    HB   VAL  18           HB       VAL  18  -1.015  -0.739   3.147
  107   HG11  VAL  18          1HG1      VAL  18  -1.729   1.356   4.146
  108   HG12  VAL  18          2HG1      VAL  18  -0.690   0.484   5.290
  109   HG13  VAL  18          3HG1      VAL  18  -0.051   1.873   4.373
  110   HG21  VAL  18          1HG2      VAL  18  -0.076   0.209   1.063
  111   HG22  VAL  18          2HG2      VAL  18  -1.315   1.260   1.757
  112   HG23  VAL  18          3HG2      VAL  18   0.395   1.672   1.960
  113    H    TYR  19           H        TYR  19   0.452  -2.987   3.270
  114    HA   TYR  19           HA       TYR  19   2.009  -3.554   0.782
  115    HB2  TYR  19          1HB       TYR  19   2.480  -5.169   2.467
  116    HB3  TYR  19          2HB       TYR  19   0.806  -5.243   2.982
  117    HD1  TYR  19          1HD       TYR  19   3.205  -6.386   0.393
  118    HD2  TYR  19          2HD       TYR  19  -0.862  -6.575   1.816
  119    HE1  TYR  19          1HE       TYR  19   2.799  -8.413  -1.002
  120    HE2  TYR  19          2HE       TYR  19  -1.268  -8.577   0.407
  121    HH   TYR  19           HH       TYR  19  -0.350 -10.107  -1.047
  122    H    VAL  20           H        VAL  20   0.933  -4.125  -1.052
  123    HA   VAL  20           HA       VAL  20  -2.053  -4.244  -1.075
  124    HB   VAL  20           HB       VAL  20  -0.379  -2.807  -3.177
  125   HG11  VAL  20          1HG1      VAL  20  -2.593  -2.042  -3.971
  126   HG12  VAL  20          2HG1      VAL  20  -2.508  -3.811  -3.980
  127   HG13  VAL  20          3HG1      VAL  20  -3.389  -2.977  -2.692
  128   HG21  VAL  20          1HG2      VAL  20  -1.355  -0.714  -2.361
  129   HG22  VAL  20          2HG2      VAL  20  -2.087  -1.572  -0.981
  130   HG23  VAL  20          3HG2      VAL  20  -0.321  -1.443  -1.139
  131    H    GLY  21           H        GLY  21  -2.396  -6.344  -1.549
  132    HA2  GLY  21          1HA       GLY  21  -0.719  -7.737  -3.602
  133    HA3  GLY  21          2HA       GLY  21  -1.745  -8.511  -2.403
  134    H    GLY  22           H        GLY  22  -1.600  -8.571  -5.440
  135    HA2  GLY  22          1HA       GLY  22  -3.349  -9.568  -6.726
  136    HA3  GLY  22          2HA       GLY  22  -4.566  -8.673  -5.815
  137    H    LEU  23           H        LEU  23  -1.621  -7.390  -7.390
  138    HA   LEU  23           HA       LEU  23  -3.124  -5.157  -8.517
  139    HB2  LEU  23          1HB       LEU  23  -0.189  -5.961  -8.685
  140    HB3  LEU  23          2HB       LEU  23  -0.855  -4.443  -9.281
  141    HG   LEU  23           HG       LEU  23  -0.755  -5.345  -6.367
  142   HD11  LEU  23          1HD1      LEU  23   0.848  -3.524  -6.130
  143   HD12  LEU  23          2HD1      LEU  23   0.704  -3.127  -7.855
  144   HD13  LEU  23          3HD1      LEU  23   1.406  -4.680  -7.358
  145   HD21  LEU  23          1HD2      LEU  23  -2.704  -3.999  -6.538
  146   HD22  LEU  23          2HD2      LEU  23  -1.942  -2.862  -7.662
  147   HD23  LEU  23          3HD2      LEU  23  -1.434  -2.911  -5.964
  148    H    ASP  24           H        ASP  24  -3.203  -4.585 -10.697
  149    HA   ASP  24           HA       ASP  24  -3.252  -6.861 -12.568
  150    HB2  ASP  24          1HB       ASP  24  -5.242  -5.425 -12.395
  151    HB3  ASP  24          2HB       ASP  24  -4.278  -4.001 -12.784
  152    H    GLU  25           H        GLU  25  -2.296  -6.630 -14.767
  153    HA   GLU  25           HA       GLU  25   0.438  -5.873 -14.700
  154    HB2  GLU  25          1HB       GLU  25   0.475  -6.432 -17.047
  155    HB3  GLU  25          2HB       GLU  25  -0.460  -7.621 -16.142
  156    HG2  GLU  25          1HG       GLU  25  -2.573  -6.544 -16.919
  157    HG3  GLU  25          2HG       GLU  25  -1.631  -5.358 -17.826
  158    H    LYS  26           H        LYS  26  -2.330  -3.849 -15.420
  159    HA   LYS  26           HA       LYS  26  -0.742  -1.724 -16.698
  160    HB2  LYS  26          1HB       LYS  26  -3.614  -1.833 -15.709
  161    HB3  LYS  26          2HB       LYS  26  -2.900  -0.469 -16.577
  162    HG2  LYS  26          1HG       LYS  26  -2.394  -1.925 -18.510
  163    HG3  LYS  26          2HG       LYS  26  -3.135  -3.301 -17.697
  164    HD2  LYS  26          1HD       LYS  26  -4.541  -0.726 -18.507
  165    HD3  LYS  26          2HD       LYS  26  -4.634  -2.262 -19.363
  166    HE2  LYS  26          1HE       LYS  26  -5.670  -1.702 -16.550
  167    HE3  LYS  26          2HE       LYS  26  -6.645  -1.840 -18.016
  168    HZ1  LYS  26          1HZ       LYS  26  -5.771  -4.176 -18.191
  169    HZ2  LYS  26          2HZ       LYS  26  -6.718  -3.928 -16.884
  170    HZ3  LYS  26          3HZ       LYS  26  -5.102  -4.004 -16.693
  171    H    VAL  27           H        VAL  27  -0.979  -2.663 -13.472
  172    HA   VAL  27           HA       VAL  27  -0.910   0.013 -12.273
  173    HB   VAL  27           HB       VAL  27  -0.323  -2.706 -11.044
  174   HG11  VAL  27          1HG1      VAL  27  -0.681  -1.560  -8.895
  175   HG12  VAL  27          2HG1      VAL  27   0.742  -0.948  -9.710
  176   HG13  VAL  27          3HG1      VAL  27  -0.754   0.002  -9.717
  177   HG21  VAL  27          1HG2      VAL  27  -2.578  -2.428 -10.013
  178   HG22  VAL  27          2HG2      VAL  27  -2.817  -0.945 -10.958
  179   HG23  VAL  27          3HG2      VAL  27  -2.670  -2.515 -11.774
  180    H    SER  28           H        SER  28   0.806   1.187 -11.642
  181    HA   SER  28           HA       SER  28   3.552   0.030 -11.682
  182    HB2  SER  28          1HB       SER  28   2.779   2.696 -12.935
  183    HB3  SER  28          2HB       SER  28   4.428   2.077 -12.732
  184    HG   SER  28           HG       SER  28   3.599   1.698 -14.844
  185    H    GLU  29           H        GLU  29   5.107   1.326 -10.386
  186    HA   GLU  29           HA       GLU  29   4.105   1.991  -7.853
  187    HB2  GLU  29          1HB       GLU  29   6.710   2.456  -9.318
  188    HB3  GLU  29          2HB       GLU  29   6.487   3.280  -7.793
  189    HG2  GLU  29          1HG       GLU  29   6.643   1.411  -6.541
  190    HG3  GLU  29          2HG       GLU  29   5.735   0.434  -7.668
  191    HA   PRO  30           HA       PRO  30   4.125   6.691  -8.879
  192    HB2  PRO  30          1HB       PRO  30   3.515   6.621 -11.829
  193    HB3  PRO  30          2HB       PRO  30   4.443   7.834 -10.894
  194    HG2  PRO  30          1HG       PRO  30   5.753   6.010 -12.396
  195    HG3  PRO  30          2HG       PRO  30   6.334   6.361 -10.731
  196    HD2  PRO  30          1HD       PRO  30   4.546   4.088 -11.652
  197    HD3  PRO  30          2HD       PRO  30   6.026   4.014 -10.652
  198    H    LEU  31           H        LEU  31   2.020   4.313 -10.489
  199    HA   LEU  31           HA       LEU  31  -0.409   5.921 -10.353
  200    HB2  LEU  31          1HB       LEU  31  -0.204   3.927 -11.873
  201    HB3  LEU  31          2HB       LEU  31  -0.074   2.892 -10.453
  202    HG   LEU  31           HG       LEU  31  -2.395   3.780  -9.709
  203   HD11  LEU  31          1HD1      LEU  31  -2.479   5.728 -11.215
  204   HD12  LEU  31          2HD1      LEU  31  -3.798   4.598 -11.560
  205   HD13  LEU  31          3HD1      LEU  31  -2.372   4.645 -12.627
  206   HD21  LEU  31          1HD2      LEU  31  -2.003   2.133 -12.232
  207   HD22  LEU  31          2HD2      LEU  31  -3.522   2.228 -11.309
  208   HD23  LEU  31          3HD2      LEU  31  -2.079   1.548 -10.547
  209    H    LEU  32           H        LEU  32   0.988   3.247  -8.387
  210    HA   LEU  32           HA       LEU  32  -0.986   3.263  -6.362
  211    HB2  LEU  32          1HB       LEU  32   2.001   2.684  -6.044
  212    HB3  LEU  32          2HB       LEU  32   0.737   2.287  -4.884
  213    HG   LEU  32           HG       LEU  32   1.182   1.066  -7.614
  214   HD11  LEU  32          1HD1      LEU  32   1.376  -0.996  -6.306
  215   HD12  LEU  32          2HD1      LEU  32   1.009  -0.114  -4.805
  216   HD13  LEU  32          3HD1      LEU  32   2.523   0.212  -5.693
  217   HD21  LEU  32          1HD2      LEU  32  -1.211   1.254  -7.434
  218   HD22  LEU  32          2HD2      LEU  32  -1.180   0.786  -5.711
  219   HD23  LEU  32          3HD2      LEU  32  -0.800  -0.406  -6.964
  220    H    TRP  33           H        TRP  33   1.968   5.243  -6.588
  221    HA   TRP  33           HA       TRP  33   1.748   6.556  -4.095
  222    HB2  TRP  33          1HB       TRP  33   3.644   6.554  -5.785
  223    HB3  TRP  33          2HB       TRP  33   2.771   7.746  -6.712
  224    HD1  TRP  33           HD       TRP  33   1.964   9.726  -4.272
  225    HE1  TRP  33          1HE       TRP  33   3.809  11.096  -3.114
  226    HE3  TRP  33          3HE       TRP  33   5.983   6.943  -5.665
  227    HZ2  TRP  33          2HZ       TRP  33   6.694  11.019  -2.883
  228    HZ3  TRP  33          3HZ       TRP  33   8.302   7.615  -4.994
  229    HH2  TRP  33           HH       TRP  33   8.656   9.650  -3.609
  230    H    GLU  34           H        GLU  34   0.732   7.909  -7.257
  231    HA   GLU  34           HA       GLU  34  -0.686  10.110  -6.120
  232    HB2  GLU  34          1HB       GLU  34  -0.906   8.790  -8.862
  233    HB3  GLU  34          2HB       GLU  34  -1.689  10.317  -8.417
  234    HG2  GLU  34          1HG       GLU  34   0.585  11.192  -7.746
  235    HG3  GLU  34          2HG       GLU  34   1.307   9.770  -8.487
  236    H    LEU  35           H        LEU  35  -1.853   6.867  -6.852
  237    HA   LEU  35           HA       LEU  35  -4.661   7.466  -6.514
  238    HB2  LEU  35          1HB       LEU  35  -3.526   5.443  -7.695
  239    HB3  LEU  35          2HB       LEU  35  -3.328   4.785  -6.063
  240    HG   LEU  35           HG       LEU  35  -5.892   5.132  -5.877
  241   HD11  LEU  35          1HD1      LEU  35  -5.608   5.144  -8.899
  242   HD12  LEU  35          2HD1      LEU  35  -6.203   6.493  -7.903
  243   HD13  LEU  35          3HD1      LEU  35  -7.126   4.985  -7.989
  244   HD21  LEU  35          1HD2      LEU  35  -4.814   2.949  -5.954
  245   HD22  LEU  35          2HD2      LEU  35  -4.745   3.027  -7.732
  246   HD23  LEU  35          3HD2      LEU  35  -6.313   2.941  -6.887
  247    H    PHE  36           H        PHE  36  -2.086   6.487  -4.233
  248    HA   PHE  36           HA       PHE  36  -3.999   6.108  -2.022
  249    HB2  PHE  36          1HB       PHE  36  -1.071   5.590  -2.449
  250    HB3  PHE  36          2HB       PHE  36  -1.696   5.673  -0.852
  251    HD1  PHE  36          1HD       PHE  36  -2.272   3.660   0.180
  252    HD2  PHE  36          2HD       PHE  36  -2.649   3.952  -4.096
  253    HE1  PHE  36          1HE       PHE  36  -3.039   1.303   0.080
  254    HE2  PHE  36          2HE       PHE  36  -3.336   1.580  -4.203
  255    HZ   PHE  36           HZ       PHE  36  -3.592   0.265  -2.108
  256    H    LEU  37           H        LEU  37  -2.195   8.777  -3.238
  257    HA   LEU  37           HA       LEU  37  -1.860  10.390  -0.966
  258    HB2  LEU  37          1HB       LEU  37  -2.746  10.983  -3.806
  259    HB3  LEU  37          2HB       LEU  37  -2.558  12.274  -2.627
  260    HG   LEU  37           HG       LEU  37  -0.332  10.454  -3.579
  261   HD11  LEU  37          1HD1      LEU  37  -1.121  12.171  -5.212
  262   HD12  LEU  37          2HD1      LEU  37   0.533  12.463  -4.644
  263   HD13  LEU  37          3HD1      LEU  37  -0.814  13.426  -3.997
  264   HD21  LEU  37          1HD2      LEU  37   1.146  12.017  -2.328
  265   HD22  LEU  37          2HD2      LEU  37   0.083  11.079  -1.272
  266   HD23  LEU  37          3HD2      LEU  37  -0.303  12.776  -1.619
  267    H    GLN  38           H        GLN  38  -4.851   9.290  -2.252
  268    HA   GLN  38           HA       GLN  38  -6.684  11.192  -1.130
  269    HB2  GLN  38          1HB       GLN  38  -7.109   8.205  -1.593
  270    HB3  GLN  38          2HB       GLN  38  -8.364   9.442  -1.426
  271    HG2  GLN  38          1HG       GLN  38  -7.478  10.561  -3.500
  272    HG3  GLN  38          2HG       GLN  38  -6.303   9.236  -3.637
  273   HE21  GLN  38          1HE2      GLN  38  -6.997   7.191  -4.377
  274   HE22  GLN  38          2HE2      GLN  38  -8.631   6.936  -5.014
  275    H    ALA  39           H        ALA  39  -5.015   8.399   0.279
  276    HA   ALA  39           HA       ALA  39  -6.575   8.439   2.764
  277    HB1  ALA  39          1HB       ALA  39  -5.631   6.341   1.894
  278    HB2  ALA  39          2HB       ALA  39  -3.998   7.014   1.983
  279    HB3  ALA  39          3HB       ALA  39  -4.910   6.733   3.472
  280    H    GLY  40           H        GLY  40  -3.262   9.389   1.797
  281    HA2  GLY  40          1HA       GLY  40  -3.155  11.697   3.485
  282    HA3  GLY  40          2HA       GLY  40  -2.334  10.346   4.273
  283    HA   PRO  41           HA       PRO  41   0.580  12.598   1.345
  284    HB2  PRO  41          1HB       PRO  41   2.586  13.152   3.144
  285    HB3  PRO  41          2HB       PRO  41   1.161  14.201   2.876
  286    HG2  PRO  41          1HG       PRO  41   1.534  12.096   5.026
  287    HG3  PRO  41          2HG       PRO  41   0.992  13.790   5.228
  288    HD2  PRO  41          1HD       PRO  41  -0.753  11.709   5.089
  289    HD3  PRO  41          2HD       PRO  41  -1.157  13.255   4.289
  290    H    VAL  42           H        VAL  42   1.384  11.071   0.099
  291    HA   VAL  42           HA       VAL  42   2.782   8.689   1.142
  292    HB   VAL  42           HB       VAL  42   2.070   9.472  -1.697
  293   HG11  VAL  42          1HG1      VAL  42   2.647   7.094  -2.218
  294   HG12  VAL  42          2HG1      VAL  42   4.054   8.014  -1.717
  295   HG13  VAL  42          3HG1      VAL  42   3.275   6.899  -0.575
  296   HG21  VAL  42          1HG2      VAL  42   0.423   7.651  -1.552
  297   HG22  VAL  42          2HG2      VAL  42   0.866   7.367   0.145
  298   HG23  VAL  42          3HG2      VAL  42   0.082   8.884  -0.340
  299    H    VAL  43           H        VAL  43   4.844   8.370   1.097
  300    HA   VAL  43           HA       VAL  43   6.697  10.602   0.407
  301    HB   VAL  43           HB       VAL  43   7.171   8.257   2.286
  302   HG11  VAL  43          1HG1      VAL  43   8.753   9.816   3.383
  303   HG12  VAL  43          2HG1      VAL  43   9.201   9.514   1.698
  304   HG13  VAL  43          3HG1      VAL  43   8.402  11.043   2.152
  305   HG21  VAL  43          1HG2      VAL  43   5.990  10.971   3.001
  306   HG22  VAL  43          2HG2      VAL  43   5.189   9.387   3.125
  307   HG23  VAL  43          3HG2      VAL  43   6.571   9.742   4.154
  308    H    ASN  44           H        ASN  44   6.149   7.148  -0.082
  309    HA   ASN  44           HA       ASN  44   8.097   6.919  -2.245
  310    HB2  ASN  44          1HB       ASN  44   9.627   6.785  -0.384
  311    HB3  ASN  44          2HB       ASN  44   8.569   5.739   0.526
  312   HD21  ASN  44          1HD2      ASN  44   9.576   3.814   0.750
  313   HD22  ASN  44          2HD2      ASN  44  10.376   2.965  -0.580
  314    H    THR  45           H        THR  45   7.972   4.782  -3.292
  315    HA   THR  45           HA       THR  45   5.824   2.929  -2.446
  316    HB   THR  45           HB       THR  45   5.270   2.595  -4.937
  317    HG1  THR  45          1HG       THR  45   5.382   4.537  -6.125
  318   HG21  THR  45          1HG2      THR  45   3.496   4.146  -4.936
  319   HG22  THR  45          2HG2      THR  45   4.290   5.179  -3.706
  320   HG23  THR  45          3HG2      THR  45   3.705   3.547  -3.294
  321    H    HIS  46           H        HIS  46   6.054   0.772  -3.255
  322    HA   HIS  46           HA       HIS  46   8.554   0.137  -4.715
  323    HB2  HIS  46          1HB       HIS  46   8.854   0.029  -2.094
  324    HB3  HIS  46          2HB       HIS  46   7.868  -1.413  -2.207
  325    HD2  HIS  46          2HD       HIS  46  11.391  -0.187  -2.786
  326    HE1  HIS  46          1HE       HIS  46  11.328  -4.153  -4.358
  327    HE2  HIS  46          2HE       HIS  46  12.826  -2.195  -3.716
  328    H    MET  47           H        MET  47   8.185  -1.414  -6.235
  329    HA   MET  47           HA       MET  47   6.106  -3.505  -5.701
  330    HB2  MET  47          1HB       MET  47   6.378  -1.885  -8.244
  331    HB3  MET  47          2HB       MET  47   5.635  -3.485  -8.194
  332    HG2  MET  47          1HG       MET  47   3.936  -2.784  -6.684
  333    HG3  MET  47          2HG       MET  47   4.713  -1.227  -6.392
  334    HE1  MET  47          1HE       MET  47   2.452  -2.441 -10.222
  335    HE2  MET  47          2HE       MET  47   4.153  -2.900 -10.015
  336    HE3  MET  47          3HE       MET  47   2.925  -3.515  -8.881
  337    HA   PRO  48           HA       PRO  48  10.055  -5.591  -6.457
  338    HB2  PRO  48          1HB       PRO  48   8.258  -7.904  -5.685
  339    HB3  PRO  48          2HB       PRO  48   9.980  -7.624  -5.258
  340    HG2  PRO  48          1HG       PRO  48   8.090  -7.001  -3.456
  341    HG3  PRO  48          2HG       PRO  48   9.375  -5.804  -3.787
  342    HD2  PRO  48          1HD       PRO  48   6.560  -5.889  -4.933
  343    HD3  PRO  48          2HD       PRO  48   7.433  -4.501  -4.207
  344    H    LYS  49           H        LYS  49  10.878  -6.636  -8.209
  345    HA   LYS  49           HA       LYS  49   9.005  -7.236 -10.454
  346    HB2  LYS  49          1HB       LYS  49  11.916  -6.403 -10.627
  347    HB3  LYS  49          2HB       LYS  49  10.785  -6.589 -11.958
  348    HG2  LYS  49          1HG       LYS  49  10.756  -4.439  -9.812
  349    HG3  LYS  49          2HG       LYS  49  11.154  -4.255 -11.520
  350    HD2  LYS  49          1HD       LYS  49   8.768  -4.953 -12.065
  351    HD3  LYS  49          2HD       LYS  49   8.411  -4.852 -10.339
  352    HE2  LYS  49          1HE       LYS  49   9.310  -2.586 -12.177
  353    HE3  LYS  49          2HE       LYS  49   7.711  -2.815 -11.463
  354    HZ1  LYS  49          1HZ       LYS  49  10.195  -2.041 -10.060
  355    HZ2  LYS  49          2HZ       LYS  49   8.914  -2.643  -9.243
  356    HZ3  LYS  49          3HZ       LYS  49   8.758  -1.248 -10.068
  357    H    ASP  50           H        ASP  50   9.329  -8.904 -11.830
  358    HA   ASP  50           HA       ASP  50  10.464 -11.374 -10.863
  359    HB2  ASP  50          1HB       ASP  50   8.504 -11.313 -12.317
  360    HB3  ASP  50          2HB       ASP  50   9.409 -10.467 -13.568
  361    H    ARG  51           H        ARG  51  12.378 -12.374 -11.346
  362    HA   ARG  51           HA       ARG  51  14.551 -10.662 -12.225
  363    HB2  ARG  51          1HB       ARG  51  16.015 -12.342 -11.355
  364    HB3  ARG  51          2HB       ARG  51  14.688 -12.083 -10.227
  365    HG2  ARG  51          1HG       ARG  51  13.575 -14.162 -11.083
  366    HG3  ARG  51          2HG       ARG  51  14.943 -14.416 -12.183
  367    HD2  ARG  51          1HD       ARG  51  16.479 -14.530 -10.216
  368    HD3  ARG  51          2HD       ARG  51  15.100 -14.297  -9.145
  369    HE   ARG  51           HE       ARG  51  14.412 -16.489  -9.481
  370   HH11  ARG  51          1HH1      ARG  51  14.653 -18.609 -10.072
  371   HH12  ARG  51          2HH1      ARG  51  15.844 -19.056 -11.257
  372   HH21  ARG  51          1HH2      ARG  51  16.992 -15.867 -11.777
  373   HH22  ARG  51          2HH2      ARG  51  17.136 -17.551 -12.201
  374    H    VAL  52           H        VAL  52  12.592 -12.055 -14.306
  375    HA   VAL  52           HA       VAL  52  14.756 -12.799 -16.250
  376    HB   VAL  52           HB       VAL  52  12.104 -14.267 -15.943
  377   HG11  VAL  52          1HG1      VAL  52  12.950 -14.314 -18.250
  378   HG12  VAL  52          2HG1      VAL  52  14.550 -14.835 -17.672
  379   HG13  VAL  52          3HG1      VAL  52  13.135 -15.898 -17.502
  380   HG21  VAL  52          1HG2      VAL  52  13.492 -14.888 -14.046
  381   HG22  VAL  52          2HG2      VAL  52  13.497 -16.208 -15.208
  382   HG23  VAL  52          3HG2      VAL  52  14.905 -15.128 -15.104
  383    H    THR  53           H        THR  53  11.442 -11.618 -15.729
  384    HA   THR  53           HA       THR  53  11.354 -10.539 -18.510
  385    HB   THR  53           HB       THR  53   8.924 -10.597 -18.296
  386    HG1  THR  53          1HG       THR  53   9.405 -11.850 -15.796
  387   HG21  THR  53          1HG2      THR  53   8.531 -12.990 -18.304
  388   HG22  THR  53          2HG2      THR  53  10.079 -13.303 -17.491
  389   HG23  THR  53          3HG2      THR  53  10.054 -12.643 -19.142
  390    H    GLY  54           H        GLY  54  11.569  -9.608 -15.226
  391    HA2  GLY  54          1HA       GLY  54  11.800  -7.586 -14.266
  392    HA3  GLY  54          2HA       GLY  54  11.777  -6.874 -15.883
  393    H    GLN  55           H        GLN  55   8.905  -8.603 -15.330
  394    HA   GLN  55           HA       GLN  55   7.290  -6.167 -14.993
  395    HB2  GLN  55          1HB       GLN  55   6.371  -9.064 -15.113
  396    HB3  GLN  55          2HB       GLN  55   5.397  -7.615 -15.360
  397    HG2  GLN  55          1HG       GLN  55   7.541  -8.749 -17.197
  398    HG3  GLN  55          2HG       GLN  55   5.820  -8.633 -17.506
  399   HE21  GLN  55          1HE2      GLN  55   8.820  -7.106 -18.076
  400   HE22  GLN  55          2HE2      GLN  55   8.167  -5.552 -18.593
  401    H    HIS  56           H        HIS  56   5.583  -6.044 -13.240
  402    HA   HIS  56           HA       HIS  56   6.796  -6.634 -10.672
  403    HB2  HIS  56          1HB       HIS  56   5.033  -5.513  -9.648
  404    HB3  HIS  56          2HB       HIS  56   5.400  -4.619 -11.115
  405    HD2  HIS  56          2HD       HIS  56   3.324  -4.042 -12.609
  406    HE1  HIS  56          1HE       HIS  56   0.457  -6.651 -10.842
  407    HE2  HIS  56          2HE       HIS  56   0.780  -4.747 -12.476
  408    H    GLN  57           H        GLN  57   6.054  -7.949  -8.982
  409    HA   GLN  57           HA       GLN  57   5.212 -10.562  -9.986
  410    HB2  GLN  57          1HB       GLN  57   6.209  -9.728  -7.248
  411    HB3  GLN  57          2HB       GLN  57   5.944 -11.393  -7.797
  412    HG2  GLN  57          1HG       GLN  57   7.582 -10.925  -9.694
  413    HG3  GLN  57          2HG       GLN  57   7.999  -9.426  -8.863
  414   HE21  GLN  57          1HE2      GLN  57   8.253 -10.077  -6.191
  415   HE22  GLN  57          2HE2      GLN  57   9.446 -11.349  -6.027
  416    H    GLY  58           H        GLY  58   3.105  -8.369  -9.603
  417    HA2  GLY  58          1HA       GLY  58   0.808  -8.608  -9.362
  418    HA3  GLY  58          2HA       GLY  58   1.025 -10.127  -8.498
  419    H    TYR  59           H        TYR  59   3.000  -7.806  -7.031
  420    HA   TYR  59           HA       TYR  59   0.924  -6.647  -5.300
  421    HB2  TYR  59          1HB       TYR  59   1.886  -7.436  -3.250
  422    HB3  TYR  59          2HB       TYR  59   1.432  -8.804  -4.241
  423    HD1  TYR  59          1HD       TYR  59   3.191 -10.180  -5.388
  424    HD2  TYR  59          2HD       TYR  59   4.185  -7.059  -2.579
  425    HE1  TYR  59          1HE       TYR  59   5.490 -11.113  -5.162
  426    HE2  TYR  59          2HE       TYR  59   6.450  -8.042  -2.296
  427    HH   TYR  59           HH       TYR  59   7.926  -9.673  -2.965
  428    H    GLY  60           H        GLY  60   1.694  -5.011  -3.873
  429    HA2  GLY  60          1HA       GLY  60   4.329  -3.761  -4.405
  430    HA3  GLY  60          2HA       GLY  60   2.870  -2.869  -4.843
  431    H    PHE  61           H        PHE  61   4.254  -1.515  -3.271
  432    HA   PHE  61           HA       PHE  61   2.925  -1.563  -0.636
  433    HB2  PHE  61          1HB       PHE  61   5.906  -1.155  -1.092
  434    HB3  PHE  61          2HB       PHE  61   5.083  -0.992   0.441
  435    HD1  PHE  61          1HD       PHE  61   6.358  -3.389  -2.063
  436    HD2  PHE  61          2HD       PHE  61   4.412  -2.930   1.754
  437    HE1  PHE  61          1HE       PHE  61   6.886  -5.753  -1.511
  438    HE2  PHE  61          2HE       PHE  61   4.967  -5.293   2.319
  439    HZ   PHE  61           HZ       PHE  61   6.194  -6.707   0.682
  440    H    VAL  62           H        VAL  62   2.711   0.456   0.358
  441    HA   VAL  62           HA       VAL  62   3.682   2.876  -1.107
  442    HB   VAL  62           HB       VAL  62   0.879   2.678   0.054
  443   HG11  VAL  62          1HG1      VAL  62   2.257   4.772  -1.669
  444   HG12  VAL  62          2HG1      VAL  62   0.569   4.804  -1.131
  445   HG13  VAL  62          3HG1      VAL  62   1.848   4.936   0.060
  446   HG21  VAL  62          1HG2      VAL  62   1.773   2.466  -2.839
  447   HG22  VAL  62          2HG2      VAL  62   0.871   1.258  -1.903
  448   HG23  VAL  62          3HG2      VAL  62   0.105   2.789  -2.324
  449    H    GLU  63           H        GLU  63   4.709   4.264   0.186
  450    HA   GLU  63           HA       GLU  63   4.646   3.803   3.132
  451    HB2  GLU  63          1HB       GLU  63   6.754   3.492   1.883
  452    HB3  GLU  63          2HB       GLU  63   6.680   5.205   1.404
  453    HG2  GLU  63          1HG       GLU  63   6.923   5.962   3.651
  454    HG3  GLU  63          2HG       GLU  63   6.686   4.345   4.308
  455    H    PHE  64           H        PHE  64   3.549   5.182   4.332
  456    HA   PHE  64           HA       PHE  64   2.927   7.912   3.363
  457    HB2  PHE  64          1HB       PHE  64   1.810   6.204   5.618
  458    HB3  PHE  64          2HB       PHE  64   1.391   7.886   5.351
  459    HD1  PHE  64          1HD       PHE  64   0.171   8.637   3.395
  460    HD2  PHE  64          2HD       PHE  64   0.970   4.457   4.056
  461    HE1  PHE  64          1HE       PHE  64  -1.564   8.034   1.709
  462    HE2  PHE  64          2HE       PHE  64  -0.769   3.860   2.377
  463    HZ   PHE  64           HZ       PHE  64  -2.057   5.671   1.234
  464    H    LEU  65           H        LEU  65   3.057   9.693   4.819
  465    HA   LEU  65           HA       LEU  65   5.542   9.994   6.154
  466    HB2  LEU  65          1HB       LEU  65   3.912  11.758   5.168
  467    HB3  LEU  65          2HB       LEU  65   3.025  11.597   6.690
  468    HG   LEU  65           HG       LEU  65   5.244  12.192   7.866
  469   HD11  LEU  65          1HD1      LEU  65   5.929  13.101   5.034
  470   HD12  LEU  65          2HD1      LEU  65   6.774  11.832   5.948
  471   HD13  LEU  65          3HD1      LEU  65   6.842  13.508   6.504
  472   HD21  LEU  65          1HD2      LEU  65   3.932  14.250   6.033
  473   HD22  LEU  65          2HD2      LEU  65   4.908  14.612   7.477
  474   HD23  LEU  65          3HD2      LEU  65   3.359  13.771   7.646
  475    H    SER  66           H        SER  66   2.401   8.938   7.413
  476    HA   SER  66           HA       SER  66   3.635   8.263  10.044
  477    HB2  SER  66          1HB       SER  66   1.042   9.834   9.851
  478    HB3  SER  66          2HB       SER  66   1.930   9.376  11.306
  479    HG   SER  66           HG       SER  66   3.645  10.752  10.616
  480    H    GLU  67           H        GLU  67   2.480   6.924  11.360
  481    HA   GLU  67           HA       GLU  67   1.533   4.600  10.049
  482    HB2  GLU  67          1HB       GLU  67   1.380   5.557  12.926
  483    HB3  GLU  67          2HB       GLU  67   1.012   3.915  12.399
  484    HG2  GLU  67          1HG       GLU  67   3.291   3.585  11.594
  485    HG3  GLU  67          2HG       GLU  67   3.715   5.249  11.997
  486    H    GLU  68           H        GLU  68  -0.304   7.255  11.554
  487    HA   GLU  68           HA       GLU  68  -2.868   5.933  11.451
  488    HB2  GLU  68          1HB       GLU  68  -3.798   8.103  11.980
  489    HB3  GLU  68          2HB       GLU  68  -2.412   7.739  13.005
  490    HG2  GLU  68          1HG       GLU  68  -0.986   9.215  11.561
  491    HG3  GLU  68          2HG       GLU  68  -2.409   9.614  10.596
  492    H    ASP  69           H        ASP  69  -1.019   7.690   9.045
  493    HA   ASP  69           HA       ASP  69  -3.253   8.027   7.166
  494    HB2  ASP  69          1HB       ASP  69  -0.240   8.280   6.877
  495    HB3  ASP  69          2HB       ASP  69  -1.375   8.622   5.592
  496    H    ALA  70           H        ALA  70  -0.702   5.616   7.805
  497    HA   ALA  70           HA       ALA  70  -1.327   3.950   5.519
  498    HB1  ALA  70          1HB       ALA  70  -0.013   2.236   6.810
  499    HB2  ALA  70          2HB       ALA  70   0.827   3.795   6.703
  500    HB3  ALA  70          3HB       ALA  70   0.017   3.310   8.205
  501    H    ASP  71           H        ASP  71  -2.396   3.887   8.977
  502    HA   ASP  71           HA       ASP  71  -4.203   1.719   8.820
  503    HB2  ASP  71          1HB       ASP  71  -3.845   4.103  10.569
  504    HB3  ASP  71          2HB       ASP  71  -5.473   3.451  10.535
  505    H    TYR  72           H        TYR  72  -4.702   5.100   7.789
  506    HA   TYR  72           HA       TYR  72  -7.524   4.748   7.202
  507    HB2  TYR  72          1HB       TYR  72  -6.323   6.919   7.760
  508    HB3  TYR  72          2HB       TYR  72  -5.678   6.899   6.123
  509    HD1  TYR  72          1HD       TYR  72  -8.538   7.655   8.235
  510    HD2  TYR  72          2HD       TYR  72  -7.350   6.912   4.159
  511    HE1  TYR  72          1HE       TYR  72 -10.636   8.728   7.420
  512    HE2  TYR  72          2HE       TYR  72  -9.419   8.017   3.344
  513    HH   TYR  72           HH       TYR  72 -11.378   9.062   3.929
  514    H    ALA  73           H        ALA  73  -4.523   4.475   5.210
  515    HA   ALA  73           HA       ALA  73  -5.923   4.183   2.693
  516    HB1  ALA  73          1HB       ALA  73  -3.544   4.817   2.913
  517    HB2  ALA  73          2HB       ALA  73  -3.166   3.214   3.573
  518    HB3  ALA  73          3HB       ALA  73  -3.756   3.374   1.902
  519    H    ILE  74           H        ILE  74  -4.911   1.865   5.203
  520    HA   ILE  74           HA       ILE  74  -5.795  -0.524   3.873
  521    HB   ILE  74           HB       ILE  74  -5.578   0.154   6.833
  522   HG12  ILE  74          1HG1      ILE  74  -3.617  -1.442   5.137
  523   HG13  ILE  74          2HG1      ILE  74  -3.473   0.302   5.321
  524   HG21  ILE  74          1HG2      ILE  74  -5.870  -2.542   5.435
  525   HG22  ILE  74          2HG2      ILE  74  -5.434  -2.348   7.148
  526   HG23  ILE  74          3HG2      ILE  74  -7.008  -1.814   6.586
  527   HD11  ILE  74          1HD1      ILE  74  -3.282   0.061   7.761
  528   HD12  ILE  74          2HD1      ILE  74  -3.339  -1.708   7.587
  529   HD13  ILE  74          3HD1      ILE  74  -2.010  -0.778   6.868
  530    H    LYS  75           H        LYS  75  -7.552   1.916   5.774
  531    HA   LYS  75           HA       LYS  75 -10.041   0.461   5.933
  532    HB2  LYS  75          1HB       LYS  75  -9.433   2.263   7.481
  533    HB3  LYS  75          2HB       LYS  75  -9.465   3.445   6.169
  534    HG2  LYS  75          1HG       LYS  75 -11.847   3.119   5.829
  535    HG3  LYS  75          2HG       LYS  75 -11.863   1.805   7.022
  536    HD2  LYS  75          1HD       LYS  75 -11.204   3.430   8.800
  537    HD3  LYS  75          2HD       LYS  75 -11.102   4.710   7.587
  538    HE2  LYS  75          1HE       LYS  75 -13.178   4.992   8.726
  539    HE3  LYS  75          2HE       LYS  75 -13.535   4.428   7.092
  540    HZ1  LYS  75          1HZ       LYS  75 -14.851   3.258   8.777
  541    HZ2  LYS  75          2HZ       LYS  75 -13.510   2.711   9.525
  542    HZ3  LYS  75          3HZ       LYS  75 -13.880   2.193   8.017
  543    H    ILE  76           H        ILE  76  -8.845   2.884   3.540
  544    HA   ILE  76           HA       ILE  76 -11.386   2.631   2.083
  545    HB   ILE  76           HB       ILE  76 -10.536   4.386   0.637
  546   HG12  ILE  76          1HG1      ILE  76  -8.194   4.811   2.514
  547   HG13  ILE  76          2HG1      ILE  76  -8.018   3.851   1.064
  548   HG21  ILE  76          1HG2      ILE  76 -11.845   4.811   2.741
  549   HG22  ILE  76          2HG2      ILE  76 -10.311   5.071   3.605
  550   HG23  ILE  76          3HG2      ILE  76 -10.798   6.160   2.292
  551   HD11  ILE  76          1HD1      ILE  76  -8.904   5.821  -0.257
  552   HD12  ILE  76          2HD1      ILE  76  -8.799   6.768   1.251
  553   HD13  ILE  76          3HD1      ILE  76  -7.340   6.065   0.527
  554    H    MET  77           H        MET  77  -8.013   1.586   1.429
  555    HA   MET  77           HA       MET  77  -8.754   0.951  -1.344
  556    HB2  MET  77          1HB       MET  77  -6.142   0.968   0.097
  557    HB3  MET  77          2HB       MET  77  -6.292   0.420  -1.563
  558    HG2  MET  77          1HG       MET  77  -7.275   3.152  -0.726
  559    HG3  MET  77          2HG       MET  77  -5.605   2.868  -1.145
  560    HE1  MET  77          1HE       MET  77  -7.054   4.856  -4.111
  561    HE2  MET  77          2HE       MET  77  -6.703   5.005  -2.385
  562    HE3  MET  77          3HE       MET  77  -5.438   4.428  -3.507
  563    H    ASP  78           H        ASP  78  -9.272  -0.776   1.289
  564    HA   ASP  78           HA       ASP  78  -8.294  -3.366   0.256
  565    HB2  ASP  78          1HB       ASP  78  -8.109  -2.834   2.672
  566    HB3  ASP  78          2HB       ASP  78  -9.874  -2.800   2.785
  567    H    MET  79           H        MET  79  -9.483  -4.945  -0.631
  568    HA   MET  79           HA       MET  79 -11.004  -5.889  -1.912
  569    HB2  MET  79          1HB       MET  79 -13.120  -4.682  -0.106
  570    HB3  MET  79          2HB       MET  79 -13.381  -5.955  -1.298
  571    HG2  MET  79          1HG       MET  79 -11.537  -6.150   1.101
  572    HG3  MET  79          2HG       MET  79 -13.142  -6.859   0.970
  573    HE1  MET  79          1HE       MET  79 -10.249  -8.167   1.710
  574    HE2  MET  79          2HE       MET  79 -11.786  -9.043   1.884
  575    HE3  MET  79          3HE       MET  79 -10.437  -9.787   0.993
  576    H    ILE  80           H        ILE  80 -10.317  -2.843  -2.288
  577    HA   ILE  80           HA       ILE  80 -12.293  -1.949  -4.240
  578    HB   ILE  80           HB       ILE  80  -9.658  -1.020  -3.178
  579   HG12  ILE  80          1HG1      ILE  80 -12.378   0.203  -3.736
  580   HG13  ILE  80          2HG1      ILE  80 -11.632  -0.164  -2.180
  581   HG21  ILE  80          1HG2      ILE  80 -10.564   0.025  -5.865
  582   HG22  ILE  80          2HG2      ILE  80  -9.213   0.612  -4.844
  583   HG23  ILE  80          3HG2      ILE  80  -9.115  -0.979  -5.548
  584   HD11  ILE  80          1HD1      ILE  80  -9.888   1.645  -2.763
  585   HD12  ILE  80          2HD1      ILE  80 -10.940   2.080  -4.118
  586   HD13  ILE  80          3HD1      ILE  80 -11.543   2.208  -2.460
  587    H    LYS  81           H        LYS  81 -12.011  -1.892  -6.508
  588    HA   LYS  81           HA       LYS  81 -10.404  -4.167  -7.596
  589    HB2  LYS  81          1HB       LYS  81 -13.064  -3.007  -8.461
  590    HB3  LYS  81          2HB       LYS  81 -12.173  -4.277  -9.319
  591    HG2  LYS  81          1HG       LYS  81 -12.267  -5.668  -7.187
  592    HG3  LYS  81          2HG       LYS  81 -13.332  -4.436  -6.504
  593    HD2  LYS  81          1HD       LYS  81 -14.774  -6.127  -7.285
  594    HD3  LYS  81          2HD       LYS  81 -14.880  -4.839  -8.495
  595    HE2  LYS  81          1HE       LYS  81 -13.168  -6.099  -9.873
  596    HE3  LYS  81          2HE       LYS  81 -13.235  -7.402  -8.682
  597    HZ1  LYS  81          1HZ       LYS  81 -14.722  -7.844 -10.553
  598    HZ2  LYS  81          2HZ       LYS  81 -15.551  -6.463 -10.293
  599    HZ3  LYS  81          3HZ       LYS  81 -15.603  -7.668  -9.191
  600    H    LEU  82           H        LEU  82  -8.624  -2.587  -7.641
  601    HA   LEU  82           HA       LEU  82  -8.507  -0.417  -9.500
  602    HB2  LEU  82          1HB       LEU  82  -6.888  -0.859  -7.658
  603    HB3  LEU  82          2HB       LEU  82  -6.305  -2.287  -8.510
  604    HG   LEU  82           HG       LEU  82  -5.385  -0.913 -10.304
  605   HD11  LEU  82          1HD1      LEU  82  -6.604   1.436  -8.789
  606   HD12  LEU  82          2HD1      LEU  82  -6.947   0.943 -10.463
  607   HD13  LEU  82          3HD1      LEU  82  -5.367   1.600 -10.051
  608   HD21  LEU  82          1HD2      LEU  82  -4.694   0.210  -7.551
  609   HD22  LEU  82          2HD2      LEU  82  -3.667   0.281  -8.995
  610   HD23  LEU  82          3HD2      LEU  82  -4.040  -1.284  -8.252
  611    H    TYR  83           H        TYR  83  -8.335  -0.379 -11.754
  612    HA   TYR  83           HA       TYR  83  -8.972  -1.240 -13.763
  613    HB2  TYR  83          1HB       TYR  83  -6.511  -2.929 -13.253
  614    HB3  TYR  83          2HB       TYR  83  -7.235  -2.644 -14.824
  615    HD1  TYR  83          1HD       TYR  83  -4.660  -1.590 -12.729
  616    HD2  TYR  83          2HD       TYR  83  -7.645  -0.060 -15.440
  617    HE1  TYR  83          1HE       TYR  83  -3.227   0.386 -13.192
  618    HE2  TYR  83          2HE       TYR  83  -6.214   1.931 -15.886
  619    HH   TYR  83           HH       TYR  83  -2.983   2.328 -14.399
  620    H    GLY  84           H        GLY  84 -10.490  -2.707 -11.649
  621    HA2  GLY  84          1HA       GLY  84 -12.190  -4.252 -11.820
  622    HA3  GLY  84          2HA       GLY  84 -11.628  -4.710 -13.422
  623    H    LYS  85           H        LYS  85  -9.548  -4.936 -10.568
  624    HA   LYS  85           HA       LYS  85  -9.785  -7.862 -10.343
  625    HB2  LYS  85          1HB       LYS  85  -7.946  -7.355 -11.928
  626    HB3  LYS  85          2HB       LYS  85  -7.190  -6.308 -10.720
  627    HG2  LYS  85          1HG       LYS  85  -6.960  -8.284  -9.193
  628    HG3  LYS  85          2HG       LYS  85  -7.681  -9.310 -10.447
  629    HD2  LYS  85          1HD       LYS  85  -5.820  -8.751 -11.987
  630    HD3  LYS  85          2HD       LYS  85  -5.118  -7.682 -10.752
  631    HE2  LYS  85          1HE       LYS  85  -4.892  -9.613  -9.208
  632    HE3  LYS  85          2HE       LYS  85  -5.574 -10.683 -10.441
  633    HZ1  LYS  85          1HZ       LYS  85  -3.040  -9.143 -10.728
  634    HZ2  LYS  85          2HZ       LYS  85  -3.670 -10.144 -11.866
  635    HZ3  LYS  85          3HZ       LYS  85  -3.143 -10.754 -10.449
  636    HA   PRO  86           HA       PRO  86 -10.143  -6.000  -6.309
  637    HB2  PRO  86          1HB       PRO  86 -10.523  -8.235  -4.736
  638    HB3  PRO  86          2HB       PRO  86 -11.763  -7.489  -5.790
  639    HG2  PRO  86          1HG       PRO  86  -9.971  -9.850  -6.391
  640    HG3  PRO  86          2HG       PRO  86 -11.731  -9.684  -6.689
  641    HD2  PRO  86          1HD       PRO  86  -9.899  -9.291  -8.652
  642    HD3  PRO  86          2HD       PRO  86 -11.356  -8.245  -8.566
  643    H    ILE  87           H        ILE  87  -8.676  -5.148  -5.035
  644    HA   ILE  87           HA       ILE  87  -6.124  -6.557  -4.507
  645    HB   ILE  87           HB       ILE  87  -5.240  -4.359  -3.818
  646   HG12  ILE  87          1HG1      ILE  87  -7.579  -3.055  -5.234
  647   HG13  ILE  87          2HG1      ILE  87  -7.594  -3.288  -3.482
  648   HG21  ILE  87          1HG2      ILE  87  -6.272  -4.614  -6.678
  649   HG22  ILE  87          2HG2      ILE  87  -4.943  -3.564  -6.158
  650   HG23  ILE  87          3HG2      ILE  87  -4.787  -5.319  -6.008
  651   HD11  ILE  87          1HD1      ILE  87  -5.515  -1.691  -5.041
  652   HD12  ILE  87          2HD1      ILE  87  -6.830  -1.042  -4.049
  653   HD13  ILE  87          3HD1      ILE  87  -5.521  -1.954  -3.280
  654    H    ARG  88           H        ARG  88  -5.243  -6.782  -2.549
  655    HA   ARG  88           HA       ARG  88  -7.019  -6.499  -0.147
  656    HB2  ARG  88          1HB       ARG  88  -6.530  -8.849  -0.953
  657    HB3  ARG  88          2HB       ARG  88  -4.816  -8.532  -0.707
  658    HG2  ARG  88          1HG       ARG  88  -5.542  -9.749   1.186
  659    HG3  ARG  88          2HG       ARG  88  -5.338  -8.090   1.750
  660    HD2  ARG  88          1HD       ARG  88  -7.844  -7.773   1.470
  661    HD3  ARG  88          2HD       ARG  88  -7.964  -9.457   0.994
  662    HE   ARG  88           HE       ARG  88  -7.554 -10.147   3.204
  663   HH11  ARG  88          1HH1      ARG  88  -7.463  -6.625   3.105
  664   HH12  ARG  88          2HH1      ARG  88  -7.023  -6.514   4.782
  665   HH21  ARG  88          1HH2      ARG  88  -7.075  -8.304   6.066
  666   HH22  ARG  88          2HH2      ARG  88  -7.239  -9.897   5.388
  667    H    VAL  89           H        VAL  89  -6.293  -5.247   1.472
  668    HA   VAL  89           HA       VAL  89  -3.474  -4.262   1.355
  669    HB   VAL  89           HB       VAL  89  -5.919  -2.561   1.922
  670   HG11  VAL  89          1HG1      VAL  89  -3.831  -1.712   2.980
  671   HG12  VAL  89          2HG1      VAL  89  -3.018  -1.764   1.407
  672   HG13  VAL  89          3HG1      VAL  89  -4.385  -0.663   1.678
  673   HG21  VAL  89          1HG2      VAL  89  -4.183  -2.807  -0.571
  674   HG22  VAL  89          2HG2      VAL  89  -5.918  -3.168  -0.458
  675   HG23  VAL  89          3HG2      VAL  89  -5.355  -1.505  -0.297
  676    H    ASN  90           H        ASN  90  -2.361  -4.030   3.160
  677    HA   ASN  90           HA       ASN  90  -3.547  -3.881   5.817
  678    HB2  ASN  90          1HB       ASN  90  -2.248  -5.888   6.679
  679    HB3  ASN  90          2HB       ASN  90  -3.631  -6.267   5.688
  680   HD21  ASN  90          1HD2      ASN  90  -0.014  -6.095   5.619
  681   HD22  ASN  90          2HD2      ASN  90   0.085  -7.275   4.325
  682    H    LYS  91           H        LYS  91  -1.659  -3.824   7.504
  683    HA   LYS  91           HA       LYS  91   0.323  -1.841   6.830
  684    HB2  LYS  91          1HB       LYS  91   0.436  -3.926   9.050
  685    HB3  LYS  91          2HB       LYS  91   1.311  -2.400   9.013
  686    HG2  LYS  91          1HG       LYS  91  -1.730  -2.607   9.146
  687    HG3  LYS  91          2HG       LYS  91  -0.713  -2.583  10.558
  688    HD2  LYS  91          1HD       LYS  91  -0.489  -0.306   8.558
  689    HD3  LYS  91          2HD       LYS  91  -1.844  -0.386   9.702
  690    HE2  LYS  91          1HE       LYS  91  -0.204  -0.636  11.568
  691    HE3  LYS  91          2HE       LYS  91   1.105  -0.321  10.401
  692    HZ1  LYS  91          1HZ       LYS  91   0.235   1.838  10.024
  693    HZ2  LYS  91          2HZ       LYS  91   0.322   1.662  11.644
  694    HZ3  LYS  91          3HZ       LYS  91  -1.140   1.553  10.923
  695    H    ALA  92           H        ALA  92   2.529  -2.067   6.237
  696    HA   ALA  92           HA       ALA  92   3.211  -4.465   4.772
  697    HB1  ALA  92          1HB       ALA  92   5.313  -3.296   4.307
  698    HB2  ALA  92          2HB       ALA  92   3.924  -2.213   4.092
  699    HB3  ALA  92          3HB       ALA  92   4.932  -2.095   5.555
  700    H    SER  93           H        SER  93   3.529  -3.703   8.090
  701    HA   SER  93           HA       SER  93   4.748  -6.344   8.532
  702    HB2  SER  93          1HB       SER  93   6.622  -4.739   8.843
  703    HB3  SER  93          2HB       SER  93   5.683  -3.917  10.111
  704    HG   SER  93           HG       SER  93   7.186  -5.648  10.801
  705    H    ALA  94           H        ALA  94   3.504  -7.440   9.920
  706    HA   ALA  94           HA       ALA  94   1.522  -6.005  11.633
  707    HB1  ALA  94          1HB       ALA  94   0.525  -6.576   9.441
  708    HB2  ALA  94          2HB       ALA  94   0.962  -8.282   9.688
  709    HB3  ALA  94          3HB       ALA  94  -0.224  -7.496  10.754
  710    H    HIS  95           H        HIS  95   4.073  -7.484  12.239
  711    HA   HIS  95           HA       HIS  95   3.201  -9.966  13.542
  712    HB2  HIS  95          1HB       HIS  95   5.968  -8.774  13.212
  713    HB3  HIS  95          2HB       HIS  95   5.601 -10.370  13.869
  714    HD2  HIS  95          2HD       HIS  95   5.852  -8.490  10.557
  715    HE1  HIS  95          1HE       HIS  95   4.814 -12.506   9.559
  716    HE2  HIS  95          2HE       HIS  95   5.553 -10.259   8.622
  717    H    ASN  96           H        ASN  96   2.015  -7.796  14.790
  718    HA   ASN  96           HA       ASN  96   3.403  -7.210  17.304
  719    HB2  ASN  96          1HB       ASN  96   1.482  -5.868  17.841
  720    HB3  ASN  96          2HB       ASN  96   2.052  -5.486  16.225
  721   HD21  ASN  96          1HD2      ASN  96  -0.431  -4.637  16.951
  722   HD22  ASN  96          2HD2      ASN  96  -1.643  -5.588  16.106
  723    H    LYS  97           H        LYS  97   3.440  -9.812  17.149
  724    HA   LYS  97           HA       LYS  97   1.141 -11.305  17.996
  725    HB2  LYS  97          1HB       LYS  97   4.109 -11.991  17.904
  726    HB3  LYS  97          2HB       LYS  97   2.822 -13.173  18.178
  727    HG2  LYS  97          1HG       LYS  97   1.848 -12.747  15.989
  728    HG3  LYS  97          2HG       LYS  97   2.979 -11.422  15.682
  729    HD2  LYS  97          1HD       LYS  97   4.885 -13.004  15.777
  730    HD3  LYS  97          2HD       LYS  97   3.745 -14.349  16.013
  731    HE2  LYS  97          1HE       LYS  97   2.668 -13.851  13.852
  732    HE3  LYS  97          2HE       LYS  97   3.700 -12.432  13.635
  733    HZ1  LYS  97          1HZ       LYS  97   4.558 -14.303  12.391
  734    HZ2  LYS  97          2HZ       LYS  97   4.673 -15.236  13.729
  735    HZ3  LYS  97          3HZ       LYS  97   5.626 -13.915  13.554
  736    H    ASN  98           H        ASN  98   3.330  -9.503  19.889
  737    HA   ASN  98           HA       ASN  98   1.959 -10.433  22.344
  738    HB2  ASN  98          1HB       ASN  98   4.166 -11.536  22.365
  739    HB3  ASN  98          2HB       ASN  98   4.967  -9.988  22.073
  740   HD21  ASN  98          1HD2      ASN  98   2.872 -11.706  24.448
  741   HD22  ASN  98          2HD2      ASN  98   3.463 -10.779  25.819
  742    H    LEU  99           H        LEU  99   1.322  -8.778  23.662
  743    HA   LEU  99           HA       LEU  99   1.707  -6.015  22.626
  744    HB2  LEU  99          1HB       LEU  99  -0.477  -7.345  24.249
  745    HB3  LEU  99          2HB       LEU  99  -0.265  -5.601  24.240
  746    HG   LEU  99           HG       LEU  99  -0.550  -5.527  21.786
  747   HD11  LEU  99          1HD1      LEU  99  -1.618  -7.486  20.648
  748   HD12  LEU  99          2HD1      LEU  99  -1.211  -8.492  22.057
  749   HD13  LEU  99          3HD1      LEU  99   0.070  -7.763  21.056
  750   HD21  LEU  99          1HD2      LEU  99  -2.808  -6.907  23.300
  751   HD22  LEU  99          2HD2      LEU  99  -2.976  -5.925  21.826
  752   HD23  LEU  99          3HD2      LEU  99  -2.442  -5.167  23.332
  753    H    SER 100           H        SER 100   2.427  -4.362  23.835
  754    HA   SER 100           HA       SER 100   3.977  -4.998  26.263
  755    HB2  SER 100          1HB       SER 100   4.886  -3.639  24.377
  756    HB3  SER 100          2HB       SER 100   3.726  -2.359  24.793
  757    HG   SER 100           HG       SER 100   5.796  -2.072  25.793
  758    H    GLY 101           H        GLY 101   3.849  -3.793  28.209
  759    HA2  GLY 101          1HA       GLY 101   1.976  -1.822  28.887
  760    HA3  GLY 101          2HA       GLY 101   1.213  -3.359  29.291
  761    HA   PRO 102           HA       PRO 102   4.970  -3.521  32.231
  762    HB2  PRO 102          1HB       PRO 102   6.987  -1.676  32.192
  763    HB3  PRO 102          2HB       PRO 102   6.929  -3.076  31.077
  764    HG2  PRO 102          1HG       PRO 102   5.977  -0.237  30.534
  765    HG3  PRO 102          2HG       PRO 102   7.087  -1.237  29.539
  766    HD2  PRO 102          1HD       PRO 102   4.445  -1.114  28.961
  767    HD3  PRO 102          2HD       PRO 102   5.339  -2.663  28.849
  768    H    SER 103           H        SER 103   3.618  -0.336  31.569
  769    HA   SER 103           HA       SER 103   3.970   0.764  34.217
  770    HB2  SER 103          1HB       SER 103   2.050   1.608  32.019
  771    HB3  SER 103          2HB       SER 103   2.569   2.578  33.410
  772    HG   SER 103           HG       SER 103   3.764   3.086  31.518
  773    H    SER 104           H        SER 104   1.702  -1.552  33.060
  774    HA   SER 104           HA       SER 104  -0.591  -0.758  34.627
  775    HB2  SER 104          1HB       SER 104   0.100  -3.419  33.336
  776    HB3  SER 104          2HB       SER 104  -1.478  -2.976  34.016
  777    HG   SER 104           HG       SER 104  -1.384  -2.614  31.747
  778    H    GLY 105           H        GLY 105  -1.465  -1.659  36.476
  779    HA2  GLY 105          1HA       GLY 105  -0.459  -3.816  38.034
  780    HA3  GLY 105          2HA       GLY 105   0.269  -2.326  38.640
  Start of MODEL   11
    1    H1   GLY   1          1H        GLY   1 -10.987  -4.912  14.825
    2    H2   GLY   1          2H        GLY   1 -10.498  -5.474  13.367
    3    H3   GLY   1          3H        GLY   1 -10.460  -3.865  13.678
    4    HA2  GLY   1          1HA       GLY   1  -8.234  -4.771  13.776
    5    HA3  GLY   1          2HA       GLY   1  -8.761  -4.150  15.351
    6    H    SER   2           H        SER   2  -6.697  -5.939  15.265
    7    HA   SER   2           HA       SER   2  -7.580  -8.684  15.682
    8    HB2  SER   2          1HB       SER   2  -5.193  -9.038  16.319
    9    HB3  SER   2          2HB       SER   2  -5.434  -8.338  14.711
   10    HG   SER   2           HG       SER   2  -3.777  -7.264  15.891
   11    H    SER   3           H        SER   3  -7.268  -9.909  17.616
   12    HA   SER   3           HA       SER   3  -8.085  -8.505  20.072
   13    HB2  SER   3          1HB       SER   3  -8.468 -10.799  20.923
   14    HB3  SER   3          2HB       SER   3  -9.367 -10.431  19.443
   15    HG   SER   3           HG       SER   3  -8.360 -12.498  19.360
   16    H    GLY   4           H        GLY   4  -7.134  -9.082  22.155
   17    HA2  GLY   4          1HA       GLY   4  -5.381  -9.369  23.644
   18    HA3  GLY   4          2HA       GLY   4  -4.451 -10.153  22.372
   19    H    SER   5           H        SER   5  -2.620  -9.024  23.311
   20    HA   SER   5           HA       SER   5  -2.406  -6.134  23.246
   21    HB2  SER   5          1HB       SER   5  -0.034  -6.587  23.851
   22    HB3  SER   5          2HB       SER   5  -1.218  -7.353  24.921
   23    HG   SER   5           HG       SER   5   0.405  -8.826  24.388
   24    H    SER   6           H        SER   6  -1.012  -4.856  21.973
   25    HA   SER   6           HA       SER   6   0.090  -5.959  19.454
   26    HB2  SER   6          1HB       SER   6  -1.052  -4.273  18.098
   27    HB3  SER   6          2HB       SER   6  -2.214  -5.337  18.902
   28    HG   SER   6           HG       SER   6  -2.819  -3.127  19.062
   29    H    GLY   7           H        GLY   7   1.377  -4.336  18.243
   30    HA2  GLY   7          1HA       GLY   7   2.258  -1.869  19.338
   31    HA3  GLY   7          2HA       GLY   7   3.391  -3.131  19.833
   32    HA   PRO   8           HA       PRO   8   4.308  -1.571  15.466
   33    HB2  PRO   8          1HB       PRO   8   6.545  -0.063  15.861
   34    HB3  PRO   8          2HB       PRO   8   4.894   0.574  16.135
   35    HG2  PRO   8          1HG       PRO   8   6.807  -0.584  18.196
   36    HG3  PRO   8          2HG       PRO   8   5.920   0.974  18.268
   37    HD2  PRO   8          1HD       PRO   8   4.978  -1.279  19.483
   38    HD3  PRO   8          2HD       PRO   8   3.869  -0.107  18.708
   39    H    ILE   9           H        ILE   9   6.156  -2.076  14.080
   40    HA   ILE   9           HA       ILE   9   7.505  -4.550  14.822
   41    HB   ILE   9           HB       ILE   9   6.624  -4.076  12.540
   42   HG12  ILE   9          1HG1      ILE   9   8.454  -5.027  11.229
   43   HG13  ILE   9          2HG1      ILE   9   9.600  -4.726  12.520
   44   HG21  ILE   9          1HG2      ILE   9   7.907  -2.723  10.966
   45   HG22  ILE   9          2HG2      ILE   9   7.344  -1.719  12.303
   46   HG23  ILE   9          3HG2      ILE   9   9.032  -2.236  12.242
   47   HD11  ILE   9          1HD1      ILE   9   7.159  -6.551  12.741
   48   HD12  ILE   9          2HD1      ILE   9   8.815  -7.091  12.403
   49   HD13  ILE   9          3HD1      ILE   9   8.437  -6.358  13.967
   50    H    SER  10           H        SER  10   9.763  -4.933  14.929
   51    HA   SER  10           HA       SER  10  11.223  -2.969  16.423
   52    HB2  SER  10          1HB       SER  10  12.211  -5.585  15.235
   53    HB3  SER  10          2HB       SER  10  12.932  -4.694  16.586
   54    HG   SER  10           HG       SER  10  11.065  -5.112  17.810
   55    H    GLU  11           H        GLU  11  11.003  -3.218  13.024
   56    HA   GLU  11           HA       GLU  11  13.674  -1.915  12.633
   57    HB2  GLU  11          1HB       GLU  11  12.444  -4.150  10.982
   58    HB3  GLU  11          2HB       GLU  11  13.857  -3.224  10.502
   59    HG2  GLU  11          1HG       GLU  11  13.639  -5.023  12.954
   60    HG3  GLU  11          2HG       GLU  11  14.445  -5.417  11.443
   61    H    ARG  12           H        ARG  12  13.674  -0.133  11.534
   62    HA   ARG  12           HA       ARG  12  13.067   1.698  10.325
   63    HB2  ARG  12          1HB       ARG  12  11.814  -0.338   8.444
   64    HB3  ARG  12          2HB       ARG  12  12.331   1.300   8.035
   65    HG2  ARG  12          1HG       ARG  12  14.682   0.678   8.696
   66    HG3  ARG  12          2HG       ARG  12  14.148  -1.001   8.855
   67    HD2  ARG  12          1HD       ARG  12  13.997   0.681   6.319
   68    HD3  ARG  12          2HD       ARG  12  15.228  -0.529   6.691
   69    HE   ARG  12           HE       ARG  12  12.323  -1.293   6.565
   70   HH11  ARG  12          1HH1      ARG  12  15.530  -1.792   5.207
   71   HH12  ARG  12          2HH1      ARG  12  14.985  -3.158   4.271
   72   HH21  ARG  12          1HH2      ARG  12  11.728  -2.923   5.394
   73   HH22  ARG  12          2HH2      ARG  12  12.854  -3.809   4.375
   74    H    ASN  13           H        ASN  13  10.988   2.473   8.764
   75    HA   ASN  13           HA       ASN  13   8.862   3.020  10.728
   76    HB2  ASN  13          1HB       ASN  13   8.187   4.784   9.228
   77    HB3  ASN  13          2HB       ASN  13   9.905   4.909   9.530
   78   HD21  ASN  13          1HD2      ASN  13   8.715   6.213   7.364
   79   HD22  ASN  13          2HD2      ASN  13   9.283   5.450   5.877
   80    H    GLN  14           H        GLN  14   8.934   0.272   9.594
   81    HA   GLN  14           HA       GLN  14   7.201   0.155   7.363
   82    HB2  GLN  14          1HB       GLN  14   8.772  -1.708   8.875
   83    HB3  GLN  14          2HB       GLN  14   7.140  -2.353   8.752
   84    HG2  GLN  14          1HG       GLN  14   8.329  -3.174   6.868
   85    HG3  GLN  14          2HG       GLN  14   7.235  -1.943   6.249
   86   HE21  GLN  14          1HE2      GLN  14   8.212   0.156   5.489
   87   HE22  GLN  14          2HE2      GLN  14   9.942   0.208   5.201
   88    H    ASP  15           H        ASP  15   6.185   0.623  10.618
   89    HA   ASP  15           HA       ASP  15   3.460  -0.339  10.221
   90    HB2  ASP  15          1HB       ASP  15   4.775   1.562  12.189
   91    HB3  ASP  15          2HB       ASP  15   3.023   1.354  12.124
   92    H    ALA  16           H        ALA  16   5.199   2.505   9.170
   93    HA   ALA  16           HA       ALA  16   2.734   3.881   8.283
   94    HB1  ALA  16          1HB       ALA  16   5.654   4.710   8.029
   95    HB2  ALA  16          2HB       ALA  16   4.216   5.699   7.698
   96    HB3  ALA  16          3HB       ALA  16   4.567   5.179   9.354
   97    H    THR  17           H        THR  17   4.527   1.304   7.157
   98    HA   THR  17           HA       THR  17   4.021   1.961   4.294
   99    HB   THR  17           HB       THR  17   5.460  -0.510   5.225
  100    HG1  THR  17          1HG       THR  17   6.542   2.057   4.809
  101   HG21  THR  17          1HG2      THR  17   4.790  -0.416   2.838
  102   HG22  THR  17          2HG2      THR  17   6.550  -0.342   3.004
  103   HG23  THR  17          3HG2      THR  17   5.639   1.132   2.652
  104    H    VAL  18           H        VAL  18   2.433   0.974   3.199
  105    HA   VAL  18           HA       VAL  18   0.933  -1.257   4.513
  106    HB   VAL  18           HB       VAL  18  -0.997  -0.734   3.244
  107   HG11  VAL  18          1HG1      VAL  18  -0.601   0.550   5.351
  108   HG12  VAL  18          2HG1      VAL  18   0.084   1.875   4.390
  109   HG13  VAL  18          3HG1      VAL  18  -1.613   1.423   4.181
  110   HG21  VAL  18          1HG2      VAL  18   0.514   1.580   2.000
  111   HG22  VAL  18          2HG2      VAL  18  -0.010   0.116   1.133
  112   HG23  VAL  18          3HG2      VAL  18  -1.211   1.229   1.792
  113    H    TYR  19           H        TYR  19   0.431  -3.060   3.347
  114    HA   TYR  19           HA       TYR  19   2.023  -3.661   0.888
  115    HB2  TYR  19          1HB       TYR  19   2.400  -5.291   2.583
  116    HB3  TYR  19          2HB       TYR  19   0.706  -5.338   3.042
  117    HD1  TYR  19          1HD       TYR  19  -0.913  -6.696   1.870
  118    HD2  TYR  19          2HD       TYR  19   3.154  -6.415   0.453
  119    HE1  TYR  19          1HE       TYR  19  -1.294  -8.650   0.370
  120    HE2  TYR  19          2HE       TYR  19   2.782  -8.393  -1.005
  121    HH   TYR  19           HH       TYR  19   1.299  -9.997  -1.703
  122    H    VAL  20           H        VAL  20   0.975  -4.215  -0.979
  123    HA   VAL  20           HA       VAL  20  -2.007  -4.278  -1.047
  124    HB   VAL  20           HB       VAL  20  -0.304  -2.940  -3.183
  125   HG11  VAL  20          1HG1      VAL  20  -2.451  -3.932  -3.946
  126   HG12  VAL  20          2HG1      VAL  20  -3.315  -3.045  -2.683
  127   HG13  VAL  20          3HG1      VAL  20  -2.510  -2.161  -3.995
  128   HG21  VAL  20          1HG2      VAL  20  -1.973  -1.603  -1.016
  129   HG22  VAL  20          2HG2      VAL  20  -0.209  -1.503  -1.202
  130   HG23  VAL  20          3HG2      VAL  20  -1.255  -0.799  -2.432
  131    H    GLY  21           H        GLY  21  -2.508  -6.307  -1.617
  132    HA2  GLY  21          1HA       GLY  21  -0.769  -7.809  -3.559
  133    HA3  GLY  21          2HA       GLY  21  -1.773  -8.544  -2.320
  134    H    GLY  22           H        GLY  22  -1.653  -8.723  -5.361
  135    HA2  GLY  22          1HA       GLY  22  -3.396  -9.741  -6.631
  136    HA3  GLY  22          2HA       GLY  22  -4.618  -8.841  -5.730
  137    H    LEU  23           H        LEU  23  -1.680  -7.561  -7.316
  138    HA   LEU  23           HA       LEU  23  -3.165  -5.328  -8.447
  139    HB2  LEU  23          1HB       LEU  23  -0.249  -6.186  -8.682
  140    HB3  LEU  23          2HB       LEU  23  -0.902  -4.655  -9.256
  141    HG   LEU  23           HG       LEU  23  -0.731  -5.564  -6.349
  142   HD11  LEU  23          1HD1      LEU  23   0.714  -3.368  -7.879
  143   HD12  LEU  23          2HD1      LEU  23   1.407  -4.933  -7.416
  144   HD13  LEU  23          3HD1      LEU  23   0.913  -3.774  -6.163
  145   HD21  LEU  23          1HD2      LEU  23  -1.934  -3.072  -7.606
  146   HD22  LEU  23          2HD2      LEU  23  -1.352  -3.111  -5.933
  147   HD23  LEU  23          3HD2      LEU  23  -2.660  -4.190  -6.440
  148    H    ASP  24           H        ASP  24  -3.227  -4.752 -10.641
  149    HA   ASP  24           HA       ASP  24  -3.284  -7.035 -12.509
  150    HB2  ASP  24          1HB       ASP  24  -5.287  -5.600 -12.337
  151    HB3  ASP  24          2HB       ASP  24  -4.326  -4.184 -12.763
  152    H    GLU  25           H        GLU  25  -2.316  -6.788 -14.706
  153    HA   GLU  25           HA       GLU  25   0.411  -6.001 -14.619
  154    HB2  GLU  25          1HB       GLU  25   0.480  -6.553 -16.957
  155    HB3  GLU  25          2HB       GLU  25  -0.481  -7.745 -16.086
  156    HG2  GLU  25          1HG       GLU  25  -2.569  -6.629 -16.898
  157    HG3  GLU  25          2HG       GLU  25  -1.590  -5.460 -17.781
  158    H    LYS  26           H        LYS  26  -2.386  -4.008 -15.362
  159    HA   LYS  26           HA       LYS  26  -0.901  -1.861 -16.665
  160    HB2  LYS  26          1HB       LYS  26  -3.674  -2.082 -15.494
  161    HB3  LYS  26          2HB       LYS  26  -3.037  -0.602 -16.228
  162    HG2  LYS  26          1HG       LYS  26  -2.655  -1.717 -18.356
  163    HG3  LYS  26          2HG       LYS  26  -3.089  -3.288 -17.675
  164    HD2  LYS  26          1HD       LYS  26  -4.905  -2.413 -18.994
  165    HD3  LYS  26          2HD       LYS  26  -5.371  -2.557 -17.287
  166    HE2  LYS  26          1HE       LYS  26  -5.068  -0.150 -16.956
  167    HE3  LYS  26          2HE       LYS  26  -4.454   0.036 -18.605
  168    HZ1  LYS  26          1HZ       LYS  26  -7.211  -0.837 -17.915
  169    HZ2  LYS  26          2HZ       LYS  26  -6.639  -0.641 -19.432
  170    HZ3  LYS  26          3HZ       LYS  26  -6.804   0.651 -18.452
  171    H    VAL  27           H        VAL  27  -1.047  -2.803 -13.370
  172    HA   VAL  27           HA       VAL  27  -0.958  -0.147 -12.178
  173    HB   VAL  27           HB       VAL  27  -0.311  -2.868 -10.985
  174   HG11  VAL  27          1HG1      VAL  27   0.760  -1.137  -9.628
  175   HG12  VAL  27          2HG1      VAL  27  -0.733  -0.186  -9.603
  176   HG13  VAL  27          3HG1      VAL  27  -0.656  -1.760  -8.810
  177   HG21  VAL  27          1HG2      VAL  27  -2.818  -1.124 -10.844
  178   HG22  VAL  27          2HG2      VAL  27  -2.674  -2.680 -11.683
  179   HG23  VAL  27          3HG2      VAL  27  -2.558  -2.618  -9.923
  180    H    SER  28           H        SER  28   0.739   1.055 -11.474
  181    HA   SER  28           HA       SER  28   3.517   0.007 -11.693
  182    HB2  SER  28          1HB       SER  28   4.257   2.045 -12.761
  183    HB3  SER  28          2HB       SER  28   2.970   1.323 -13.737
  184    HG   SER  28           HG       SER  28   2.589   3.540 -13.502
  185    H    GLU  29           H        GLU  29   5.105   1.338 -10.423
  186    HA   GLU  29           HA       GLU  29   4.144   1.902  -7.807
  187    HB2  GLU  29          1HB       GLU  29   6.728   2.437  -9.289
  188    HB3  GLU  29          2HB       GLU  29   6.494   3.184  -7.723
  189    HG2  GLU  29          1HG       GLU  29   6.680   1.244  -6.564
  190    HG3  GLU  29          2HG       GLU  29   5.802   0.317  -7.757
  191    HA   PRO  30           HA       PRO  30   4.092   6.634  -8.966
  192    HB2  PRO  30          1HB       PRO  30   3.359   6.274 -11.879
  193    HB3  PRO  30          2HB       PRO  30   4.165   7.664 -11.083
  194    HG2  PRO  30          1HG       PRO  30   5.648   5.873 -12.450
  195    HG3  PRO  30          2HG       PRO  30   6.206   6.418 -10.832
  196    HD2  PRO  30          1HD       PRO  30   4.730   3.876 -11.553
  197    HD3  PRO  30          2HD       PRO  30   6.163   4.094 -10.510
  198    H    LEU  31           H        LEU  31   1.972   4.119 -10.418
  199    HA   LEU  31           HA       LEU  31  -0.471   5.667 -10.082
  200    HB2  LEU  31          1HB       LEU  31  -0.276   3.734 -11.672
  201    HB3  LEU  31          2HB       LEU  31  -0.076   2.655 -10.295
  202    HG   LEU  31           HG       LEU  31  -2.371   3.417  -9.442
  203   HD11  LEU  31          1HD1      LEU  31  -3.871   4.361 -11.168
  204   HD12  LEU  31          2HD1      LEU  31  -2.477   4.561 -12.260
  205   HD13  LEU  31          3HD1      LEU  31  -2.576   5.489 -10.741
  206   HD21  LEU  31          1HD2      LEU  31  -2.076   1.279 -10.485
  207   HD22  LEU  31          2HD2      LEU  31  -2.041   2.006 -12.111
  208   HD23  LEU  31          3HD2      LEU  31  -3.542   2.001 -11.157
  209    H    LEU  32           H        LEU  32   1.111   3.017  -8.228
  210    HA   LEU  32           HA       LEU  32  -0.751   3.069  -6.058
  211    HB2  LEU  32          1HB       LEU  32   2.214   2.323  -5.960
  212    HB3  LEU  32          2HB       LEU  32   0.984   1.927  -4.760
  213    HG   LEU  32           HG       LEU  32   1.256   0.820  -7.546
  214   HD11  LEU  32          1HD1      LEU  32   1.130  -0.465  -4.784
  215   HD12  LEU  32          2HD1      LEU  32   2.621  -0.148  -5.706
  216   HD13  LEU  32          3HD1      LEU  32   1.418  -1.296  -6.333
  217   HD21  LEU  32          1HD2      LEU  32  -1.119   1.124  -7.259
  218   HD22  LEU  32          2HD2      LEU  32  -1.046   0.564  -5.565
  219   HD23  LEU  32          3HD2      LEU  32  -0.779  -0.579  -6.891
  220    H    TRP  33           H        TRP  33   1.936   5.187  -6.732
  221    HA   TRP  33           HA       TRP  33   1.887   6.481  -4.134
  222    HB2  TRP  33          1HB       TRP  33   3.746   6.483  -5.872
  223    HB3  TRP  33          2HB       TRP  33   2.832   7.668  -6.774
  224    HD1  TRP  33           HD       TRP  33   2.019   9.638  -4.368
  225    HE1  TRP  33          1HE       TRP  33   3.842  11.014  -3.176
  226    HE3  TRP  33          3HE       TRP  33   6.064   6.854  -5.672
  227    HZ2  TRP  33          2HZ       TRP  33   6.722  10.933  -2.879
  228    HZ3  TRP  33          3HZ       TRP  33   8.371   7.524  -4.951
  229    HH2  TRP  33           HH       TRP  33   8.697   9.560  -3.561
  230    H    GLU  34           H        GLU  34   0.815   7.770  -7.300
  231    HA   GLU  34           HA       GLU  34  -0.585   9.957  -6.148
  232    HB2  GLU  34          1HB       GLU  34  -0.858   8.684  -8.906
  233    HB3  GLU  34          2HB       GLU  34  -1.579  10.228  -8.428
  234    HG2  GLU  34          1HG       GLU  34   0.723  11.012  -7.761
  235    HG3  GLU  34          2HG       GLU  34   1.396   9.578  -8.524
  236    H    LEU  35           H        LEU  35  -1.837   6.746  -6.904
  237    HA   LEU  35           HA       LEU  35  -4.629   7.416  -6.561
  238    HB2  LEU  35          1HB       LEU  35  -3.516   5.306  -7.663
  239    HB3  LEU  35          2HB       LEU  35  -3.383   4.713  -6.006
  240    HG   LEU  35           HG       LEU  35  -5.937   5.146  -5.873
  241   HD11  LEU  35          1HD1      LEU  35  -6.166   6.449  -7.956
  242   HD12  LEU  35          2HD1      LEU  35  -7.136   4.970  -8.006
  243   HD13  LEU  35          3HD1      LEU  35  -5.599   5.048  -8.894
  244   HD21  LEU  35          1HD2      LEU  35  -4.923   2.925  -5.876
  245   HD22  LEU  35          2HD2      LEU  35  -4.820   2.954  -7.654
  246   HD23  LEU  35          3HD2      LEU  35  -6.406   2.938  -6.838
  247    H    PHE  36           H        PHE  36  -2.045   6.582  -4.279
  248    HA   PHE  36           HA       PHE  36  -3.926   6.144  -2.043
  249    HB2  PHE  36          1HB       PHE  36  -0.990   5.698  -2.505
  250    HB3  PHE  36          2HB       PHE  36  -1.604   5.735  -0.902
  251    HD1  PHE  36          1HD       PHE  36  -2.329   3.746   0.112
  252    HD2  PHE  36          2HD       PHE  36  -2.345   4.008  -4.179
  253    HE1  PHE  36          1HE       PHE  36  -3.063   1.382  -0.028
  254    HE2  PHE  36          2HE       PHE  36  -3.053   1.635  -4.325
  255    HZ   PHE  36           HZ       PHE  36  -3.453   0.329  -2.246
  256    H    LEU  37           H        LEU  37  -2.160   8.811  -3.320
  257    HA   LEU  37           HA       LEU  37  -1.798  10.440  -1.049
  258    HB2  LEU  37          1HB       LEU  37  -2.661  11.073  -3.892
  259    HB3  LEU  37          2HB       LEU  37  -2.325  12.324  -2.703
  260    HG   LEU  37           HG       LEU  37  -0.296  10.310  -3.706
  261   HD11  LEU  37          1HD1      LEU  37  -0.958  12.079  -5.341
  262   HD12  LEU  37          2HD1      LEU  37   0.725  12.232  -4.803
  263   HD13  LEU  37          3HD1      LEU  37  -0.525  13.312  -4.143
  264   HD21  LEU  37          1HD2      LEU  37   0.207  10.925  -1.407
  265   HD22  LEU  37          2HD2      LEU  37  -0.023  12.646  -1.774
  266   HD23  LEU  37          3HD2      LEU  37   1.340  11.746  -2.490
  267    H    GLN  38           H        GLN  38  -4.772   9.329  -2.326
  268    HA   GLN  38           HA       GLN  38  -6.601  11.276  -1.260
  269    HB2  GLN  38          1HB       GLN  38  -7.050   8.287  -1.685
  270    HB3  GLN  38          2HB       GLN  38  -8.293   9.540  -1.547
  271    HG2  GLN  38          1HG       GLN  38  -7.371  10.616  -3.632
  272    HG3  GLN  38          2HG       GLN  38  -6.221   9.268  -3.740
  273   HE21  GLN  38          1HE2      GLN  38  -6.960   7.209  -4.422
  274   HE22  GLN  38          2HE2      GLN  38  -8.592   6.981  -5.076
  275    H    ALA  39           H        ALA  39  -4.960   8.486   0.196
  276    HA   ALA  39           HA       ALA  39  -6.538   8.567   2.671
  277    HB1  ALA  39          1HB       ALA  39  -4.905   6.858   3.410
  278    HB2  ALA  39          2HB       ALA  39  -5.590   6.455   1.819
  279    HB3  ALA  39          3HB       ALA  39  -3.957   7.125   1.938
  280    H    GLY  40           H        GLY  40  -3.215   9.488   1.708
  281    HA2  GLY  40          1HA       GLY  40  -3.090  11.843   3.302
  282    HA3  GLY  40          2HA       GLY  40  -2.317  10.517   4.177
  283    HA   PRO  41           HA       PRO  41   0.706  12.559   1.205
  284    HB2  PRO  41          1HB       PRO  41   2.713  13.103   3.014
  285    HB3  PRO  41          2HB       PRO  41   1.333  14.192   2.682
  286    HG2  PRO  41          1HG       PRO  41   1.594  12.159   4.916
  287    HG3  PRO  41          2HG       PRO  41   1.110  13.878   5.046
  288    HD2  PRO  41          1HD       PRO  41  -0.710  11.867   4.958
  289    HD3  PRO  41          2HD       PRO  41  -1.039  13.388   4.081
  290    H    VAL  42           H        VAL  42   1.487  10.994   0.013
  291    HA   VAL  42           HA       VAL  42   2.829   8.605   1.116
  292    HB   VAL  42           HB       VAL  42   2.169   9.359  -1.744
  293   HG11  VAL  42          1HG1      VAL  42   4.127   7.883  -1.736
  294   HG12  VAL  42          2HG1      VAL  42   3.338   6.794  -0.572
  295   HG13  VAL  42          3HG1      VAL  42   2.713   6.959  -2.219
  296   HG21  VAL  42          1HG2      VAL  42   0.492   7.576  -1.605
  297   HG22  VAL  42          2HG2      VAL  42   0.908   7.291   0.099
  298   HG23  VAL  42          3HG2      VAL  42   0.152   8.818  -0.403
  299    H    VAL  43           H        VAL  43   4.898   8.255   1.089
  300    HA   VAL  43           HA       VAL  43   6.775  10.471   0.401
  301    HB   VAL  43           HB       VAL  43   7.218   8.137   2.303
  302   HG11  VAL  43          1HG1      VAL  43   8.803   9.700   3.402
  303   HG12  VAL  43          2HG1      VAL  43   9.263   9.376   1.722
  304   HG13  VAL  43          3HG1      VAL  43   8.469  10.915   2.156
  305   HG21  VAL  43          1HG2      VAL  43   5.236   9.311   3.113
  306   HG22  VAL  43          2HG2      VAL  43   6.616   9.621   4.156
  307   HG23  VAL  43          3HG2      VAL  43   6.078  10.874   3.007
  308    H    ASN  44           H        ASN  44   6.209   7.012  -0.053
  309    HA   ASN  44           HA       ASN  44   8.138   6.759  -2.223
  310    HB2  ASN  44          1HB       ASN  44   9.687   6.652  -0.371
  311    HB3  ASN  44          2HB       ASN  44   8.640   5.602   0.548
  312   HD21  ASN  44          1HD2      ASN  44   9.704   3.707   0.783
  313   HD22  ASN  44          2HD2      ASN  44  10.465   2.835  -0.558
  314    H    THR  45           H        THR  45   8.100   4.530  -3.129
  315    HA   THR  45           HA       THR  45   5.842   2.755  -2.413
  316    HB   THR  45           HB       THR  45   5.432   2.496  -4.971
  317    HG1  THR  45          1HG       THR  45   7.127   3.956  -5.560
  318   HG21  THR  45          1HG2      THR  45   3.755   3.362  -3.376
  319   HG22  THR  45          2HG2      THR  45   3.648   4.041  -4.995
  320   HG23  THR  45          3HG2      THR  45   4.357   5.013  -3.676
  321    H    HIS  46           H        HIS  46   6.086   0.586  -3.199
  322    HA   HIS  46           HA       HIS  46   8.648  -0.083  -4.566
  323    HB2  HIS  46          1HB       HIS  46   8.901  -0.182  -1.986
  324    HB3  HIS  46          2HB       HIS  46   7.733  -1.474  -2.025
  325    HD2  HIS  46          2HD       HIS  46   9.754  -2.979  -0.932
  326    HE1  HIS  46          1HE       HIS  46  11.842  -3.568  -4.605
  327    HE2  HIS  46          2HE       HIS  46  11.627  -4.344  -2.187
  328    H    MET  47           H        MET  47   8.275  -1.533  -6.173
  329    HA   MET  47           HA       MET  47   6.245  -3.695  -5.727
  330    HB2  MET  47          1HB       MET  47   6.494  -1.989  -8.219
  331    HB3  MET  47          2HB       MET  47   5.742  -3.587  -8.198
  332    HG2  MET  47          1HG       MET  47   4.069  -2.900  -6.634
  333    HG3  MET  47          2HG       MET  47   4.854  -1.345  -6.356
  334    HE1  MET  47          1HE       MET  47   4.193  -3.017  -9.961
  335    HE2  MET  47          2HE       MET  47   2.984  -3.613  -8.796
  336    HE3  MET  47          3HE       MET  47   2.496  -2.536 -10.132
  337    HA   PRO  48           HA       PRO  48  10.301  -5.541  -6.565
  338    HB2  PRO  48          1HB       PRO  48   8.759  -7.976  -5.658
  339    HB3  PRO  48          2HB       PRO  48  10.443  -7.497  -5.270
  340    HG2  PRO  48          1HG       PRO  48   8.490  -7.040  -3.472
  341    HG3  PRO  48          2HG       PRO  48   9.672  -5.743  -3.821
  342    HD2  PRO  48          1HD       PRO  48   6.868  -6.064  -4.936
  343    HD3  PRO  48          2HD       PRO  48   7.652  -4.603  -4.255
  344    H    LYS  49           H        LYS  49  11.019  -6.180  -8.492
  345    HA   LYS  49           HA       LYS  49   9.106  -7.120 -10.545
  346    HB2  LYS  49          1HB       LYS  49  11.992  -6.252 -10.917
  347    HB3  LYS  49          2HB       LYS  49  10.777  -6.473 -12.168
  348    HG2  LYS  49          1HG       LYS  49  10.860  -4.295 -10.054
  349    HG3  LYS  49          2HG       LYS  49  11.153  -4.124 -11.785
  350    HD2  LYS  49          1HD       LYS  49   8.767  -4.811 -12.216
  351    HD3  LYS  49          2HD       LYS  49   8.483  -4.803 -10.472
  352    HE2  LYS  49          1HE       LYS  49   9.264  -2.430 -12.225
  353    HE3  LYS  49          2HE       LYS  49   7.700  -2.722 -11.458
  354    HZ1  LYS  49          1HZ       LYS  49  10.237  -2.020 -10.107
  355    HZ2  LYS  49          2HZ       LYS  49   8.966  -2.634  -9.283
  356    HZ3  LYS  49          3HZ       LYS  49   8.817  -1.202 -10.054
  357    H    ASP  50           H        ASP  50   9.411  -8.799 -11.923
  358    HA   ASP  50           HA       ASP  50  10.759 -11.205 -11.028
  359    HB2  ASP  50          1HB       ASP  50   8.697 -11.236 -12.384
  360    HB3  ASP  50          2HB       ASP  50   9.520 -10.377 -13.681
  361    H    ARG  51           H        ARG  51  12.744 -12.033 -11.640
  362    HA   ARG  51           HA       ARG  51  14.667 -10.105 -12.655
  363    HB2  ARG  51          1HB       ARG  51  16.358 -11.593 -11.882
  364    HB3  ARG  51          2HB       ARG  51  15.086 -11.483 -10.669
  365    HG2  ARG  51          1HG       ARG  51  14.177 -13.690 -11.446
  366    HG3  ARG  51          2HG       ARG  51  15.496 -13.788 -12.634
  367    HD2  ARG  51          1HD       ARG  51  17.156 -13.689 -10.803
  368    HD3  ARG  51          2HD       ARG  51  15.837 -13.616  -9.615
  369    HE   ARG  51           HE       ARG  51  15.413 -15.907 -11.231
  370   HH11  ARG  51          1HH1      ARG  51  17.758 -14.870  -8.844
  371   HH12  ARG  51          2HH1      ARG  51  18.137 -16.505  -8.372
  372   HH21  ARG  51          1HH2      ARG  51  15.942 -17.966 -10.582
  373   HH22  ARG  51          2HH2      ARG  51  17.130 -18.207  -9.335
  374    H    VAL  52           H        VAL  52  12.739 -11.764 -14.587
  375    HA   VAL  52           HA       VAL  52  14.840 -12.239 -16.681
  376    HB   VAL  52           HB       VAL  52  12.402 -14.003 -16.205
  377   HG11  VAL  52          1HG1      VAL  52  14.778 -14.291 -18.094
  378   HG12  VAL  52          2HG1      VAL  52  13.510 -15.509 -17.836
  379   HG13  VAL  52          3HG1      VAL  52  13.095 -13.959 -18.564
  380   HG21  VAL  52          1HG2      VAL  52  13.980 -14.450 -14.407
  381   HG22  VAL  52          2HG2      VAL  52  14.056 -15.768 -15.572
  382   HG23  VAL  52          3HG2      VAL  52  15.335 -14.531 -15.560
  383    H    THR  53           H        THR  53  11.467 -11.439 -15.920
  384    HA   THR  53           HA       THR  53  11.029 -10.414 -18.683
  385    HB   THR  53           HB       THR  53   8.617 -10.500 -18.111
  386    HG1  THR  53          1HG       THR  53   9.532 -11.838 -15.785
  387   HG21  THR  53          1HG2      THR  53  10.025 -13.171 -17.660
  388   HG22  THR  53          2HG2      THR  53   9.675 -12.440 -19.242
  389   HG23  THR  53          3HG2      THR  53   8.343 -12.923 -18.177
  390    H    GLY  54           H        GLY  54  11.496  -9.378 -15.430
  391    HA2  GLY  54          1HA       GLY  54  11.871  -7.311 -14.617
  392    HA3  GLY  54          2HA       GLY  54  11.710  -6.694 -16.261
  393    H    GLN  55           H        GLN  55   8.882  -8.304 -15.292
  394    HA   GLN  55           HA       GLN  55   7.435  -5.760 -14.739
  395    HB2  GLN  55          1HB       GLN  55   5.397  -7.084 -15.254
  396    HB3  GLN  55          2HB       GLN  55   6.521  -6.905 -16.598
  397    HG2  GLN  55          1HG       GLN  55   7.317  -9.179 -16.342
  398    HG3  GLN  55          2HG       GLN  55   6.381  -9.412 -14.863
  399   HE21  GLN  55          1HE2      GLN  55   6.059  -8.787 -18.410
  400   HE22  GLN  55          2HE2      GLN  55   4.473  -9.536 -18.523
  401    H    HIS  56           H        HIS  56   5.614  -5.900 -13.112
  402    HA   HIS  56           HA       HIS  56   6.748  -6.763 -10.592
  403    HB2  HIS  56          1HB       HIS  56   4.968  -5.695  -9.538
  404    HB3  HIS  56          2HB       HIS  56   5.353  -4.703 -10.935
  405    HD2  HIS  56          2HD       HIS  56   3.303  -4.088 -12.479
  406    HE1  HIS  56          1HE       HIS  56   0.420  -6.783 -10.874
  407    HE2  HIS  56          2HE       HIS  56   0.762  -4.820 -12.429
  408    H    GLN  57           H        GLN  57   5.738  -8.087  -9.001
  409    HA   GLN  57           HA       GLN  57   4.926 -10.662 -10.213
  410    HB2  GLN  57          1HB       GLN  57   6.239  -9.931  -7.585
  411    HB3  GLN  57          2HB       GLN  57   5.815 -11.586  -8.052
  412    HG2  GLN  57          1HG       GLN  57   7.289 -11.528  -9.975
  413    HG3  GLN  57          2HG       GLN  57   7.639  -9.814  -9.741
  414   HE21  GLN  57          1HE2      GLN  57   8.690  -9.183  -7.659
  415   HE22  GLN  57          2HE2      GLN  57   9.867 -10.320  -6.986
  416    H    GLY  58           H        GLY  58   2.915  -8.504  -9.636
  417    HA2  GLY  58          1HA       GLY  58   0.631  -8.731  -9.282
  418    HA3  GLY  58          2HA       GLY  58   0.880 -10.250  -8.428
  419    H    TYR  59           H        TYR  59   2.943  -7.932  -7.063
  420    HA   TYR  59           HA       TYR  59   0.949  -6.781  -5.227
  421    HB2  TYR  59          1HB       TYR  59   1.977  -7.594  -3.238
  422    HB3  TYR  59          2HB       TYR  59   1.542  -8.965  -4.234
  423    HD1  TYR  59          1HD       TYR  59   4.288  -7.109  -2.659
  424    HD2  TYR  59          2HD       TYR  59   3.318 -10.281  -5.423
  425    HE1  TYR  59          1HE       TYR  59   6.615  -7.984  -2.491
  426    HE2  TYR  59          2HE       TYR  59   5.653 -11.119  -5.287
  427    HH   TYR  59           HH       TYR  59   7.727 -10.842  -4.340
  428    H    GLY  60           H        GLY  60   1.795  -5.183  -3.791
  429    HA2  GLY  60          1HA       GLY  60   4.419  -3.949  -4.340
  430    HA3  GLY  60          2HA       GLY  60   2.984  -3.025  -4.792
  431    H    PHE  61           H        PHE  61   4.356  -1.696  -3.177
  432    HA   PHE  61           HA       PHE  61   2.908  -1.715  -0.599
  433    HB2  PHE  61          1HB       PHE  61   5.907  -1.301  -0.862
  434    HB3  PHE  61          2HB       PHE  61   4.982  -1.186   0.608
  435    HD1  PHE  61          1HD       PHE  61   6.381  -3.534  -1.899
  436    HD2  PHE  61          2HD       PHE  61   4.375  -3.138   1.895
  437    HE1  PHE  61          1HE       PHE  61   6.941  -5.890  -1.358
  438    HE2  PHE  61          2HE       PHE  61   4.954  -5.496   2.444
  439    HZ   PHE  61           HZ       PHE  61   6.228  -6.876   0.813
  440    H    VAL  62           H        VAL  62   2.786   0.312   0.421
  441    HA   VAL  62           HA       VAL  62   3.766   2.714  -1.062
  442    HB   VAL  62           HB       VAL  62   0.975   2.585   0.135
  443   HG11  VAL  62          1HG1      VAL  62   1.960   4.830   0.053
  444   HG12  VAL  62          2HG1      VAL  62   2.351   4.603  -1.672
  445   HG13  VAL  62          3HG1      VAL  62   0.666   4.670  -1.128
  446   HG21  VAL  62          1HG2      VAL  62   0.160   2.629  -2.224
  447   HG22  VAL  62          2HG2      VAL  62   1.819   2.284  -2.755
  448   HG23  VAL  62          3HG2      VAL  62   0.918   1.102  -1.780
  449    H    GLU  63           H        GLU  63   4.716   4.189   0.229
  450    HA   GLU  63           HA       GLU  63   4.689   3.707   3.181
  451    HB2  GLU  63          1HB       GLU  63   6.810   3.393   1.892
  452    HB3  GLU  63          2HB       GLU  63   6.733   5.111   1.456
  453    HG2  GLU  63          1HG       GLU  63   6.839   5.739   3.835
  454    HG3  GLU  63          2HG       GLU  63   6.906   4.032   4.294
  455    H    PHE  64           H        PHE  64   3.614   5.118   4.369
  456    HA   PHE  64           HA       PHE  64   2.978   7.830   3.339
  457    HB2  PHE  64          1HB       PHE  64   1.841   6.113   5.569
  458    HB3  PHE  64          2HB       PHE  64   1.434   7.804   5.346
  459    HD1  PHE  64          1HD       PHE  64   0.210   8.617   3.408
  460    HD2  PHE  64          2HD       PHE  64   1.019   4.417   3.930
  461    HE1  PHE  64          1HE       PHE  64  -1.535   8.067   1.721
  462    HE2  PHE  64          2HE       PHE  64  -0.727   3.874   2.241
  463    HZ   PHE  64           HZ       PHE  64  -2.033   5.724   1.175
  464    H    LEU  65           H        LEU  65   3.086   9.645   4.769
  465    HA   LEU  65           HA       LEU  65   5.576   9.968   6.097
  466    HB2  LEU  65          1HB       LEU  65   3.990  11.728   5.065
  467    HB3  LEU  65          2HB       LEU  65   3.056  11.591   6.563
  468    HG   LEU  65           HG       LEU  65   5.233  12.183   7.802
  469   HD11  LEU  65          1HD1      LEU  65   6.832  11.789   5.949
  470   HD12  LEU  65          2HD1      LEU  65   6.893  13.473   6.484
  471   HD13  LEU  65          3HD1      LEU  65   6.032  13.053   4.987
  472   HD21  LEU  65          1HD2      LEU  65   4.010  14.233   5.899
  473   HD22  LEU  65          2HD2      LEU  65   4.934  14.602   7.373
  474   HD23  LEU  65          3HD2      LEU  65   3.373  13.777   7.495
  475    H    SER  66           H        SER  66   2.399   9.064   7.372
  476    HA   SER  66           HA       SER  66   3.591   8.417  10.040
  477    HB2  SER  66          1HB       SER  66   0.987   9.939   9.668
  478    HB3  SER  66          2HB       SER  66   1.750   9.488  11.191
  479    HG   SER  66           HG       SER  66   2.139  11.682  10.629
  480    H    GLU  67           H        GLU  67   2.557   6.976  11.259
  481    HA   GLU  67           HA       GLU  67   1.484   4.660  10.056
  482    HB2  GLU  67          1HB       GLU  67   1.326   5.767  12.888
  483    HB3  GLU  67          2HB       GLU  67   0.926   4.111  12.428
  484    HG2  GLU  67          1HG       GLU  67   3.215   3.691  11.696
  485    HG3  GLU  67          2HG       GLU  67   3.667   5.363  12.001
  486    H    GLU  68           H        GLU  68  -0.193   7.473  11.424
  487    HA   GLU  68           HA       GLU  68  -2.852   6.390  11.459
  488    HB2  GLU  68          1HB       GLU  68  -1.867   9.264  11.179
  489    HB3  GLU  68          2HB       GLU  68  -3.511   8.800  11.606
  490    HG2  GLU  68          1HG       GLU  68  -1.057   8.113  13.296
  491    HG3  GLU  68          2HG       GLU  68  -2.025   9.552  13.509
  492    H    ASP  69           H        ASP  69  -0.966   7.961   8.912
  493    HA   ASP  69           HA       ASP  69  -3.213   8.247   7.048
  494    HB2  ASP  69          1HB       ASP  69  -0.199   8.503   6.751
  495    HB3  ASP  69          2HB       ASP  69  -1.337   8.833   5.462
  496    H    ALA  70           H        ALA  70  -0.735   5.829   7.779
  497    HA   ALA  70           HA       ALA  70  -1.247   4.170   5.444
  498    HB1  ALA  70          1HB       ALA  70   0.901   4.114   6.636
  499    HB2  ALA  70          2HB       ALA  70   0.100   3.586   8.129
  500    HB3  ALA  70          3HB       ALA  70   0.127   2.521   6.718
  501    H    ASP  71           H        ASP  71  -2.295   4.052   8.902
  502    HA   ASP  71           HA       ASP  71  -4.040   1.839   8.739
  503    HB2  ASP  71          1HB       ASP  71  -3.317   2.958  10.811
  504    HB3  ASP  71          2HB       ASP  71  -4.286   4.374  10.399
  505    H    TYR  72           H        TYR  72  -4.653   5.231   7.808
  506    HA   TYR  72           HA       TYR  72  -7.461   4.826   7.224
  507    HB2  TYR  72          1HB       TYR  72  -6.301   7.023   7.750
  508    HB3  TYR  72          2HB       TYR  72  -5.654   6.996   6.115
  509    HD1  TYR  72          1HD       TYR  72  -8.567   7.633   8.221
  510    HD2  TYR  72          2HD       TYR  72  -7.287   7.042   4.147
  511    HE1  TYR  72          1HE       TYR  72 -10.688   8.657   7.399
  512    HE2  TYR  72          2HE       TYR  72  -9.388   8.091   3.328
  513    HH   TYR  72           HH       TYR  72 -11.389   9.053   3.907
  514    H    ALA  73           H        ALA  73  -4.473   4.587   5.205
  515    HA   ALA  73           HA       ALA  73  -5.896   4.245   2.710
  516    HB1  ALA  73          1HB       ALA  73  -3.731   3.494   1.883
  517    HB2  ALA  73          2HB       ALA  73  -3.525   4.935   2.898
  518    HB3  ALA  73          3HB       ALA  73  -3.105   3.335   3.539
  519    H    ILE  74           H        ILE  74  -4.779   1.956   5.215
  520    HA   ILE  74           HA       ILE  74  -5.632  -0.452   3.891
  521    HB   ILE  74           HB       ILE  74  -5.402   0.165   6.866
  522   HG12  ILE  74          1HG1      ILE  74  -3.377  -1.286   5.111
  523   HG13  ILE  74          2HG1      ILE  74  -3.308   0.451   5.361
  524   HG21  ILE  74          1HG2      ILE  74  -6.736  -1.868   6.536
  525   HG22  ILE  74          2HG2      ILE  74  -5.567  -2.480   5.354
  526   HG23  ILE  74          3HG2      ILE  74  -5.134  -2.356   7.067
  527   HD11  ILE  74          1HD1      ILE  74  -3.022   0.175   7.756
  528   HD12  ILE  74          2HD1      ILE  74  -3.128  -1.594   7.594
  529   HD13  ILE  74          3HD1      ILE  74  -1.791  -0.709   6.848
  530    H    LYS  75           H        LYS  75  -7.409   1.941   5.835
  531    HA   LYS  75           HA       LYS  75  -9.869   0.439   6.005
  532    HB2  LYS  75          1HB       LYS  75  -9.297   2.238   7.559
  533    HB3  LYS  75          2HB       LYS  75  -9.351   3.431   6.260
  534    HG2  LYS  75          1HG       LYS  75 -11.731   3.052   5.912
  535    HG3  LYS  75          2HG       LYS  75 -11.721   1.744   7.111
  536    HD2  LYS  75          1HD       LYS  75 -11.074   3.379   8.872
  537    HD3  LYS  75          2HD       LYS  75 -11.059   4.679   7.659
  538    HE2  LYS  75          1HE       LYS  75 -13.465   4.268   7.194
  539    HE3  LYS  75          2HE       LYS  75 -13.482   2.972   8.396
  540    HZ1  LYS  75          1HZ       LYS  75 -12.916   5.831   8.984
  541    HZ2  LYS  75          2HZ       LYS  75 -12.929   4.632  10.096
  542    HZ3  LYS  75          3HZ       LYS  75 -14.306   5.054   9.331
  543    H    ILE  76           H        ILE  76  -8.766   2.919   3.612
  544    HA   ILE  76           HA       ILE  76 -11.321   2.611   2.198
  545    HB   ILE  76           HB       ILE  76 -10.519   4.369   0.721
  546   HG12  ILE  76          1HG1      ILE  76  -8.174   4.864   2.571
  547   HG13  ILE  76          2HG1      ILE  76  -7.987   3.884   1.136
  548   HG21  ILE  76          1HG2      ILE  76 -10.287   5.072   3.684
  549   HG22  ILE  76          2HG2      ILE  76 -10.795   6.151   2.371
  550   HG23  ILE  76          3HG2      ILE  76 -11.820   4.788   2.827
  551   HD11  ILE  76          1HD1      ILE  76  -7.361   6.109   0.567
  552   HD12  ILE  76          2HD1      ILE  76  -8.920   5.815  -0.211
  553   HD13  ILE  76          3HD1      ILE  76  -8.836   6.787   1.284
  554    H    MET  77           H        MET  77  -7.952   1.600   1.496
  555    HA   MET  77           HA       MET  77  -8.728   0.960  -1.269
  556    HB2  MET  77          1HB       MET  77  -6.090   0.990   0.130
  557    HB3  MET  77          2HB       MET  77  -6.272   0.460  -1.536
  558    HG2  MET  77          1HG       MET  77  -7.239   3.179  -0.637
  559    HG3  MET  77          2HG       MET  77  -5.585   2.899  -1.112
  560    HE1  MET  77          1HE       MET  77  -6.734   5.065  -2.316
  561    HE2  MET  77          2HE       MET  77  -5.440   4.467  -3.392
  562    HE3  MET  77          3HE       MET  77  -7.031   4.907  -4.052
  563    H    ASP  78           H        ASP  78  -9.182  -0.759   1.380
  564    HA   ASP  78           HA       ASP  78  -8.239  -3.347   0.323
  565    HB2  ASP  78          1HB       ASP  78  -8.005  -2.849   2.746
  566    HB3  ASP  78          2HB       ASP  78  -9.769  -2.815   2.895
  567    H    MET  79           H        MET  79  -9.503  -4.965  -0.484
  568    HA   MET  79           HA       MET  79 -11.080  -5.851  -1.776
  569    HB2  MET  79          1HB       MET  79 -12.922  -4.664   0.305
  570    HB3  MET  79          2HB       MET  79 -13.549  -5.561  -1.073
  571    HG2  MET  79          1HG       MET  79 -11.484  -6.662   0.854
  572    HG3  MET  79          2HG       MET  79 -13.223  -6.961   0.931
  573    HE1  MET  79          1HE       MET  79 -11.878 -10.420  -0.205
  574    HE2  MET  79          2HE       MET  79 -11.261  -9.255   0.993
  575    HE3  MET  79          3HE       MET  79 -13.007  -9.565   0.878
  576    H    ILE  80           H        ILE  80 -10.273  -2.853  -2.200
  577    HA   ILE  80           HA       ILE  80 -12.268  -1.941  -4.134
  578    HB   ILE  80           HB       ILE  80  -9.636  -1.011  -3.083
  579   HG12  ILE  80          1HG1      ILE  80 -12.346   0.218  -3.675
  580   HG13  ILE  80          2HG1      ILE  80 -11.617  -0.141  -2.110
  581   HG21  ILE  80          1HG2      ILE  80 -10.520   0.003  -5.787
  582   HG22  ILE  80          2HG2      ILE  80  -9.172   0.593  -4.765
  583   HG23  ILE  80          3HG2      ILE  80  -9.081  -1.008  -5.449
  584   HD11  ILE  80          1HD1      ILE  80 -10.900   2.085  -4.056
  585   HD12  ILE  80          2HD1      ILE  80 -11.508   2.224  -2.400
  586   HD13  ILE  80          3HD1      ILE  80  -9.856   1.651  -2.696
  587    H    LYS  81           H        LYS  81 -12.000  -1.897  -6.401
  588    HA   LYS  81           HA       LYS  81 -10.451  -4.214  -7.484
  589    HB2  LYS  81          1HB       LYS  81 -13.087  -2.996  -8.341
  590    HB3  LYS  81          2HB       LYS  81 -12.229  -4.286  -9.202
  591    HG2  LYS  81          1HG       LYS  81 -12.342  -5.672  -7.067
  592    HG3  LYS  81          2HG       LYS  81 -13.378  -4.418  -6.382
  593    HD2  LYS  81          1HD       LYS  81 -14.854  -6.086  -7.160
  594    HD3  LYS  81          2HD       LYS  81 -14.943  -4.792  -8.364
  595    HE2  LYS  81          1HE       LYS  81 -13.266  -6.076  -9.760
  596    HE3  LYS  81          2HE       LYS  81 -13.343  -7.381  -8.570
  597    HZ1  LYS  81          1HZ       LYS  81 -15.657  -6.401 -10.160
  598    HZ2  LYS  81          2HZ       LYS  81 -15.719  -7.607  -9.061
  599    HZ3  LYS  81          3HZ       LYS  81 -14.853  -7.794 -10.429
  600    H    LEU  82           H        LEU  82  -8.635  -2.678  -7.546
  601    HA   LEU  82           HA       LEU  82  -8.489  -0.504  -9.390
  602    HB2  LEU  82          1HB       LEU  82  -6.872  -1.002  -7.555
  603    HB3  LEU  82          2HB       LEU  82  -6.306  -2.417  -8.439
  604    HG   LEU  82           HG       LEU  82  -5.384  -1.004 -10.209
  605   HD11  LEU  82          1HD1      LEU  82  -6.928   0.860 -10.329
  606   HD12  LEU  82          2HD1      LEU  82  -5.358   1.511  -9.873
  607   HD13  LEU  82          3HD1      LEU  82  -6.609   1.300  -8.636
  608   HD21  LEU  82          1HD2      LEU  82  -3.653   0.148  -8.882
  609   HD22  LEU  82          2HD2      LEU  82  -4.031  -1.429  -8.170
  610   HD23  LEU  82          3HD2      LEU  82  -4.674   0.054  -7.434
  611    H    TYR  83           H        TYR  83  -8.345  -0.448 -11.638
  612    HA   TYR  83           HA       TYR  83  -9.022  -1.282 -13.643
  613    HB2  TYR  83          1HB       TYR  83  -6.542  -2.966 -13.225
  614    HB3  TYR  83          2HB       TYR  83  -7.286  -2.616 -14.776
  615    HD1  TYR  83          1HD       TYR  83  -4.619  -1.707 -12.796
  616    HD2  TYR  83          2HD       TYR  83  -7.784   0.066 -15.130
  617    HE1  TYR  83          1HE       TYR  83  -3.214   0.304 -13.173
  618    HE2  TYR  83          2HE       TYR  83  -6.385   2.101 -15.473
  619    HH   TYR  83           HH       TYR  83  -3.056   2.366 -14.189
  620    H    GLY  84           H        GLY  84 -10.535  -2.745 -11.576
  621    HA2  GLY  84          1HA       GLY  84 -12.243  -4.275 -11.765
  622    HA3  GLY  84          2HA       GLY  84 -11.675  -4.723 -13.369
  623    H    LYS  85           H        LYS  85  -9.644  -4.992 -10.483
  624    HA   LYS  85           HA       LYS  85  -9.913  -7.913 -10.273
  625    HB2  LYS  85          1HB       LYS  85  -8.062  -7.443 -11.857
  626    HB3  LYS  85          2HB       LYS  85  -7.290  -6.404 -10.653
  627    HG2  LYS  85          1HG       LYS  85  -7.085  -8.375  -9.120
  628    HG3  LYS  85          2HG       LYS  85  -7.832  -9.396 -10.363
  629    HD2  LYS  85          1HD       LYS  85  -5.968  -8.875 -11.917
  630    HD3  LYS  85          2HD       LYS  85  -5.239  -7.817 -10.689
  631    HE2  LYS  85          1HE       LYS  85  -5.046  -9.750  -9.141
  632    HE3  LYS  85          2HE       LYS  85  -5.756 -10.809 -10.368
  633    HZ1  LYS  85          1HZ       LYS  85  -3.327 -10.931 -10.390
  634    HZ2  LYS  85          2HZ       LYS  85  -3.192  -9.322 -10.668
  635    HZ3  LYS  85          3HZ       LYS  85  -3.848 -10.308 -11.805
  636    HA   PRO  86           HA       PRO  86 -10.219  -6.047  -6.224
  637    HB2  PRO  86          1HB       PRO  86 -10.615  -8.283  -4.657
  638    HB3  PRO  86          2HB       PRO  86 -11.857  -7.518  -5.695
  639    HG2  PRO  86          1HG       PRO  86 -10.103  -9.901  -6.324
  640    HG3  PRO  86          2HG       PRO  86 -11.864  -9.712  -6.600
  641    HD2  PRO  86          1HD       PRO  86 -10.050  -9.337  -8.584
  642    HD3  PRO  86          2HD       PRO  86 -11.493  -8.272  -8.477
  643    H    ILE  87           H        ILE  87  -8.673  -5.188  -5.073
  644    HA   ILE  87           HA       ILE  87  -6.162  -6.661  -4.513
  645    HB   ILE  87           HB       ILE  87  -5.231  -4.479  -3.845
  646   HG12  ILE  87          1HG1      ILE  87  -7.558  -3.125  -5.236
  647   HG13  ILE  87          2HG1      ILE  87  -7.554  -3.355  -3.484
  648   HG21  ILE  87          1HG2      ILE  87  -4.924  -3.688  -6.182
  649   HG22  ILE  87          2HG2      ILE  87  -4.815  -5.445  -6.039
  650   HG23  ILE  87          3HG2      ILE  87  -6.284  -4.699  -6.698
  651   HD11  ILE  87          1HD1      ILE  87  -5.466  -1.800  -5.068
  652   HD12  ILE  87          2HD1      ILE  87  -6.752  -1.128  -4.053
  653   HD13  ILE  87          3HD1      ILE  87  -5.450  -2.071  -3.309
  654    H    ARG  88           H        ARG  88  -5.305  -6.878  -2.507
  655    HA   ARG  88           HA       ARG  88  -7.070  -6.281  -0.160
  656    HB2  ARG  88          1HB       ARG  88  -4.983  -8.477  -0.423
  657    HB3  ARG  88          2HB       ARG  88  -5.879  -8.086   1.038
  658    HG2  ARG  88          1HG       ARG  88  -6.970  -9.265  -1.538
  659    HG3  ARG  88          2HG       ARG  88  -6.874 -10.021   0.047
  660    HD2  ARG  88          1HD       ARG  88  -8.745  -7.815  -0.868
  661    HD3  ARG  88          2HD       ARG  88  -9.172  -9.435  -0.352
  662    HE   ARG  88           HE       ARG  88  -8.577  -7.086   1.328
  663   HH11  ARG  88          1HH1      ARG  88  -8.713 -10.587   1.543
  664   HH12  ARG  88          2HH1      ARG  88  -9.074 -10.531   3.247
  665   HH21  ARG  88          1HH2      ARG  88  -9.189  -7.074   3.371
  666   HH22  ARG  88          2HH2      ARG  88  -9.296  -8.570   4.280
  667    H    VAL  89           H        VAL  89  -6.303  -5.114   1.484
  668    HA   VAL  89           HA       VAL  89  -3.482  -4.150   1.337
  669    HB   VAL  89           HB       VAL  89  -5.887  -2.368   1.846
  670   HG11  VAL  89          1HG1      VAL  89  -2.945  -1.677   1.430
  671   HG12  VAL  89          2HG1      VAL  89  -4.280  -0.522   1.646
  672   HG13  VAL  89          3HG1      VAL  89  -3.818  -1.588   2.970
  673   HG21  VAL  89          1HG2      VAL  89  -5.223  -1.333  -0.354
  674   HG22  VAL  89          2HG2      VAL  89  -4.073  -2.661  -0.589
  675   HG23  VAL  89          3HG2      VAL  89  -5.817  -2.984  -0.537
  676    H    ASN  90           H        ASN  90  -2.413  -3.882   3.202
  677    HA   ASN  90           HA       ASN  90  -3.629  -3.749   5.843
  678    HB2  ASN  90          1HB       ASN  90  -3.779  -6.241   5.101
  679    HB3  ASN  90          2HB       ASN  90  -2.024  -6.243   5.161
  680   HD21  ASN  90          1HD2      ASN  90  -2.856  -8.097   6.698
  681   HD22  ASN  90          2HD2      ASN  90  -3.024  -7.612   8.378
  682    H    LYS  91           H        LYS  91  -1.712  -4.051   7.518
  683    HA   LYS  91           HA       LYS  91   0.425  -2.186   7.041
  684    HB2  LYS  91          1HB       LYS  91   0.316  -4.505   9.023
  685    HB3  LYS  91          2HB       LYS  91   1.346  -3.092   9.153
  686    HG2  LYS  91          1HG       LYS  91  -1.712  -3.022   9.253
  687    HG3  LYS  91          2HG       LYS  91  -0.696  -3.162  10.662
  688    HD2  LYS  91          1HD       LYS  91  -0.487  -0.832   8.710
  689    HD3  LYS  91          2HD       LYS  91  -1.574  -0.831  10.088
  690    HE2  LYS  91          1HE       LYS  91   1.464  -1.141  10.185
  691    HE3  LYS  91          2HE       LYS  91   0.592   0.360  10.494
  692    HZ1  LYS  91          1HZ       LYS  91   1.273  -0.930  12.513
  693    HZ2  LYS  91          2HZ       LYS  91   0.198  -2.084  12.131
  694    HZ3  LYS  91          3HZ       LYS  91  -0.337  -0.572  12.473
  695    H    ALA  92           H        ALA  92   2.552  -2.463   6.333
  696    HA   ALA  92           HA       ALA  92   3.173  -4.739   4.703
  697    HB1  ALA  92          1HB       ALA  92   4.966  -2.567   5.837
  698    HB2  ALA  92          2HB       ALA  92   5.374  -3.646   4.486
  699    HB3  ALA  92          3HB       ALA  92   4.051  -2.478   4.310
  700    H    SER  93           H        SER  93   3.805  -4.105   8.095
  701    HA   SER  93           HA       SER  93   5.106  -6.784   8.381
  702    HB2  SER  93          1HB       SER  93   5.708  -4.263   9.957
  703    HB3  SER  93          2HB       SER  93   6.351  -5.879  10.308
  704    HG   SER  93           HG       SER  93   7.337  -5.887   8.252
  705    H    ALA  94           H        ALA  94   2.473  -6.875   8.361
  706    HA   ALA  94           HA       ALA  94   1.089  -6.354  10.790
  707    HB1  ALA  94          1HB       ALA  94   0.520  -8.445   8.646
  708    HB2  ALA  94          2HB       ALA  94  -0.634  -7.820   9.842
  709    HB3  ALA  94          3HB       ALA  94   0.006  -6.747   8.586
  710    H    HIS  95           H        HIS  95   0.243  -7.811  12.362
  711    HA   HIS  95           HA       HIS  95   2.199  -9.723  13.406
  712    HB2  HIS  95          1HB       HIS  95  -0.464  -8.678  14.425
  713    HB3  HIS  95          2HB       HIS  95   0.448  -9.936  15.251
  714    HD2  HIS  95          2HD       HIS  95   0.769  -6.181  14.318
  715    HE1  HIS  95          1HE       HIS  95   3.622  -6.991  17.384
  716    HE2  HIS  95          2HE       HIS  95   2.562  -5.161  15.976
  717    H    ASN  96           H        ASN  96   1.857 -11.865  13.923
  718    HA   ASN  96           HA       ASN  96  -0.288 -13.335  12.458
  719    HB2  ASN  96          1HB       ASN  96   1.309 -15.056  11.936
  720    HB3  ASN  96          2HB       ASN  96   1.925 -13.515  11.362
  721   HD21  ASN  96          1HD2      ASN  96   3.729 -15.488  11.509
  722   HD22  ASN  96          2HD2      ASN  96   4.783 -15.258  12.898
  723    H    LYS  97           H        LYS  97  -0.162 -12.369  15.294
  724    HA   LYS  97           HA       LYS  97   0.379 -14.548  17.077
  725    HB2  LYS  97          1HB       LYS  97  -1.239 -11.991  17.448
  726    HB3  LYS  97          2HB       LYS  97  -0.812 -13.105  18.755
  727    HG2  LYS  97          1HG       LYS  97   1.583 -12.727  18.375
  728    HG3  LYS  97          2HG       LYS  97   1.242 -11.720  16.968
  729    HD2  LYS  97          1HD       LYS  97   1.797 -10.291  18.798
  730    HD3  LYS  97          2HD       LYS  97   0.090 -10.063  18.403
  731    HE2  LYS  97          1HE       LYS  97  -0.562 -11.487  20.319
  732    HE3  LYS  97          2HE       LYS  97   1.142 -11.817  20.675
  733    HZ1  LYS  97          1HZ       LYS  97  -0.132  -9.130  20.768
  734    HZ2  LYS  97          2HZ       LYS  97   1.440  -9.439  21.113
  735    HZ3  LYS  97          3HZ       LYS  97   0.253 -10.006  22.077
  736    H    ASN  98           H        ASN  98  -0.894 -15.929  18.180
  737    HA   ASN  98           HA       ASN  98  -3.686 -16.394  17.243
  738    HB2  ASN  98          1HB       ASN  98  -3.183 -18.721  16.891
  739    HB3  ASN  98          2HB       ASN  98  -2.057 -17.751  15.954
  740   HD21  ASN  98          1HD2      ASN  98  -1.368 -20.316  16.287
  741   HD22  ASN  98          2HD2      ASN  98  -0.076 -20.460  17.471
  742    H    LEU  99           H        LEU  99  -2.585 -15.290  19.834
  743    HA   LEU  99           HA       LEU  99  -2.827 -17.229  21.900
  744    HB2  LEU  99          1HB       LEU  99  -1.644 -15.059  22.079
  745    HB3  LEU  99          2HB       LEU  99  -3.182 -14.206  21.956
  746    HG   LEU  99           HG       LEU  99  -3.910 -15.215  24.113
  747   HD11  LEU  99          1HD1      LEU  99  -1.075 -16.335  24.215
  748   HD12  LEU  99          2HD1      LEU  99  -2.573 -17.290  24.150
  749   HD13  LEU  99          3HD1      LEU  99  -2.224 -16.305  25.570
  750   HD21  LEU  99          1HD2      LEU  99  -2.421 -13.896  25.545
  751   HD22  LEU  99          2HD2      LEU  99  -2.805 -13.015  24.058
  752   HD23  LEU  99          3HD2      LEU  99  -1.220 -13.800  24.237
  753    H    SER 100           H        SER 100  -4.493 -17.944  23.142
  754    HA   SER 100           HA       SER 100  -7.203 -17.636  22.123
  755    HB2  SER 100          1HB       SER 100  -7.666 -19.521  23.689
  756    HB3  SER 100          2HB       SER 100  -6.365 -19.833  22.531
  757    HG   SER 100           HG       SER 100  -5.816 -20.471  24.683
  758    H    GLY 101           H        GLY 101  -5.713 -15.615  24.134
  759    HA2  GLY 101          1HA       GLY 101  -6.638 -13.915  25.465
  760    HA3  GLY 101          2HA       GLY 101  -8.158 -14.797  25.560
  761    HA   PRO 102           HA       PRO 102  -5.731 -15.122  29.572
  762    HB2  PRO 102          1HB       PRO 102  -7.530 -13.998  31.297
  763    HB3  PRO 102          2HB       PRO 102  -6.411 -13.032  30.285
  764    HG2  PRO 102          1HG       PRO 102  -9.308 -13.738  29.701
  765    HG3  PRO 102          2HG       PRO 102  -8.531 -12.123  29.635
  766    HD2  PRO 102          1HD       PRO 102  -8.863 -13.644  27.405
  767    HD3  PRO 102          2HD       PRO 102  -7.392 -12.651  27.632
  768    H    SER 103           H        SER 103  -6.006 -16.563  31.315
  769    HA   SER 103           HA       SER 103  -7.909 -18.747  30.926
  770    HB2  SER 103          1HB       SER 103  -6.675 -19.744  32.850
  771    HB3  SER 103          2HB       SER 103  -5.643 -19.286  31.485
  772    HG   SER 103           HG       SER 103  -4.772 -18.615  33.515
  773    H    SER 104           H        SER 104  -7.772 -15.931  32.932
  774    HA   SER 104           HA       SER 104  -9.044 -15.012  34.532
  775    HB2  SER 104          1HB       SER 104 -11.209 -16.915  33.599
  776    HB3  SER 104          2HB       SER 104 -11.444 -15.497  34.632
  777    HG   SER 104           HG       SER 104 -11.835 -15.040  32.411
  778    H    GLY 105           H        GLY 105 -10.285 -15.249  36.576
  779    HA2  GLY 105          1HA       GLY 105 -10.273 -17.648  38.152
  780    HA3  GLY 105          2HA       GLY 105  -8.823 -16.703  38.497
  Start of MODEL   12
    1    H1   GLY   1          1H        GLY   1   6.569 -13.530  22.050
    2    H2   GLY   1          2H        GLY   1   7.373 -12.322  21.288
    3    H3   GLY   1          3H        GLY   1   7.471 -13.855  20.722
    4    HA2  GLY   1          1HA       GLY   1   5.138 -13.869  20.145
    5    HA3  GLY   1          2HA       GLY   1   5.019 -12.215  20.775
    6    H    SER   2           H        SER   2   4.345 -13.040  18.104
    7    HA   SER   2           HA       SER   2   6.484 -12.301  16.273
    8    HB2  SER   2          1HB       SER   2   4.703 -12.576  14.559
    9    HB3  SER   2          2HB       SER   2   4.901 -13.979  15.623
   10    HG   SER   2           HG       SER   2   2.686 -13.406  15.326
   11    H    SER   3           H        SER   3   4.139 -10.443  18.002
   12    HA   SER   3           HA       SER   3   5.038  -7.979  16.635
   13    HB2  SER   3          1HB       SER   3   2.766  -7.100  16.464
   14    HB3  SER   3          2HB       SER   3   2.951  -8.572  15.500
   15    HG   SER   3           HG       SER   3   1.005  -8.580  16.720
   16    H    GLY   4           H        GLY   4   4.565  -6.016  17.851
   17    HA2  GLY   4          1HA       GLY   4   3.541  -5.780  20.438
   18    HA3  GLY   4          2HA       GLY   4   5.227  -6.261  20.643
   19    H    SER   5           H        SER   5   4.877  -3.999  21.754
   20    HA   SER   5           HA       SER   5   5.020  -1.638  20.093
   21    HB2  SER   5          1HB       SER   5   5.808  -2.022  23.003
   22    HB3  SER   5          2HB       SER   5   5.579  -0.471  22.175
   23    HG   SER   5           HG       SER   5   3.705  -1.119  23.346
   24    H    SER   6           H        SER   6   6.745  -0.327  19.582
   25    HA   SER   6           HA       SER   6   9.537  -1.260  20.080
   26    HB2  SER   6          1HB       SER   6   8.363  -0.516  17.371
   27    HB3  SER   6          2HB       SER   6  10.087  -0.755  17.707
   28    HG   SER   6           HG       SER   6   9.074  -2.640  16.847
   29    H    GLY   7           H        GLY   7  11.140   0.350  19.919
   30    HA2  GLY   7          1HA       GLY   7  10.346   3.055  20.636
   31    HA3  GLY   7          2HA       GLY   7  11.987   2.460  20.404
   32    HA   PRO   8           HA       PRO   8  10.647   5.080  16.705
   33    HB2  PRO   8          1HB       PRO   8  11.665   7.533  17.245
   34    HB3  PRO   8          2HB       PRO   8  10.141   6.957  17.973
   35    HG2  PRO   8          1HG       PRO   8  12.915   6.887  19.216
   36    HG3  PRO   8          2HG       PRO   8  11.402   7.534  19.928
   37    HD2  PRO   8          1HD       PRO   8  12.305   4.994  20.437
   38    HD3  PRO   8          2HD       PRO   8  10.562   5.382  20.338
   39    H    ILE   9           H        ILE   9  12.249   3.257  16.164
   40    HA   ILE   9           HA       ILE   9  15.051   3.880  15.934
   41    HB   ILE   9           HB       ILE   9  15.379   1.891  14.823
   42   HG12  ILE   9          1HG1      ILE   9  13.650   1.830  13.141
   43   HG13  ILE   9          2HG1      ILE   9  13.762   0.353  14.066
   44   HG21  ILE   9          1HG2      ILE   9  14.990   1.779  17.230
   45   HG22  ILE   9          2HG2      ILE   9  13.273   1.422  16.965
   46   HG23  ILE   9          3HG2      ILE   9  14.511   0.282  16.414
   47   HD11  ILE   9          1HD1      ILE   9  11.434   0.857  13.581
   48   HD12  ILE   9          2HD1      ILE   9  11.693   0.970  15.325
   49   HD13  ILE   9          3HD1      ILE   9  11.565   2.448  14.335
   50    H    SER  10           H        SER  10  12.423   4.659  13.890
   51    HA   SER  10           HA       SER  10  12.090   5.651  11.924
   52    HB2  SER  10          1HB       SER  10  14.876   6.761  12.325
   53    HB3  SER  10          2HB       SER  10  13.676   7.359  11.168
   54    HG   SER  10           HG       SER  10  13.647   8.529  13.156
   55    H    GLU  11           H        GLU  11  15.217   3.946  11.751
   56    HA   GLU  11           HA       GLU  11  15.263   3.923   8.857
   57    HB2  GLU  11          1HB       GLU  11  17.000   2.477  10.889
   58    HB3  GLU  11          2HB       GLU  11  17.327   2.606   9.154
   59    HG2  GLU  11          1HG       GLU  11  17.375   5.097   9.367
   60    HG3  GLU  11          2HG       GLU  11  17.206   4.930  11.116
   61    H    ARG  12           H        ARG  12  12.893   2.692   9.821
   62    HA   ARG  12           HA       ARG  12  13.004   0.109   8.360
   63    HB2  ARG  12          1HB       ARG  12  11.853   0.355  11.180
   64    HB3  ARG  12          2HB       ARG  12  11.583  -1.015  10.112
   65    HG2  ARG  12          1HG       ARG  12  14.296  -0.157  11.208
   66    HG3  ARG  12          2HG       ARG  12  13.285  -1.454  11.836
   67    HD2  ARG  12          1HD       ARG  12  13.437  -2.663   9.689
   68    HD3  ARG  12          2HD       ARG  12  14.464  -1.401   9.020
   69    HE   ARG  12           HE       ARG  12  15.196  -3.465  10.983
   70   HH11  ARG  12          1HH1      ARG  12  16.279  -0.446   9.518
   71   HH12  ARG  12          2HH1      ARG  12  17.946  -0.773   9.923
   72   HH21  ARG  12          1HH2      ARG  12  17.329  -3.773  11.473
   73   HH22  ARG  12          2HH2      ARG  12  18.514  -2.588  11.011
   74    H    ASN  13           H        ASN  13  10.790   2.198  10.193
   75    HA   ASN  13           HA       ASN  13   8.677   2.844   9.892
   76    HB2  ASN  13          1HB       ASN  13   8.336   4.323   8.044
   77    HB3  ASN  13          2HB       ASN  13   9.972   4.469   8.656
   78   HD21  ASN  13          1HD2      ASN  13   8.071   2.921   5.989
   79   HD22  ASN  13          2HD2      ASN  13   9.341   3.218   4.810
   80    H    GLN  14           H        GLN  14   8.878  -0.049   9.314
   81    HA   GLN  14           HA       GLN  14   7.198  -0.705   7.102
   82    HB2  GLN  14          1HB       GLN  14   7.895  -2.294   9.605
   83    HB3  GLN  14          2HB       GLN  14   7.080  -2.948   8.177
   84    HG2  GLN  14          1HG       GLN  14   9.038  -2.335   6.770
   85    HG3  GLN  14          2HG       GLN  14   9.890  -1.779   8.212
   86   HE21  GLN  14          1HE2      GLN  14  11.278  -3.614   6.906
   87   HE22  GLN  14          2HE2      GLN  14  11.133  -5.191   7.671
   88    H    ASP  15           H        ASP  15   6.256   0.502  10.211
   89    HA   ASP  15           HA       ASP  15   3.468  -0.446   9.897
   90    HB2  ASP  15          1HB       ASP  15   4.898   1.203  12.002
   91    HB3  ASP  15          2HB       ASP  15   3.151   0.983  11.980
   92    H    ALA  16           H        ALA  16   5.342   2.415   9.074
   93    HA   ALA  16           HA       ALA  16   2.891   3.950   8.411
   94    HB1  ALA  16          1HB       ALA  16   5.824   4.681   8.120
   95    HB2  ALA  16          2HB       ALA  16   4.423   5.749   7.876
   96    HB3  ALA  16          3HB       ALA  16   4.764   5.108   9.491
   97    H    THR  17           H        THR  17   5.043   1.690   6.927
   98    HA   THR  17           HA       THR  17   4.043   2.314   4.214
   99    HB   THR  17           HB       THR  17   5.842   0.037   5.079
  100    HG1  THR  17          1HG       THR  17   7.462   1.377   4.191
  101   HG21  THR  17          1HG2      THR  17   4.802  -0.316   2.839
  102   HG22  THR  17          2HG2      THR  17   6.533   0.007   2.688
  103   HG23  THR  17          3HG2      THR  17   5.370   1.288   2.325
  104    H    VAL  18           H        VAL  18   2.465   1.217   3.186
  105    HA   VAL  18           HA       VAL  18   1.162  -1.077   4.596
  106    HB   VAL  18           HB       VAL  18  -0.826  -0.719   3.332
  107   HG11  VAL  18          1HG1      VAL  18  -0.507   0.579   5.432
  108   HG12  VAL  18          2HG1      VAL  18   0.075   1.955   4.463
  109   HG13  VAL  18          3HG1      VAL  18  -1.588   1.382   4.275
  110   HG21  VAL  18          1HG2      VAL  18   0.487   1.697   2.051
  111   HG22  VAL  18          2HG2      VAL  18   0.062   0.190   1.206
  112   HG23  VAL  18          3HG2      VAL  18  -1.208   1.214   1.882
  113    H    TYR  19           H        TYR  19   0.694  -2.922   3.462
  114    HA   TYR  19           HA       TYR  19   2.232  -3.506   0.965
  115    HB2  TYR  19          1HB       TYR  19   2.702  -5.112   2.661
  116    HB3  TYR  19          2HB       TYR  19   1.032  -5.164   3.196
  117    HD1  TYR  19          1HD       TYR  19   3.434  -6.480   0.729
  118    HD2  TYR  19          2HD       TYR  19  -0.701  -6.401   1.957
  119    HE1  TYR  19          1HE       TYR  19   2.979  -8.498  -0.652
  120    HE2  TYR  19          2HE       TYR  19  -1.160  -8.391   0.536
  121    HH   TYR  19           HH       TYR  19   1.412 -10.003  -1.370
  122    H    VAL  20           H        VAL  20   1.130  -4.092  -0.864
  123    HA   VAL  20           HA       VAL  20  -1.857  -4.163  -0.854
  124    HB   VAL  20           HB       VAL  20  -0.183  -2.762  -2.978
  125   HG11  VAL  20          1HG1      VAL  20  -2.318  -3.739  -3.780
  126   HG12  VAL  20          2HG1      VAL  20  -3.190  -2.919  -2.476
  127   HG13  VAL  20          3HG1      VAL  20  -2.404  -1.969  -3.752
  128   HG21  VAL  20          1HG2      VAL  20  -0.105  -1.389  -0.946
  129   HG22  VAL  20          2HG2      VAL  20  -1.137  -0.653  -2.166
  130   HG23  VAL  20          3HG2      VAL  20  -1.871  -1.499  -0.782
  131    H    GLY  21           H        GLY  21  -2.318  -6.224  -1.400
  132    HA2  GLY  21          1HA       GLY  21  -0.616  -7.666  -3.410
  133    HA3  GLY  21          2HA       GLY  21  -1.608  -8.426  -2.181
  134    H    GLY  22           H        GLY  22  -1.481  -8.512  -5.233
  135    HA2  GLY  22          1HA       GLY  22  -3.226  -9.562  -6.492
  136    HA3  GLY  22          2HA       GLY  22  -4.446  -8.621  -5.633
  137    H    LEU  23           H        LEU  23  -1.460  -7.405  -7.186
  138    HA   LEU  23           HA       LEU  23  -2.950  -5.210  -8.418
  139    HB2  LEU  23          1HB       LEU  23   0.003  -5.959  -8.449
  140    HB3  LEU  23          2HB       LEU  23  -0.671  -4.467  -9.098
  141    HG   LEU  23           HG       LEU  23  -0.646  -5.312  -6.165
  142   HD11  LEU  23          1HD1      LEU  23   1.530  -4.602  -7.110
  143   HD12  LEU  23          2HD1      LEU  23   0.907  -3.453  -5.907
  144   HD13  LEU  23          3HD1      LEU  23   0.801  -3.074  -7.638
  145   HD21  LEU  23          1HD2      LEU  23  -1.406  -2.896  -5.824
  146   HD22  LEU  23          2HD2      LEU  23  -2.627  -4.018  -6.439
  147   HD23  LEU  23          3HD2      LEU  23  -1.840  -2.876  -7.542
  148    H    ASP  24           H        ASP  24  -3.149  -4.771 -10.570
  149    HA   ASP  24           HA       ASP  24  -3.000  -7.057 -12.395
  150    HB2  ASP  24          1HB       ASP  24  -5.014  -5.633 -12.338
  151    HB3  ASP  24          2HB       ASP  24  -4.044  -4.218 -12.754
  152    H    GLU  25           H        GLU  25  -1.992  -6.877 -14.564
  153    HA   GLU  25           HA       GLU  25   0.717  -6.056 -14.497
  154    HB2  GLU  25          1HB       GLU  25   0.775  -6.653 -16.839
  155    HB3  GLU  25          2HB       GLU  25  -0.139  -7.843 -15.917
  156    HG2  GLU  25          1HG       GLU  25  -2.271  -6.818 -16.715
  157    HG3  GLU  25          2HG       GLU  25  -1.347  -5.635 -17.644
  158    H    LYS  26           H        LYS  26  -2.085  -4.092 -15.309
  159    HA   LYS  26           HA       LYS  26  -0.505  -1.972 -16.594
  160    HB2  LYS  26          1HB       LYS  26  -3.386  -2.093 -15.636
  161    HB3  LYS  26          2HB       LYS  26  -2.674  -0.733 -16.513
  162    HG2  LYS  26          1HG       LYS  26  -2.116  -2.227 -18.413
  163    HG3  LYS  26          2HG       LYS  26  -2.884  -3.584 -17.592
  164    HD2  LYS  26          1HD       LYS  26  -4.250  -1.012 -18.481
  165    HD3  LYS  26          2HD       LYS  26  -4.342  -2.566 -19.307
  166    HE2  LYS  26          1HE       LYS  26  -5.420  -1.944 -16.522
  167    HE3  LYS  26          2HE       LYS  26  -6.373  -2.085 -18.003
  168    HZ1  LYS  26          1HZ       LYS  26  -6.496  -4.156 -16.845
  169    HZ2  LYS  26          2HZ       LYS  26  -4.884  -4.256 -16.631
  170    HZ3  LYS  26          3HZ       LYS  26  -5.535  -4.435 -18.137
  171    H    VAL  27           H        VAL  27  -0.786  -2.844 -13.346
  172    HA   VAL  27           HA       VAL  27  -0.689  -0.134 -12.219
  173    HB   VAL  27           HB       VAL  27  -0.151  -2.818 -10.894
  174   HG11  VAL  27          1HG1      VAL  27  -0.584  -0.054  -9.686
  175   HG12  VAL  27          2HG1      VAL  27  -0.582  -1.576  -8.792
  176   HG13  VAL  27          3HG1      VAL  27   0.883  -1.036  -9.584
  177   HG21  VAL  27          1HG2      VAL  27  -2.484  -2.660 -11.677
  178   HG22  VAL  27          2HG2      VAL  27  -2.426  -2.519  -9.921
  179   HG23  VAL  27          3HG2      VAL  27  -2.653  -1.067 -10.912
  180    H    SER  28           H        SER  28   1.072   0.998 -11.530
  181    HA   SER  28           HA       SER  28   3.735  -0.276 -11.323
  182    HB2  SER  28          1HB       SER  28   3.161   2.133 -13.096
  183    HB3  SER  28          2HB       SER  28   4.779   1.718 -12.502
  184    HG   SER  28           HG       SER  28   3.209  -0.210 -13.844
  185    H    GLU  29           H        GLU  29   5.291   1.191 -10.093
  186    HA   GLU  29           HA       GLU  29   4.105   2.050  -7.734
  187    HB2  GLU  29          1HB       GLU  29   6.804   2.766  -8.958
  188    HB3  GLU  29          2HB       GLU  29   6.300   3.365  -7.403
  189    HG2  GLU  29          1HG       GLU  29   7.038   1.531  -6.442
  190    HG3  GLU  29          2HG       GLU  29   5.762   0.620  -7.213
  191    HA   PRO  30           HA       PRO  30   4.135   6.689  -9.085
  192    HB2  PRO  30          1HB       PRO  30   3.571   6.368 -12.032
  193    HB3  PRO  30          2HB       PRO  30   4.460   7.673 -11.186
  194    HG2  PRO  30          1HG       PRO  30   5.831   5.757 -12.505
  195    HG3  PRO  30          2HG       PRO  30   6.372   6.252 -10.864
  196    HD2  PRO  30          1HD       PRO  30   4.644   3.879 -11.633
  197    HD3  PRO  30          2HD       PRO  30   6.101   3.914 -10.599
  198    H    LEU  31           H        LEU  31   2.083   4.171 -10.528
  199    HA   LEU  31           HA       LEU  31  -0.379   5.731 -10.494
  200    HB2  LEU  31          1HB       LEU  31  -0.090   3.621 -11.869
  201    HB3  LEU  31          2HB       LEU  31  -0.010   2.705 -10.366
  202    HG   LEU  31           HG       LEU  31  -2.349   3.652  -9.772
  203   HD11  LEU  31          1HD1      LEU  31  -3.675   4.337 -11.745
  204   HD12  LEU  31          2HD1      LEU  31  -2.196   4.306 -12.741
  205   HD13  LEU  31          3HD1      LEU  31  -2.370   5.486 -11.413
  206   HD21  LEU  31          1HD2      LEU  31  -3.449   2.012 -11.315
  207   HD22  LEU  31          2HD2      LEU  31  -2.051   1.364 -10.449
  208   HD23  LEU  31          3HD2      LEU  31  -1.899   1.831 -12.164
  209    H    LEU  32           H        LEU  32   1.051   3.198  -8.372
  210    HA   LEU  32           HA       LEU  32  -0.966   3.270  -6.399
  211    HB2  LEU  32          1HB       LEU  32   2.020   2.737  -5.977
  212    HB3  LEU  32          2HB       LEU  32   0.731   2.364  -4.838
  213    HG   LEU  32           HG       LEU  32   1.237   1.062  -7.521
  214   HD11  LEU  32          1HD1      LEU  32   1.122  -0.027  -4.674
  215   HD12  LEU  32          2HD1      LEU  32   2.613   0.306  -5.595
  216   HD13  LEU  32          3HD1      LEU  32   1.492  -0.953  -6.147
  217   HD21  LEU  32          1HD2      LEU  32  -1.108   0.763  -5.591
  218   HD22  LEU  32          2HD2      LEU  32  -0.710  -0.441  -6.826
  219   HD23  LEU  32          3HD2      LEU  32  -1.174   1.198  -7.320
  220    H    TRP  33           H        TRP  33   1.996   5.233  -6.612
  221    HA   TRP  33           HA       TRP  33   1.776   6.591  -4.155
  222    HB2  TRP  33          1HB       TRP  33   3.662   6.570  -5.862
  223    HB3  TRP  33          2HB       TRP  33   2.792   7.780  -6.773
  224    HD1  TRP  33           HD       TRP  33   2.000   9.673  -4.217
  225    HE1  TRP  33          1HE       TRP  33   3.852  10.984  -3.005
  226    HE3  TRP  33          3HE       TRP  33   6.028   7.052  -5.884
  227    HZ2  TRP  33          2HZ       TRP  33   6.734  10.893  -2.785
  228    HZ3  TRP  33          3HZ       TRP  33   8.346   7.665  -5.153
  229    HH2  TRP  33           HH       TRP  33   8.696   9.579  -3.602
  230    H    GLU  34           H        GLU  34   0.729   7.892  -7.332
  231    HA   GLU  34           HA       GLU  34  -0.707  10.100  -6.219
  232    HB2  GLU  34          1HB       GLU  34  -0.904   8.731  -8.939
  233    HB3  GLU  34          2HB       GLU  34  -1.708  10.256  -8.521
  234    HG2  GLU  34          1HG       GLU  34   0.566  11.161  -7.860
  235    HG3  GLU  34          2HG       GLU  34   1.291   9.740  -8.603
  236    H    LEU  35           H        LEU  35  -1.812   6.822  -6.915
  237    HA   LEU  35           HA       LEU  35  -4.629   7.381  -6.591
  238    HB2  LEU  35          1HB       LEU  35  -3.444   5.356  -7.737
  239    HB3  LEU  35          2HB       LEU  35  -3.273   4.721  -6.094
  240    HG   LEU  35           HG       LEU  35  -5.843   5.059  -5.963
  241   HD11  LEU  35          1HD1      LEU  35  -6.120   6.387  -8.012
  242   HD12  LEU  35          2HD1      LEU  35  -7.034   4.874  -8.094
  243   HD13  LEU  35          3HD1      LEU  35  -5.499   5.028  -8.978
  244   HD21  LEU  35          1HD2      LEU  35  -4.751   2.876  -5.988
  245   HD22  LEU  35          2HD2      LEU  35  -4.651   2.931  -7.766
  246   HD23  LEU  35          3HD2      LEU  35  -6.233   2.850  -6.948
  247    H    PHE  36           H        PHE  36  -2.049   6.456  -4.291
  248    HA   PHE  36           HA       PHE  36  -3.963   6.072  -2.086
  249    HB2  PHE  36          1HB       PHE  36  -1.022   5.589  -2.497
  250    HB3  PHE  36          2HB       PHE  36  -1.651   5.699  -0.898
  251    HD1  PHE  36          1HD       PHE  36  -2.178   3.693   0.169
  252    HD2  PHE  36          2HD       PHE  36  -2.615   3.920  -4.106
  253    HE1  PHE  36          1HE       PHE  36  -2.908   1.324   0.112
  254    HE2  PHE  36          2HE       PHE  36  -3.293   1.541  -4.167
  255    HZ   PHE  36           HZ       PHE  36  -3.483   0.247  -2.053
  256    H    LEU  37           H        LEU  37  -2.197   8.761  -3.315
  257    HA   LEU  37           HA       LEU  37  -1.906  10.408  -1.062
  258    HB2  LEU  37          1HB       LEU  37  -2.783  10.948  -3.915
  259    HB3  LEU  37          2HB       LEU  37  -2.627  12.257  -2.749
  260    HG   LEU  37           HG       LEU  37  -0.363  10.479  -3.686
  261   HD11  LEU  37          1HD1      LEU  37   0.470  12.504  -4.742
  262   HD12  LEU  37          2HD1      LEU  37  -0.900  13.441  -4.100
  263   HD13  LEU  37          3HD1      LEU  37  -1.176  12.180  -5.317
  264   HD21  LEU  37          1HD2      LEU  37   1.085  12.060  -2.429
  265   HD22  LEU  37          2HD2      LEU  37   0.039  11.097  -1.379
  266   HD23  LEU  37          3HD2      LEU  37  -0.378  12.789  -1.715
  267    H    GLN  38           H        GLN  38  -4.869   9.248  -2.372
  268    HA   GLN  38           HA       GLN  38  -6.734  11.146  -1.299
  269    HB2  GLN  38          1HB       GLN  38  -7.133   8.155  -1.758
  270    HB3  GLN  38          2HB       GLN  38  -8.398   9.386  -1.620
  271    HG2  GLN  38          1HG       GLN  38  -7.476  10.502  -3.680
  272    HG3  GLN  38          2HG       GLN  38  -6.288   9.187  -3.785
  273   HE21  GLN  38          1HE2      GLN  38  -6.956   7.123  -4.511
  274   HE22  GLN  38          2HE2      GLN  38  -8.569   6.858  -5.196
  275    H    ALA  39           H        ALA  39  -5.066   8.381   0.162
  276    HA   ALA  39           HA       ALA  39  -6.678   8.429   2.614
  277    HB1  ALA  39          1HB       ALA  39  -4.081   7.016   1.884
  278    HB2  ALA  39          2HB       ALA  39  -5.006   6.749   3.371
  279    HB3  ALA  39          3HB       ALA  39  -5.709   6.328   1.795
  280    H    GLY  40           H        GLY  40  -3.359   9.404   1.703
  281    HA2  GLY  40          1HA       GLY  40  -3.310  11.740   3.347
  282    HA3  GLY  40          2HA       GLY  40  -2.493  10.415   4.183
  283    HA   PRO  41           HA       PRO  41   0.466  12.627   1.273
  284    HB2  PRO  41          1HB       PRO  41   2.446  13.199   3.097
  285    HB3  PRO  41          2HB       PRO  41   1.025  14.246   2.794
  286    HG2  PRO  41          1HG       PRO  41   1.361  12.163   4.971
  287    HG3  PRO  41          2HG       PRO  41   0.817  13.859   5.148
  288    HD2  PRO  41          1HD       PRO  41  -0.923  11.779   5.004
  289    HD3  PRO  41          2HD       PRO  41  -1.316  13.315   4.179
  290    H    VAL  42           H        VAL  42   1.271  11.084   0.053
  291    HA   VAL  42           HA       VAL  42   2.681   8.723   1.128
  292    HB   VAL  42           HB       VAL  42   1.982   9.471  -1.726
  293   HG11  VAL  42          1HG1      VAL  42   3.191   6.922  -0.555
  294   HG12  VAL  42          2HG1      VAL  42   2.570   7.084  -2.207
  295   HG13  VAL  42          3HG1      VAL  42   3.971   8.020  -1.711
  296   HG21  VAL  42          1HG2      VAL  42   0.765   7.386   0.127
  297   HG22  VAL  42          2HG2      VAL  42  -0.017   8.897  -0.383
  298   HG23  VAL  42          3HG2      VAL  42   0.340   7.651  -1.578
  299    H    VAL  43           H        VAL  43   4.747   8.447   1.123
  300    HA   VAL  43           HA       VAL  43   6.556  10.704   0.386
  301    HB   VAL  43           HB       VAL  43   7.032   8.465   2.388
  302   HG11  VAL  43          1HG1      VAL  43   8.543  10.120   3.452
  303   HG12  VAL  43          2HG1      VAL  43   9.049   9.741   1.799
  304   HG13  VAL  43          3HG1      VAL  43   8.201  11.272   2.146
  305   HG21  VAL  43          1HG2      VAL  43   5.743  11.176   2.902
  306   HG22  VAL  43          2HG2      VAL  43   5.001   9.573   3.116
  307   HG23  VAL  43          3HG2      VAL  43   6.340  10.057   4.153
  308    H    ASN  44           H        ASN  44   6.128   7.231   0.000
  309    HA   ASN  44           HA       ASN  44   8.149   6.989  -2.093
  310    HB2  ASN  44          1HB       ASN  44   9.640   6.932  -0.210
  311    HB3  ASN  44          2HB       ASN  44   8.574   5.923   0.726
  312   HD21  ASN  44          1HD2      ASN  44   9.654   4.036   1.100
  313   HD22  ASN  44          2HD2      ASN  44  10.447   3.118  -0.182
  314    H    THR  45           H        THR  45   8.177   4.740  -2.979
  315    HA   THR  45           HA       THR  45   5.911   2.954  -2.332
  316    HB   THR  45           HB       THR  45   5.584   2.726  -4.927
  317    HG1  THR  45          1HG       THR  45   6.493   5.385  -4.653
  318   HG21  THR  45          1HG2      THR  45   3.747   4.223  -4.977
  319   HG22  THR  45          2HG2      THR  45   4.349   5.129  -3.558
  320   HG23  THR  45          3HG2      THR  45   3.806   3.439  -3.401
  321    H    HIS  46           H        HIS  46   6.185   0.793  -3.125
  322    HA   HIS  46           HA       HIS  46   8.703   0.154  -4.559
  323    HB2  HIS  46          1HB       HIS  46   9.141   0.025  -2.039
  324    HB3  HIS  46          2HB       HIS  46   7.898  -1.190  -1.951
  325    HD2  HIS  46          2HD       HIS  46   9.587  -3.067  -1.121
  326    HE1  HIS  46          1HE       HIS  46  11.808  -3.452  -4.744
  327    HE2  HIS  46          2HE       HIS  46  11.379  -4.472  -2.448
  328    H    MET  47           H        MET  47   8.341  -1.412  -6.083
  329    HA   MET  47           HA       MET  47   6.268  -3.493  -5.544
  330    HB2  MET  47          1HB       MET  47   6.478  -1.895  -8.104
  331    HB3  MET  47          2HB       MET  47   5.748  -3.494  -8.017
  332    HG2  MET  47          1HG       MET  47   4.058  -2.787  -6.521
  333    HG3  MET  47          2HG       MET  47   4.834  -1.231  -6.222
  334    HE1  MET  47          1HE       MET  47   4.305  -2.894  -9.834
  335    HE2  MET  47          2HE       MET  47   3.033  -3.502  -8.745
  336    HE3  MET  47          3HE       MET  47   2.621  -2.414 -10.092
  337    HA   PRO  48           HA       PRO  48  10.228  -5.594  -6.333
  338    HB2  PRO  48          1HB       PRO  48   8.337  -7.871  -5.669
  339    HB3  PRO  48          2HB       PRO  48  10.065  -7.679  -5.221
  340    HG2  PRO  48          1HG       PRO  48   8.172  -7.055  -3.413
  341    HG3  PRO  48          2HG       PRO  48   9.528  -5.917  -3.668
  342    HD2  PRO  48          1HD       PRO  48   6.718  -5.776  -4.799
  343    HD3  PRO  48          2HD       PRO  48   7.695  -4.466  -4.057
  344    H    LYS  49           H        LYS  49  11.031  -6.598  -8.140
  345    HA   LYS  49           HA       LYS  49   9.127  -7.050 -10.399
  346    HB2  LYS  49          1HB       LYS  49  12.008  -6.104 -10.521
  347    HB3  LYS  49          2HB       LYS  49  10.911  -6.291 -11.881
  348    HG2  LYS  49          1HG       LYS  49  10.717  -4.234  -9.654
  349    HG3  LYS  49          2HG       LYS  49  11.139  -3.964 -11.345
  350    HD2  LYS  49          1HD       LYS  49   8.803  -4.823 -11.951
  351    HD3  LYS  49          2HD       LYS  49   8.416  -4.740 -10.231
  352    HE2  LYS  49          1HE       LYS  49   9.198  -2.430 -12.066
  353    HE3  LYS  49          2HE       LYS  49   7.610  -2.756 -11.371
  354    HZ1  LYS  49          1HZ       LYS  49   8.512  -1.129  -9.968
  355    HZ2  LYS  49          2HZ       LYS  49  10.014  -1.791  -9.957
  356    HZ3  LYS  49          3HZ       LYS  49   8.800  -2.504  -9.134
  357    H    ASP  50           H        ASP  50   9.640  -8.469 -12.035
  358    HA   ASP  50           HA       ASP  50  10.723 -11.053 -11.268
  359    HB2  ASP  50          1HB       ASP  50   8.707 -10.825 -12.662
  360    HB3  ASP  50          2HB       ASP  50   9.619  -9.938 -13.880
  361    H    ARG  51           H        ARG  51  12.426 -12.182 -12.324
  362    HA   ARG  51           HA       ARG  51  14.721 -10.429 -12.878
  363    HB2  ARG  51          1HB       ARG  51  16.092 -12.331 -12.299
  364    HB3  ARG  51          2HB       ARG  51  14.837 -12.101 -11.086
  365    HG2  ARG  51          1HG       ARG  51  13.508 -13.954 -12.111
  366    HG3  ARG  51          2HG       ARG  51  14.784 -14.185 -13.323
  367    HD2  ARG  51          1HD       ARG  51  16.402 -14.700 -11.528
  368    HD3  ARG  51          2HD       ARG  51  15.131 -14.456 -10.311
  369    HE   ARG  51           HE       ARG  51  14.217 -16.387 -12.194
  370   HH11  ARG  51          1HH1      ARG  51  16.617 -16.195  -9.650
  371   HH12  ARG  51          2HH1      ARG  51  16.559 -17.909  -9.339
  372   HH21  ARG  51          1HH2      ARG  51  14.192 -18.565 -11.749
  373   HH22  ARG  51          2HH2      ARG  51  15.219 -19.209 -10.502
  374    H    VAL  52           H        VAL  52  12.621 -11.702 -15.038
  375    HA   VAL  52           HA       VAL  52  14.734 -11.833 -17.158
  376    HB   VAL  52           HB       VAL  52  13.330 -13.627 -18.275
  377   HG11  VAL  52          1HG1      VAL  52  14.503 -15.457 -17.152
  378   HG12  VAL  52          2HG1      VAL  52  15.570 -14.050 -17.301
  379   HG13  VAL  52          3HG1      VAL  52  14.816 -14.428 -15.738
  380   HG21  VAL  52          1HG2      VAL  52  11.356 -13.537 -16.836
  381   HG22  VAL  52          2HG2      VAL  52  12.046 -15.162 -16.941
  382   HG23  VAL  52          3HG2      VAL  52  12.299 -14.184 -15.479
  383    H    THR  53           H        THR  53  11.365 -11.182 -16.312
  384    HA   THR  53           HA       THR  53  10.956  -9.967 -18.989
  385    HB   THR  53           HB       THR  53   8.570  -9.982 -18.503
  386    HG1  THR  53          1HG       THR  53   9.336 -11.354 -16.141
  387   HG21  THR  53          1HG2      THR  53   9.519 -11.930 -19.649
  388   HG22  THR  53          2HG2      THR  53   8.167 -12.394 -18.596
  389   HG23  THR  53          3HG2      THR  53   9.839 -12.715 -18.097
  390    H    GLY  54           H        GLY  54  11.435  -9.233 -15.654
  391    HA2  GLY  54          1HA       GLY  54  11.601  -7.301 -14.506
  392    HA3  GLY  54          2HA       GLY  54  11.500  -6.429 -16.040
  393    H    GLN  55           H        GLN  55   8.753  -8.391 -15.557
  394    HA   GLN  55           HA       GLN  55   6.869  -6.242 -15.053
  395    HB2  GLN  55          1HB       GLN  55   6.616  -9.277 -14.884
  396    HB3  GLN  55          2HB       GLN  55   5.263  -8.145 -14.834
  397    HG2  GLN  55          1HG       GLN  55   5.733  -7.396 -17.123
  398    HG3  GLN  55          2HG       GLN  55   7.165  -8.423 -17.207
  399   HE21  GLN  55          1HE2      GLN  55   6.820 -10.827 -16.955
  400   HE22  GLN  55          2HE2      GLN  55   5.298 -11.484 -17.569
  401    H    HIS  56           H        HIS  56   5.406  -6.214 -13.077
  402    HA   HIS  56           HA       HIS  56   6.972  -6.600 -10.619
  403    HB2  HIS  56          1HB       HIS  56   5.225  -5.549  -9.438
  404    HB3  HIS  56          2HB       HIS  56   5.542  -4.624 -10.901
  405    HD2  HIS  56          2HD       HIS  56   3.453  -4.097 -12.401
  406    HE1  HIS  56          1HE       HIS  56   0.640  -6.733 -10.590
  407    HE2  HIS  56          2HE       HIS  56   0.924  -4.848 -12.256
  408    H    GLN  57           H        GLN  57   6.292  -7.820  -8.785
  409    HA   GLN  57           HA       GLN  57   5.607 -10.535  -9.567
  410    HB2  GLN  57          1HB       GLN  57   6.437  -9.334  -6.905
  411    HB3  GLN  57          2HB       GLN  57   6.198 -11.061  -7.203
  412    HG2  GLN  57          1HG       GLN  57   7.961 -11.012  -8.960
  413    HG3  GLN  57          2HG       GLN  57   8.257  -9.315  -8.607
  414   HE21  GLN  57          1HE2      GLN  57  10.545  -9.974  -8.078
  415   HE22  GLN  57          2HE2      GLN  57  10.826 -10.715  -6.509
  416    H    GLY  58           H        GLY  58   3.352  -8.361  -9.343
  417    HA2  GLY  58          1HA       GLY  58   1.059  -8.688  -9.144
  418    HA3  GLY  58          2HA       GLY  58   1.318 -10.181  -8.245
  419    H    TYR  59           H        TYR  59   3.207  -7.868  -6.743
  420    HA   TYR  59           HA       TYR  59   1.076  -6.642  -5.119
  421    HB2  TYR  59          1HB       TYR  59   1.955  -7.369  -3.028
  422    HB3  TYR  59          2HB       TYR  59   1.605  -8.781  -3.999
  423    HD1  TYR  59          1HD       TYR  59   4.178  -6.883  -2.236
  424    HD2  TYR  59          2HD       TYR  59   3.501 -10.090  -5.047
  425    HE1  TYR  59          1HE       TYR  59   6.447  -7.781  -1.767
  426    HE2  TYR  59          2HE       TYR  59   5.805 -10.938  -4.628
  427    HH   TYR  59           HH       TYR  59   7.992  -9.405  -2.231
  428    H    GLY  60           H        GLY  60   1.843  -4.979  -3.698
  429    HA2  GLY  60          1HA       GLY  60   4.469  -3.724  -4.265
  430    HA3  GLY  60          2HA       GLY  60   2.999  -2.839  -4.685
  431    H    PHE  61           H        PHE  61   4.364  -1.458  -3.140
  432    HA   PHE  61           HA       PHE  61   3.029  -1.503  -0.513
  433    HB2  PHE  61          1HB       PHE  61   6.004  -1.023  -0.907
  434    HB3  PHE  61          2HB       PHE  61   5.144  -0.941   0.604
  435    HD1  PHE  61          1HD       PHE  61   4.554  -2.937   1.861
  436    HD2  PHE  61          2HD       PHE  61   6.563  -3.213  -1.939
  437    HE1  PHE  61          1HE       PHE  61   5.212  -5.282   2.378
  438    HE2  PHE  61          2HE       PHE  61   7.213  -5.551  -1.430
  439    HZ   PHE  61           HZ       PHE  61   6.534  -6.593   0.730
  440    H    VAL  62           H        VAL  62   2.837   0.526   0.473
  441    HA   VAL  62           HA       VAL  62   3.750   2.942  -1.033
  442    HB   VAL  62           HB       VAL  62   0.942   2.687   0.111
  443   HG11  VAL  62          1HG1      VAL  62   0.585   4.782  -1.118
  444   HG12  VAL  62          2HG1      VAL  62   1.852   4.969   0.081
  445   HG13  VAL  62          3HG1      VAL  62   2.279   4.780  -1.642
  446   HG21  VAL  62          1HG2      VAL  62   0.994   1.237  -1.833
  447   HG22  VAL  62          2HG2      VAL  62   0.172   2.734  -2.265
  448   HG23  VAL  62          3HG2      VAL  62   1.850   2.469  -2.781
  449    H    GLU  63           H        GLU  63   4.742   4.376   0.264
  450    HA   GLU  63           HA       GLU  63   4.697   3.924   3.209
  451    HB2  GLU  63          1HB       GLU  63   6.824   3.753   1.945
  452    HB3  GLU  63          2HB       GLU  63   6.622   5.449   1.471
  453    HG2  GLU  63          1HG       GLU  63   6.721   6.165   3.809
  454    HG3  GLU  63          2HG       GLU  63   6.858   4.493   4.347
  455    H    PHE  64           H        PHE  64   3.538   5.258   4.439
  456    HA   PHE  64           HA       PHE  64   2.820   7.965   3.446
  457    HB2  PHE  64          1HB       PHE  64   1.722   6.208   5.663
  458    HB3  PHE  64          2HB       PHE  64   1.276   7.889   5.440
  459    HD1  PHE  64          1HD       PHE  64   0.073   8.675   3.479
  460    HD2  PHE  64          2HD       PHE  64   0.948   4.495   4.027
  461    HE1  PHE  64          1HE       PHE  64  -1.624   8.087   1.746
  462    HE2  PHE  64          2HE       PHE  64  -0.747   3.913   2.299
  463    HZ   PHE  64           HZ       PHE  64  -2.058   5.733   1.189
  464    H    LEU  65           H        LEU  65   2.929   9.774   4.830
  465    HA   LEU  65           HA       LEU  65   5.391  10.159   6.166
  466    HB2  LEU  65          1HB       LEU  65   3.748  11.870   5.144
  467    HB3  LEU  65          2HB       LEU  65   2.828  11.709   6.647
  468    HG   LEU  65           HG       LEU  65   4.968  12.406   7.879
  469   HD11  LEU  65          1HD1      LEU  65   6.603  12.012   6.062
  470   HD12  LEU  65          2HD1      LEU  65   6.603  13.711   6.543
  471   HD13  LEU  65          3HD1      LEU  65   5.776  13.218   5.050
  472   HD21  LEU  65          1HD2      LEU  65   4.607  14.801   7.388
  473   HD22  LEU  65          2HD2      LEU  65   3.067  13.936   7.508
  474   HD23  LEU  65          3HD2      LEU  65   3.714  14.372   5.910
  475    H    SER  66           H        SER  66   2.268   9.114   7.472
  476    HA   SER  66           HA       SER  66   3.535   8.514  10.093
  477    HB2  SER  66          1HB       SER  66   0.890   9.987   9.852
  478    HB3  SER  66          2HB       SER  66   1.734   9.528  11.334
  479    HG   SER  66           HG       SER  66   2.053  11.737  10.793
  480    H    GLU  67           H        GLU  67   2.397   6.992  11.375
  481    HA   GLU  67           HA       GLU  67   1.324   4.775   9.961
  482    HB2  GLU  67          1HB       GLU  67   2.545   4.716  12.095
  483    HB3  GLU  67          2HB       GLU  67   1.167   5.480  12.914
  484    HG2  GLU  67          1HG       GLU  67  -0.242   3.511  12.347
  485    HG3  GLU  67          2HG       GLU  67   1.114   2.803  11.464
  486    H    GLU  68           H        GLU  68  -0.390   7.444  11.610
  487    HA   GLU  68           HA       GLU  68  -2.997   6.231  11.450
  488    HB2  GLU  68          1HB       GLU  68  -3.859   8.415  12.028
  489    HB3  GLU  68          2HB       GLU  68  -2.466   8.014  13.030
  490    HG2  GLU  68          1HG       GLU  68  -1.029   9.466  11.570
  491    HG3  GLU  68          2HG       GLU  68  -2.459   9.901  10.631
  492    H    ASP  69           H        ASP  69  -1.080   7.854   9.033
  493    HA   ASP  69           HA       ASP  69  -3.340   8.242   7.167
  494    HB2  ASP  69          1HB       ASP  69  -0.334   8.565   6.892
  495    HB3  ASP  69          2HB       ASP  69  -1.472   8.866   5.595
  496    H    ALA  70           H        ALA  70  -0.783   5.852   7.828
  497    HA   ALA  70           HA       ALA  70  -1.304   4.214   5.494
  498    HB1  ALA  70          1HB       ALA  70   0.824   4.163   6.759
  499    HB2  ALA  70          2HB       ALA  70  -0.022   3.562   8.198
  500    HB3  ALA  70          3HB       ALA  70   0.068   2.559   6.749
  501    H    ASP  71           H        ASP  71  -2.426   4.090   8.914
  502    HA   ASP  71           HA       ASP  71  -4.180   1.879   8.725
  503    HB2  ASP  71          1HB       ASP  71  -3.475   3.004  10.808
  504    HB3  ASP  71          2HB       ASP  71  -4.430   4.422  10.373
  505    H    TYR  72           H        TYR  72  -4.710   5.243   7.692
  506    HA   TYR  72           HA       TYR  72  -7.534   4.874   7.109
  507    HB2  TYR  72          1HB       TYR  72  -6.313   7.062   7.608
  508    HB3  TYR  72          2HB       TYR  72  -5.703   7.000   5.960
  509    HD1  TYR  72          1HD       TYR  72  -7.433   6.926   4.036
  510    HD2  TYR  72          2HD       TYR  72  -8.500   7.846   8.110
  511    HE1  TYR  72          1HE       TYR  72  -9.508   8.026   3.234
  512    HE2  TYR  72          2HE       TYR  72 -10.608   8.909   7.309
  513    HH   TYR  72           HH       TYR  72 -11.440   9.117   3.829
  514    H    ALA  73           H        ALA  73  -4.513   4.506   5.165
  515    HA   ALA  73           HA       ALA  73  -5.937   4.091   2.663
  516    HB1  ALA  73          1HB       ALA  73  -3.588   4.828   2.800
  517    HB2  ALA  73          2HB       ALA  73  -3.129   3.271   3.522
  518    HB3  ALA  73          3HB       ALA  73  -3.763   3.333   1.861
  519    H    ILE  74           H        ILE  74  -4.827   1.937   5.281
  520    HA   ILE  74           HA       ILE  74  -5.696  -0.538   4.094
  521    HB   ILE  74           HB       ILE  74  -5.408   0.285   7.014
  522   HG12  ILE  74          1HG1      ILE  74  -3.502  -1.375   5.319
  523   HG13  ILE  74          2HG1      ILE  74  -3.349   0.374   5.455
  524   HG21  ILE  74          1HG2      ILE  74  -5.229  -2.228   7.405
  525   HG22  ILE  74          2HG2      ILE  74  -6.830  -1.682   6.934
  526   HG23  ILE  74          3HG2      ILE  74  -5.782  -2.456   5.729
  527   HD11  ILE  74          1HD1      ILE  74  -1.823  -0.699   6.961
  528   HD12  ILE  74          2HD1      ILE  74  -3.032   0.199   7.884
  529   HD13  ILE  74          3HD1      ILE  74  -3.130  -1.575   7.774
  530    H    LYS  75           H        LYS  75  -7.473   2.021   5.779
  531    HA   LYS  75           HA       LYS  75  -9.965   0.546   5.993
  532    HB2  LYS  75          1HB       LYS  75  -9.369   2.428   7.459
  533    HB3  LYS  75          2HB       LYS  75  -9.440   3.545   6.096
  534    HG2  LYS  75          1HG       LYS  75 -11.820   3.034   5.749
  535    HG3  LYS  75          2HG       LYS  75 -11.782   1.910   7.106
  536    HD2  LYS  75          1HD       LYS  75 -11.257   4.918   7.194
  537    HD3  LYS  75          2HD       LYS  75 -12.748   4.136   7.698
  538    HE2  LYS  75          1HE       LYS  75 -10.018   3.742   9.017
  539    HE3  LYS  75          2HE       LYS  75 -11.275   4.836   9.586
  540    HZ1  LYS  75          1HZ       LYS  75 -11.368   2.744  10.782
  541    HZ2  LYS  75          2HZ       LYS  75 -11.565   1.883   9.412
  542    HZ3  LYS  75          3HZ       LYS  75 -12.734   2.912   9.911
  543    H    ILE  76           H        ILE  76  -8.820   3.013   3.582
  544    HA   ILE  76           HA       ILE  76 -11.308   2.616   2.104
  545    HB   ILE  76           HB       ILE  76 -10.521   4.362   0.623
  546   HG12  ILE  76          1HG1      ILE  76  -8.167   4.900   2.452
  547   HG13  ILE  76          2HG1      ILE  76  -7.988   3.926   1.010
  548   HG21  ILE  76          1HG2      ILE  76 -10.284   5.117   3.573
  549   HG22  ILE  76          2HG2      ILE  76 -10.830   6.160   2.244
  550   HG23  ILE  76          3HG2      ILE  76 -11.820   4.784   2.738
  551   HD11  ILE  76          1HD1      ILE  76  -8.862   6.813   1.181
  552   HD12  ILE  76          2HD1      ILE  76  -7.406   6.148   0.416
  553   HD13  ILE  76          3HD1      ILE  76  -8.986   5.843  -0.312
  554    H    MET  77           H        MET  77  -7.906   1.678   1.439
  555    HA   MET  77           HA       MET  77  -8.638   0.971  -1.321
  556    HB2  MET  77          1HB       MET  77  -6.032   1.121   0.126
  557    HB3  MET  77          2HB       MET  77  -6.154   0.484  -1.510
  558    HG2  MET  77          1HG       MET  77  -7.233   3.217  -0.790
  559    HG3  MET  77          2HG       MET  77  -5.560   2.967  -1.222
  560    HE1  MET  77          1HE       MET  77  -6.784   5.005  -2.551
  561    HE2  MET  77          2HE       MET  77  -5.474   4.422  -3.619
  562    HE3  MET  77          3HE       MET  77  -7.098   4.747  -4.273
  563    H    ASP  78           H        ASP  78  -9.129  -0.677   1.354
  564    HA   ASP  78           HA       ASP  78  -8.171  -3.285   0.353
  565    HB2  ASP  78          1HB       ASP  78  -7.887  -2.701   2.747
  566    HB3  ASP  78          2HB       ASP  78  -9.641  -2.652   2.939
  567    H    MET  79           H        MET  79  -9.405  -4.872  -0.493
  568    HA   MET  79           HA       MET  79 -10.962  -5.770  -1.753
  569    HB2  MET  79          1HB       MET  79 -13.123  -4.525  -0.036
  570    HB3  MET  79          2HB       MET  79 -13.238  -5.925  -1.101
  571    HG2  MET  79          1HG       MET  79 -11.273  -6.871   0.406
  572    HG3  MET  79          2HG       MET  79 -11.846  -5.662   1.555
  573    HE1  MET  79          1HE       MET  79 -12.264  -9.007  -0.152
  574    HE2  MET  79          2HE       MET  79 -13.951  -9.505   0.133
  575    HE3  MET  79          3HE       MET  79 -13.586  -8.195  -1.014
  576    H    ILE  80           H        ILE  80 -10.188  -2.776  -2.171
  577    HA   ILE  80           HA       ILE  80 -12.174  -1.900  -4.136
  578    HB   ILE  80           HB       ILE  80  -9.558  -0.926  -3.072
  579   HG12  ILE  80          1HG1      ILE  80 -12.280   0.261  -3.702
  580   HG13  ILE  80          2HG1      ILE  80 -11.578  -0.093  -2.125
  581   HG21  ILE  80          1HG2      ILE  80  -9.130   0.679  -4.781
  582   HG22  ILE  80          2HG2      ILE  80  -8.998  -0.930  -5.442
  583   HG23  ILE  80          3HG2      ILE  80 -10.461   0.042  -5.792
  584   HD11  ILE  80          1HD1      ILE  80  -9.833   1.719  -2.655
  585   HD12  ILE  80          2HD1      ILE  80 -10.837   2.144  -4.049
  586   HD13  ILE  80          3HD1      ILE  80 -11.497   2.274  -2.411
  587    H    LYS  81           H        LYS  81 -11.893  -1.902  -6.394
  588    HA   LYS  81           HA       LYS  81 -10.331  -4.242  -7.408
  589    HB2  LYS  81          1HB       LYS  81 -12.940  -3.018  -8.347
  590    HB3  LYS  81          2HB       LYS  81 -12.084  -4.352  -9.141
  591    HG2  LYS  81          1HG       LYS  81 -12.266  -5.664  -6.975
  592    HG3  LYS  81          2HG       LYS  81 -13.278  -4.363  -6.337
  593    HD2  LYS  81          1HD       LYS  81 -14.807  -5.986  -7.078
  594    HD3  LYS  81          2HD       LYS  81 -14.821  -4.753  -8.347
  595    HE2  LYS  81          1HE       LYS  81 -13.140  -6.186  -9.617
  596    HE3  LYS  81          2HE       LYS  81 -13.336  -7.421  -8.373
  597    HZ1  LYS  81          1HZ       LYS  81 -15.528  -6.403 -10.103
  598    HZ2  LYS  81          2HZ       LYS  81 -15.697  -7.552  -8.953
  599    HZ3  LYS  81          3HZ       LYS  81 -14.785  -7.845 -10.275
  600    H    LEU  82           H        LEU  82  -8.491  -2.734  -7.488
  601    HA   LEU  82           HA       LEU  82  -8.310  -0.625  -9.416
  602    HB2  LEU  82          1HB       LEU  82  -6.713  -1.065  -7.539
  603    HB3  LEU  82          2HB       LEU  82  -6.128  -2.500  -8.384
  604    HG   LEU  82           HG       LEU  82  -5.197  -1.147 -10.176
  605   HD11  LEU  82          1HD1      LEU  82  -6.748   0.701 -10.397
  606   HD12  LEU  82          2HD1      LEU  82  -5.187   1.377  -9.946
  607   HD13  LEU  82          3HD1      LEU  82  -6.457   1.213  -8.718
  608   HD21  LEU  82          1HD2      LEU  82  -4.536   0.034  -7.440
  609   HD22  LEU  82          2HD2      LEU  82  -3.492   0.064  -8.874
  610   HD23  LEU  82          3HD2      LEU  82  -3.879  -1.479  -8.096
  611    H    TYR  83           H        TYR  83  -8.146  -0.676 -11.666
  612    HA   TYR  83           HA       TYR  83  -8.836  -1.610 -13.629
  613    HB2  TYR  83          1HB       TYR  83  -6.375  -3.289 -13.094
  614    HB3  TYR  83          2HB       TYR  83  -7.123  -3.062 -14.665
  615    HD1  TYR  83          1HD       TYR  83  -4.544  -1.898 -12.599
  616    HD2  TYR  83          2HD       TYR  83  -7.521  -0.520 -15.400
  617    HE1  TYR  83          1HE       TYR  83  -3.128   0.073 -13.135
  618    HE2  TYR  83          2HE       TYR  83  -6.106   1.465 -15.919
  619    HH   TYR  83           HH       TYR  83  -2.897   1.966 -14.418
  620    H    GLY  84           H        GLY  84 -10.374  -2.918 -11.484
  621    HA2  GLY  84          1HA       GLY  84 -12.154  -4.363 -11.643
  622    HA3  GLY  84          2HA       GLY  84 -11.546  -4.967 -13.177
  623    H    LYS  85           H        LYS  85  -9.405  -5.204 -10.409
  624    HA   LYS  85           HA       LYS  85  -9.978  -8.056  -9.942
  625    HB2  LYS  85          1HB       LYS  85  -7.304  -6.781 -10.612
  626    HB3  LYS  85          2HB       LYS  85  -7.449  -8.351  -9.806
  627    HG2  LYS  85          1HG       LYS  85  -8.660  -9.305 -11.683
  628    HG3  LYS  85          2HG       LYS  85  -8.757  -7.730 -12.484
  629    HD2  LYS  85          1HD       LYS  85  -6.273  -7.664 -12.636
  630    HD3  LYS  85          2HD       LYS  85  -6.197  -9.291 -11.925
  631    HE2  LYS  85          1HE       LYS  85  -7.482 -10.208 -13.810
  632    HE3  LYS  85          2HE       LYS  85  -7.737  -8.583 -14.463
  633    HZ1  LYS  85          1HZ       LYS  85  -5.918  -9.667 -15.617
  634    HZ2  LYS  85          2HZ       LYS  85  -5.094  -9.911 -14.226
  635    HZ3  LYS  85          3HZ       LYS  85  -5.337  -8.384 -14.777
  636    HA   PRO  86           HA       PRO  86 -10.113  -6.002  -6.024
  637    HB2  PRO  86          1HB       PRO  86 -10.620  -8.134  -4.348
  638    HB3  PRO  86          2HB       PRO  86 -11.815  -7.367  -5.437
  639    HG2  PRO  86          1HG       PRO  86 -10.176  -9.860  -5.920
  640    HG3  PRO  86          2HG       PRO  86 -11.921  -9.596  -6.235
  641    HD2  PRO  86          1HD       PRO  86 -10.051  -9.406  -8.209
  642    HD3  PRO  86          2HD       PRO  86 -11.442  -8.277  -8.187
  643    H    ILE  87           H        ILE  87  -8.586  -5.174  -4.799
  644    HA   ILE  87           HA       ILE  87  -6.108  -6.698  -4.218
  645    HB   ILE  87           HB       ILE  87  -5.131  -4.520  -3.576
  646   HG12  ILE  87          1HG1      ILE  87  -7.420  -3.145  -4.999
  647   HG13  ILE  87          2HG1      ILE  87  -7.445  -3.359  -3.246
  648   HG21  ILE  87          1HG2      ILE  87  -4.833  -3.765  -5.933
  649   HG22  ILE  87          2HG2      ILE  87  -4.711  -5.516  -5.744
  650   HG23  ILE  87          3HG2      ILE  87  -6.186  -4.796  -6.424
  651   HD11  ILE  87          1HD1      ILE  87  -6.596  -1.146  -3.872
  652   HD12  ILE  87          2HD1      ILE  87  -5.344  -2.091  -3.046
  653   HD13  ILE  87          3HD1      ILE  87  -5.286  -1.876  -4.812
  654    H    ARG  88           H        ARG  88  -5.180  -6.792  -2.207
  655    HA   ARG  88           HA       ARG  88  -6.899  -6.098   0.145
  656    HB2  ARG  88          1HB       ARG  88  -5.131  -8.523  -0.292
  657    HB3  ARG  88          2HB       ARG  88  -5.539  -7.961   1.324
  658    HG2  ARG  88          1HG       ARG  88  -7.588  -8.802  -0.772
  659    HG3  ARG  88          2HG       ARG  88  -7.000  -9.783   0.577
  660    HD2  ARG  88          1HD       ARG  88  -7.792  -7.865   2.113
  661    HD3  ARG  88          2HD       ARG  88  -8.688  -7.261   0.703
  662    HE   ARG  88           HE       ARG  88  -9.371  -9.963   0.945
  663   HH11  ARG  88          1HH1      ARG  88 -11.121  -7.843   3.836
  664   HH12  ARG  88          2HH1      ARG  88  -9.847  -7.064   2.955
  665   HH21  ARG  88          1HH2      ARG  88 -11.038 -10.807   2.130
  666   HH22  ARG  88          2HH2      ARG  88 -11.800  -9.856   3.368
  667    H    VAL  89           H        VAL  89  -6.037  -5.056   1.815
  668    HA   VAL  89           HA       VAL  89  -3.239  -4.065   1.525
  669    HB   VAL  89           HB       VAL  89  -5.628  -2.325   2.218
  670   HG11  VAL  89          1HG1      VAL  89  -4.076  -0.456   1.874
  671   HG12  VAL  89          2HG1      VAL  89  -3.460  -1.518   3.137
  672   HG13  VAL  89          3HG1      VAL  89  -2.752  -1.587   1.518
  673   HG21  VAL  89          1HG2      VAL  89  -5.205  -1.278  -0.031
  674   HG22  VAL  89          2HG2      VAL  89  -4.058  -2.581  -0.388
  675   HG23  VAL  89          3HG2      VAL  89  -5.782  -2.938  -0.164
  676    H    ASN  90           H        ASN  90  -2.058  -3.876   3.339
  677    HA   ASN  90           HA       ASN  90  -3.243  -3.721   6.003
  678    HB2  ASN  90          1HB       ASN  90  -2.157  -5.797   6.858
  679    HB3  ASN  90          2HB       ASN  90  -3.439  -6.093   5.694
  680   HD21  ASN  90          1HD2      ASN  90   0.207  -5.997   5.935
  681   HD22  ASN  90          2HD2      ASN  90   0.363  -7.206   4.691
  682    H    LYS  91           H        LYS  91  -1.379  -3.826   7.725
  683    HA   LYS  91           HA       LYS  91   0.641  -1.857   7.226
  684    HB2  LYS  91          1HB       LYS  91   0.791  -4.131   9.246
  685    HB3  LYS  91          2HB       LYS  91   1.621  -2.582   9.323
  686    HG2  LYS  91          1HG       LYS  91  -1.398  -2.928   9.500
  687    HG3  LYS  91          2HG       LYS  91  -0.337  -2.881  10.886
  688    HD2  LYS  91          1HD       LYS  91  -0.541  -0.614   8.859
  689    HD3  LYS  91          2HD       LYS  91  -1.543  -0.721  10.289
  690    HE2  LYS  91          1HE       LYS  91   1.472  -0.374  10.162
  691    HE3  LYS  91          2HE       LYS  91   0.278   0.816  10.656
  692    HZ1  LYS  91          1HZ       LYS  91   1.417  -1.363  12.183
  693    HZ2  LYS  91          2HZ       LYS  91  -0.205  -1.102  12.443
  694    HZ3  LYS  91          3HZ       LYS  91   0.888   0.088  12.689
  695    H    ALA  92           H        ALA  92   2.791  -2.063   6.398
  696    HA   ALA  92           HA       ALA  92   3.467  -4.514   4.993
  697    HB1  ALA  92          1HB       ALA  92   5.186  -2.081   5.599
  698    HB2  ALA  92          2HB       ALA  92   5.518  -3.336   4.391
  699    HB3  ALA  92          3HB       ALA  92   4.113  -2.271   4.192
  700    H    SER  93           H        SER  93   4.002  -3.455   8.243
  701    HA   SER  93           HA       SER  93   6.111  -5.248   9.020
  702    HB2  SER  93          1HB       SER  93   5.276  -4.713  11.305
  703    HB3  SER  93          2HB       SER  93   5.513  -3.266  10.309
  704    HG   SER  93           HG       SER  93   3.512  -3.094  11.300
  705    H    ALA  94           H        ALA  94   2.914  -5.966   8.040
  706    HA   ALA  94           HA       ALA  94   2.876  -8.553   9.531
  707    HB1  ALA  94          1HB       ALA  94   1.257  -6.910  10.439
  708    HB2  ALA  94          2HB       ALA  94   0.525  -6.747   8.825
  709    HB3  ALA  94          3HB       ALA  94   0.442  -8.295   9.691
  710    H    HIS  95           H        HIS  95   1.632 -10.255   8.532
  711    HA   HIS  95           HA       HIS  95   1.974 -10.368   5.581
  712    HB2  HIS  95          1HB       HIS  95   1.418 -12.538   7.631
  713    HB3  HIS  95          2HB       HIS  95   1.678 -12.797   5.908
  714    HD2  HIS  95          2HD       HIS  95   3.577 -12.078   9.141
  715    HE1  HIS  95          1HE       HIS  95   6.537 -12.430   6.088
  716    HE2  HIS  95          2HE       HIS  95   6.153 -12.244   8.599
  717    H    ASN  96           H        ASN  96  -0.542  -9.659   7.696
  718    HA   ASN  96           HA       ASN  96  -2.623 -10.040   5.664
  719    HB2  ASN  96          1HB       ASN  96  -4.079 -11.351   7.178
  720    HB3  ASN  96          2HB       ASN  96  -2.606 -12.224   6.800
  721   HD21  ASN  96          1HD2      ASN  96  -4.345 -10.467   9.408
  722   HD22  ASN  96          2HD2      ASN  96  -3.330 -11.143  10.672
  723    H    LYS  97           H        LYS  97  -4.700  -9.083   6.361
  724    HA   LYS  97           HA       LYS  97  -4.412  -6.532   7.751
  725    HB2  LYS  97          1HB       LYS  97  -5.916  -7.096   5.742
  726    HB3  LYS  97          2HB       LYS  97  -6.977  -7.923   6.888
  727    HG2  LYS  97          1HG       LYS  97  -7.207  -5.729   8.140
  728    HG3  LYS  97          2HG       LYS  97  -6.202  -4.966   6.889
  729    HD2  LYS  97          1HD       LYS  97  -7.889  -5.723   5.172
  730    HD3  LYS  97          2HD       LYS  97  -8.891  -6.354   6.495
  731    HE2  LYS  97          1HE       LYS  97  -8.856  -3.985   7.479
  732    HE3  LYS  97          2HE       LYS  97  -8.096  -3.461   5.967
  733    HZ1  LYS  97          1HZ       LYS  97 -10.069  -4.450   4.807
  734    HZ2  LYS  97          2HZ       LYS  97 -10.450  -3.161   5.755
  735    HZ3  LYS  97          3HZ       LYS  97 -10.787  -4.681   6.257
  736    H    ASN  98           H        ASN  98  -5.368  -5.898   9.705
  737    HA   ASN  98           HA       ASN  98  -5.446  -7.939  11.779
  738    HB2  ASN  98          1HB       ASN  98  -4.439  -5.704  12.143
  739    HB3  ASN  98          2HB       ASN  98  -6.013  -4.948  11.868
  740   HD21  ASN  98          1HD2      ASN  98  -6.195  -4.034  13.978
  741   HD22  ASN  98          2HD2      ASN  98  -6.501  -5.090  15.361
  742    H    LEU  99           H        LEU  99  -7.148  -8.500  13.103
  743    HA   LEU  99           HA       LEU  99  -9.920  -7.706  12.392
  744    HB2  LEU  99          1HB       LEU  99  -9.227  -9.849  11.266
  745    HB3  LEU  99          2HB       LEU  99  -8.966 -10.562  12.852
  746    HG   LEU  99           HG       LEU  99 -11.377 -10.432  13.342
  747   HD11  LEU  99          1HD1      LEU  99 -12.031  -8.399  12.128
  748   HD12  LEU  99          2HD1      LEU  99 -12.979  -9.768  11.549
  749   HD13  LEU  99          3HD1      LEU  99 -11.619  -9.165  10.576
  750   HD21  LEU  99          1HD2      LEU  99 -10.486 -12.386  12.138
  751   HD22  LEU  99          2HD2      LEU  99 -10.827 -11.590  10.586
  752   HD23  LEU  99          3HD2      LEU  99 -12.159 -12.035  11.677
  753    H    SER 100           H        SER 100  -7.645  -7.735  14.789
  754    HA   SER 100           HA       SER 100  -9.555  -8.319  17.023
  755    HB2  SER 100          1HB       SER 100  -6.560  -8.796  16.870
  756    HB3  SER 100          2HB       SER 100  -7.589  -9.094  18.283
  757    HG   SER 100           HG       SER 100  -7.246 -10.997  17.035
  758    H    GLY 101           H        GLY 101  -9.147  -7.269  19.059
  759    HA2  GLY 101          1HA       GLY 101  -7.422  -4.950  19.289
  760    HA3  GLY 101          2HA       GLY 101  -9.116  -4.506  19.065
  761    HA   PRO 102           HA       PRO 102  -8.119  -5.414  23.597
  762    HB2  PRO 102          1HB       PRO 102  -8.488  -2.943  24.692
  763    HB3  PRO 102          2HB       PRO 102  -6.961  -3.434  23.901
  764    HG2  PRO 102          1HG       PRO 102  -9.265  -1.875  22.674
  765    HG3  PRO 102          2HG       PRO 102  -7.519  -1.459  22.660
  766    HD2  PRO 102          1HD       PRO 102  -8.699  -2.733  20.567
  767    HD3  PRO 102          2HD       PRO 102  -7.034  -3.150  21.079
  768    H    SER 103           H        SER 103  -9.564  -5.458  25.424
  769    HA   SER 103           HA       SER 103 -12.343  -5.851  24.695
  770    HB2  SER 103          1HB       SER 103 -12.554  -6.583  27.057
  771    HB3  SER 103          2HB       SER 103 -11.239  -7.388  26.185
  772    HG   SER 103           HG       SER 103 -10.591  -6.666  28.278
  773    H    SER 104           H        SER 104 -10.670  -3.095  25.864
  774    HA   SER 104           HA       SER 104 -13.186  -1.606  26.206
  775    HB2  SER 104          1HB       SER 104 -12.545  -2.513  28.482
  776    HB3  SER 104          2HB       SER 104 -11.059  -1.548  28.381
  777    HG   SER 104           HG       SER 104 -12.794  -0.467  29.482
  778    H    GLY 105           H        GLY 105 -12.823   0.728  26.274
  779    HA2  GLY 105          1HA       GLY 105 -10.337   2.019  25.654
  780    HA3  GLY 105          2HA       GLY 105 -11.220   1.705  24.158
  Start of MODEL   13
    1    H1   GLY   1          1H        GLY   1  26.162  16.599  11.334
    2    H2   GLY   1          2H        GLY   1  24.919  17.229  12.194
    3    H3   GLY   1          3H        GLY   1  26.165  18.188  11.734
    4    HA2  GLY   1          1HA       GLY   1  24.262  18.630  10.344
    5    HA3  GLY   1          2HA       GLY   1  25.592  17.924   9.409
    6    H    SER   2           H        SER   2  24.251  17.028   7.819
    7    HA   SER   2           HA       SER   2  21.850  15.650   8.232
    8    HB2  SER   2          1HB       SER   2  23.796  15.299   5.924
    9    HB3  SER   2          2HB       SER   2  22.053  14.965   5.908
   10    HG   SER   2           HG       SER   2  22.540  17.024   5.013
   11    H    SER   3           H        SER   3  24.996  14.374   8.828
   12    HA   SER   3           HA       SER   3  24.406  11.549   8.530
   13    HB2  SER   3          1HB       SER   3  26.532  11.327   9.844
   14    HB3  SER   3          2HB       SER   3  26.675  12.315   8.381
   15    HG   SER   3           HG       SER   3  27.676  13.292  10.225
   16    H    GLY   4           H        GLY   4  23.469  13.869  10.918
   17    HA2  GLY   4          1HA       GLY   4  23.431  12.199  13.263
   18    HA3  GLY   4          2HA       GLY   4  22.538  13.697  13.026
   19    H    SER   5           H        SER   5  21.627  11.343  14.383
   20    HA   SER   5           HA       SER   5  19.092  10.810  12.954
   21    HB2  SER   5          1HB       SER   5  19.284   8.391  13.257
   22    HB3  SER   5          2HB       SER   5  20.601   8.984  12.237
   23    HG   SER   5           HG       SER   5  21.060   7.463  14.110
   24    H    SER   6           H        SER   6  17.490   9.707  14.327
   25    HA   SER   6           HA       SER   6  17.433  10.705  17.052
   26    HB2  SER   6          1HB       SER   6  15.538   8.792  15.641
   27    HB3  SER   6          2HB       SER   6  15.221   9.687  17.139
   28    HG   SER   6           HG       SER   6  14.329  10.739  15.301
   29    H    GLY   7           H        GLY   7  18.843   7.889  15.773
   30    HA2  GLY   7          1HA       GLY   7  19.721   6.750  18.160
   31    HA3  GLY   7          2HA       GLY   7  18.198   5.936  17.782
   32    HA   PRO   8           HA       PRO   8  21.677   3.902  15.387
   33    HB2  PRO   8          1HB       PRO   8  21.899   1.508  16.640
   34    HB3  PRO   8          2HB       PRO   8  22.554   3.008  17.350
   35    HG2  PRO   8          1HG       PRO   8  19.861   1.723  17.938
   36    HG3  PRO   8          2HG       PRO   8  21.126   2.212  19.112
   37    HD2  PRO   8          1HD       PRO   8  19.012   3.831  18.478
   38    HD3  PRO   8          2HD       PRO   8  20.635   4.495  18.834
   39    H    ILE   9           H        ILE   9  19.212   4.329  14.366
   40    HA   ILE   9           HA       ILE   9  17.977   1.742  13.596
   41    HB   ILE   9           HB       ILE   9  16.108   3.190  12.745
   42   HG12  ILE   9          1HG1      ILE   9  15.701   5.258  13.870
   43   HG13  ILE   9          2HG1      ILE   9  17.271   5.268  14.652
   44   HG21  ILE   9          1HG2      ILE   9  16.722   3.063  15.727
   45   HG22  ILE   9          2HG2      ILE   9  15.115   3.249  14.993
   46   HG23  ILE   9          3HG2      ILE   9  16.028   1.757  14.742
   47   HD11  ILE   9          1HD1      ILE   9  17.082   6.838  12.716
   48   HD12  ILE   9          2HD1      ILE   9  18.382   5.663  12.508
   49   HD13  ILE   9          3HD1      ILE   9  16.838   5.454  11.634
   50    H    SER  10           H        SER  10  17.251   1.346  11.461
   51    HA   SER  10           HA       SER  10  19.379   1.898   9.535
   52    HB2  SER  10          1HB       SER  10  17.000   0.033   9.306
   53    HB3  SER  10          2HB       SER  10  18.447   0.052   8.277
   54    HG   SER  10           HG       SER  10  18.580  -1.543   9.924
   55    H    GLU  11           H        GLU  11  16.995   3.859  10.122
   56    HA   GLU  11           HA       GLU  11  15.693   5.346   9.046
   57    HB2  GLU  11          1HB       GLU  11  18.108   5.787   8.274
   58    HB3  GLU  11          2HB       GLU  11  17.585   5.194   6.696
   59    HG2  GLU  11          1HG       GLU  11  15.802   6.981   6.682
   60    HG3  GLU  11          2HG       GLU  11  16.354   7.511   8.268
   61    H    ARG  12           H        ARG  12  14.661   2.792   8.832
   62    HA   ARG  12           HA       ARG  12  12.813   3.126   6.567
   63    HB2  ARG  12          1HB       ARG  12  13.053   0.911   5.679
   64    HB3  ARG  12          2HB       ARG  12  14.595   1.748   5.637
   65    HG2  ARG  12          1HG       ARG  12  15.018   0.475   7.955
   66    HG3  ARG  12          2HG       ARG  12  13.705  -0.562   7.387
   67    HD2  ARG  12          1HD       ARG  12  15.764  -1.557   6.699
   68    HD3  ARG  12          2HD       ARG  12  15.012  -0.892   5.236
   69    HE   ARG  12           HE       ARG  12  16.769   1.050   6.454
   70   HH11  ARG  12          1HH1      ARG  12  17.042  -1.834   4.478
   71   HH12  ARG  12          2HH1      ARG  12  18.599  -1.348   3.863
   72   HH21  ARG  12          1HH2      ARG  12  18.674   1.578   5.709
   73   HH22  ARG  12          2HH2      ARG  12  19.516   0.579   4.542
   74    H    ASN  13           H        ASN  13  10.918   1.739   6.704
   75    HA   ASN  13           HA       ASN  13  10.171   0.826   9.426
   76    HB2  ASN  13          1HB       ASN  13   8.232   2.333   9.474
   77    HB3  ASN  13          2HB       ASN  13   9.721   3.255   9.388
   78   HD21  ASN  13          1HD2      ASN  13  10.099   4.558   7.560
   79   HD22  ASN  13          2HD2      ASN  13   8.995   4.676   6.203
   80    H    GLN  14           H        GLN  14   8.088  -0.224   9.520
   81    HA   GLN  14           HA       GLN  14   6.927  -1.178   6.948
   82    HB2  GLN  14          1HB       GLN  14   7.813  -2.927   9.274
   83    HB3  GLN  14          2HB       GLN  14   6.780  -3.470   7.942
   84    HG2  GLN  14          1HG       GLN  14   8.555  -2.956   6.315
   85    HG3  GLN  14          2HG       GLN  14   9.638  -2.510   7.643
   86   HE21  GLN  14          1HE2      GLN  14  10.727  -4.383   6.154
   87   HE22  GLN  14          2HE2      GLN  14  10.541  -5.980   6.869
   88    H    ASP  15           H        ASP  15   6.234   0.500   9.646
   89    HA   ASP  15           HA       ASP  15   3.455  -0.527   9.934
   90    HB2  ASP  15          1HB       ASP  15   3.397   0.693  12.005
   91    HB3  ASP  15          2HB       ASP  15   4.765  -0.414  11.990
   92    H    ALA  16           H        ALA  16   5.339   2.431   9.222
   93    HA   ALA  16           HA       ALA  16   2.927   3.843   8.282
   94    HB1  ALA  16          1HB       ALA  16   5.846   4.680   8.229
   95    HB2  ALA  16          2HB       ALA  16   4.439   5.705   7.884
   96    HB3  ALA  16          3HB       ALA  16   4.679   5.058   9.518
   97    H    THR  17           H        THR  17   4.802   1.444   6.978
   98    HA   THR  17           HA       THR  17   4.125   2.240   4.178
   99    HB   THR  17           HB       THR  17   6.087   0.105   5.072
  100    HG1  THR  17          1HG       THR  17   6.881   2.190   5.379
  101   HG21  THR  17          1HG2      THR  17   6.765   0.094   2.670
  102   HG22  THR  17          2HG2      THR  17   5.438   1.198   2.289
  103   HG23  THR  17          3HG2      THR  17   5.094  -0.446   2.873
  104    H    VAL  18           H        VAL  18   2.560   1.172   3.161
  105    HA   VAL  18           HA       VAL  18   1.296  -1.183   4.494
  106    HB   VAL  18           HB       VAL  18  -0.718  -0.749   3.332
  107   HG11  VAL  18          1HG1      VAL  18  -0.250   0.591   5.396
  108   HG12  VAL  18          2HG1      VAL  18   0.286   1.933   4.358
  109   HG13  VAL  18          3HG1      VAL  18  -1.390   1.373   4.281
  110   HG21  VAL  18          1HG2      VAL  18   0.624   1.590   1.940
  111   HG22  VAL  18          2HG2      VAL  18   0.081   0.090   1.154
  112   HG23  VAL  18          3HG2      VAL  18  -1.099   1.189   1.874
  113    H    TYR  19           H        TYR  19   0.745  -2.979   3.307
  114    HA   TYR  19           HA       TYR  19   2.256  -3.538   0.790
  115    HB2  TYR  19          1HB       TYR  19   2.705  -5.168   2.473
  116    HB3  TYR  19          2HB       TYR  19   1.029  -5.223   2.984
  117    HD1  TYR  19          1HD       TYR  19   3.461  -6.512   0.542
  118    HD2  TYR  19          2HD       TYR  19  -0.696  -6.428   1.695
  119    HE1  TYR  19          1HE       TYR  19   3.027  -8.517  -0.864
  120    HE2  TYR  19          2HE       TYR  19  -1.132  -8.412   0.258
  121    HH   TYR  19           HH       TYR  19   1.470 -10.021  -1.612
  122    H    VAL  20           H        VAL  20   1.152  -4.096  -1.045
  123    HA   VAL  20           HA       VAL  20  -1.840  -4.234  -1.031
  124    HB   VAL  20           HB       VAL  20  -0.217  -2.817  -3.173
  125   HG11  VAL  20          1HG1      VAL  20  -2.493  -2.124  -3.915
  126   HG12  VAL  20          2HG1      VAL  20  -2.305  -3.891  -3.949
  127   HG13  VAL  20          3HG1      VAL  20  -3.209  -3.121  -2.637
  128   HG21  VAL  20          1HG2      VAL  20  -1.250  -0.733  -2.387
  129   HG22  VAL  20          2HG2      VAL  20  -1.940  -1.587  -0.985
  130   HG23  VAL  20          3HG2      VAL  20  -0.181  -1.407  -1.161
  131    H    GLY  21           H        GLY  21  -2.302  -6.269  -1.608
  132    HA2  GLY  21          1HA       GLY  21  -0.589  -7.696  -3.618
  133    HA3  GLY  21          2HA       GLY  21  -1.568  -8.472  -2.388
  134    H    GLY  22           H        GLY  22  -1.490  -8.713  -5.352
  135    HA2  GLY  22          1HA       GLY  22  -3.215  -9.709  -6.645
  136    HA3  GLY  22          2HA       GLY  22  -4.443  -8.819  -5.744
  137    H    LEU  23           H        LEU  23  -1.515  -7.533  -7.351
  138    HA   LEU  23           HA       LEU  23  -3.115  -5.372  -8.525
  139    HB2  LEU  23          1HB       LEU  23  -0.117  -5.895  -8.373
  140    HB3  LEU  23          2HB       LEU  23  -0.841  -4.459  -9.087
  141    HG   LEU  23           HG       LEU  23  -1.087  -5.297  -6.157
  142   HD11  LEU  23          1HD1      LEU  23   1.146  -4.479  -6.849
  143   HD12  LEU  23          2HD1      LEU  23   0.338  -3.387  -5.711
  144   HD13  LEU  23          3HD1      LEU  23   0.410  -2.982  -7.439
  145   HD21  LEU  23          1HD2      LEU  23  -1.972  -2.851  -6.019
  146   HD22  LEU  23          2HD2      LEU  23  -3.070  -4.106  -6.614
  147   HD23  LEU  23          3HD2      LEU  23  -2.276  -2.998  -7.746
  148    H    ASP  24           H        ASP  24  -3.261  -4.841 -10.644
  149    HA   ASP  24           HA       ASP  24  -3.013  -7.039 -12.547
  150    HB2  ASP  24          1HB       ASP  24  -5.040  -5.615 -12.444
  151    HB3  ASP  24          2HB       ASP  24  -4.074  -4.196 -12.847
  152    H    GLU  25           H        GLU  25  -1.975  -6.786 -14.693
  153    HA   GLU  25           HA       GLU  25   0.721  -5.926 -14.563
  154    HB2  GLU  25          1HB       GLU  25   0.822  -6.458 -16.919
  155    HB3  GLU  25          2HB       GLU  25  -0.077  -7.691 -16.039
  156    HG2  GLU  25          1HG       GLU  25  -2.220  -6.699 -16.842
  157    HG3  GLU  25          2HG       GLU  25  -1.316  -5.463 -17.720
  158    H    LYS  26           H        LYS  26  -2.104  -3.996 -15.372
  159    HA   LYS  26           HA       LYS  26  -0.570  -1.818 -16.607
  160    HB2  LYS  26          1HB       LYS  26  -3.432  -2.014 -15.596
  161    HB3  LYS  26          2HB       LYS  26  -2.759  -0.605 -16.427
  162    HG2  LYS  26          1HG       LYS  26  -2.213  -1.999 -18.400
  163    HG3  LYS  26          2HG       LYS  26  -2.931  -3.409 -17.627
  164    HD2  LYS  26          1HD       LYS  26  -4.378  -0.833 -18.363
  165    HD3  LYS  26          2HD       LYS  26  -4.445  -2.340 -19.270
  166    HE2  LYS  26          1HE       LYS  26  -5.483  -1.906 -16.436
  167    HE3  LYS  26          2HE       LYS  26  -6.463  -1.981 -17.905
  168    HZ1  LYS  26          1HZ       LYS  26  -6.513  -4.120 -16.866
  169    HZ2  LYS  26          2HZ       LYS  26  -4.894  -4.193 -16.696
  170    HZ3  LYS  26          3HZ       LYS  26  -5.578  -4.299 -18.194
  171    H    VAL  27           H        VAL  27  -0.934  -2.751 -13.346
  172    HA   VAL  27           HA       VAL  27  -0.908  -0.079 -12.165
  173    HB   VAL  27           HB       VAL  27  -0.319  -2.789 -10.915
  174   HG11  VAL  27          1HG1      VAL  27  -0.842  -0.081  -9.625
  175   HG12  VAL  27          2HG1      VAL  27  -0.846  -1.630  -8.780
  176   HG13  VAL  27          3HG1      VAL  27   0.640  -1.045  -9.511
  177   HG21  VAL  27          1HG2      VAL  27  -2.622  -2.591 -10.000
  178   HG22  VAL  27          2HG2      VAL  27  -2.856  -1.087 -10.906
  179   HG23  VAL  27          3HG2      VAL  27  -2.639  -2.630 -11.760
  180    H    SER  28           H        SER  28   0.799   1.138 -11.474
  181    HA   SER  28           HA       SER  28   3.499  -0.066 -11.281
  182    HB2  SER  28          1HB       SER  28   3.225   0.834 -13.619
  183    HB3  SER  28          2HB       SER  28   3.036   2.452 -12.916
  184    HG   SER  28           HG       SER  28   5.228   1.884 -13.547
  185    H    GLU  29           H        GLU  29   5.079   1.568 -10.323
  186    HA   GLU  29           HA       GLU  29   4.135   2.391  -7.769
  187    HB2  GLU  29          1HB       GLU  29   6.652   2.899  -9.387
  188    HB3  GLU  29          2HB       GLU  29   6.433   3.733  -7.859
  189    HG2  GLU  29          1HG       GLU  29   6.634   1.811  -6.599
  190    HG3  GLU  29          2HG       GLU  29   5.942   0.797  -7.840
  191    HA   PRO  30           HA       PRO  30   3.956   6.967  -9.274
  192    HB2  PRO  30          1HB       PRO  30   3.228   6.576 -12.174
  193    HB3  PRO  30          2HB       PRO  30   4.157   7.903 -11.409
  194    HG2  PRO  30          1HG       PRO  30   5.455   5.967 -12.777
  195    HG3  PRO  30          2HG       PRO  30   6.098   6.509 -11.188
  196    HD2  PRO  30          1HD       PRO  30   4.351   4.099 -11.779
  197    HD3  PRO  30          2HD       PRO  30   5.875   4.179 -10.851
  198    H    LEU  31           H        LEU  31   1.890   4.395 -10.611
  199    HA   LEU  31           HA       LEU  31  -0.598   5.903 -10.462
  200    HB2  LEU  31          1HB       LEU  31  -0.317   3.833 -11.884
  201    HB3  LEU  31          2HB       LEU  31  -0.150   2.887 -10.409
  202    HG   LEU  31           HG       LEU  31  -2.492   3.728  -9.703
  203   HD11  LEU  31          1HD1      LEU  31  -2.635   5.609 -11.293
  204   HD12  LEU  31          2HD1      LEU  31  -3.919   4.427 -11.594
  205   HD13  LEU  31          3HD1      LEU  31  -2.487   4.466 -12.655
  206   HD21  LEU  31          1HD2      LEU  31  -2.083   2.010 -12.186
  207   HD22  LEU  31          2HD2      LEU  31  -3.585   2.089 -11.247
  208   HD23  LEU  31          3HD2      LEU  31  -2.115   1.469 -10.484
  209    H    LEU  32           H        LEU  32   0.962   3.381  -8.420
  210    HA   LEU  32           HA       LEU  32  -0.983   3.375  -6.378
  211    HB2  LEU  32          1HB       LEU  32   2.029   2.913  -6.069
  212    HB3  LEU  32          2HB       LEU  32   0.786   2.488  -4.896
  213    HG   LEU  32           HG       LEU  32   1.264   1.234  -7.604
  214   HD11  LEU  32          1HD1      LEU  32   1.543  -0.798  -6.277
  215   HD12  LEU  32          2HD1      LEU  32   1.163   0.092  -4.785
  216   HD13  LEU  32          3HD1      LEU  32   2.652   0.458  -5.694
  217   HD21  LEU  32          1HD2      LEU  32  -1.130   1.349  -7.424
  218   HD22  LEU  32          2HD2      LEU  32  -1.085   0.907  -5.696
  219   HD23  LEU  32          3HD2      LEU  32  -0.665  -0.289  -6.935
  220    H    TRP  33           H        TRP  33   1.904   5.454  -6.650
  221    HA   TRP  33           HA       TRP  33   1.685   6.742  -4.152
  222    HB2  TRP  33          1HB       TRP  33   3.540   6.812  -5.893
  223    HB3  TRP  33          2HB       TRP  33   2.619   8.013  -6.762
  224    HD1  TRP  33           HD       TRP  33   1.820   9.878  -4.221
  225    HE1  TRP  33          1HE       TRP  33   3.655  11.237  -3.035
  226    HE3  TRP  33          3HE       TRP  33   5.868   7.240  -5.795
  227    HZ2  TRP  33          2HZ       TRP  33   6.548  11.225  -2.875
  228    HZ3  TRP  33          3HZ       TRP  33   8.185   7.930  -5.133
  229    HH2  TRP  33           HH       TRP  33   8.523   9.921  -3.681
  230    H    GLU  34           H        GLU  34   0.562   8.070  -7.283
  231    HA   GLU  34           HA       GLU  34  -0.924  10.215  -6.125
  232    HB2  GLU  34          1HB       GLU  34  -1.161   8.879  -8.858
  233    HB3  GLU  34          2HB       GLU  34  -1.972  10.386  -8.394
  234    HG2  GLU  34          1HG       GLU  34   0.309  11.311  -7.781
  235    HG3  GLU  34          2HG       GLU  34   1.031   9.912  -8.567
  236    H    LEU  35           H        LEU  35  -1.961   6.914  -6.840
  237    HA   LEU  35           HA       LEU  35  -4.781   7.384  -6.453
  238    HB2  LEU  35          1HB       LEU  35  -3.559   5.384  -7.603
  239    HB3  LEU  35          2HB       LEU  35  -3.331   4.772  -5.957
  240    HG   LEU  35           HG       LEU  35  -5.906   5.022  -5.771
  241   HD11  LEU  35          1HD1      LEU  35  -5.630   4.981  -8.793
  242   HD12  LEU  35          2HD1      LEU  35  -6.275   6.325  -7.822
  243   HD13  LEU  35          3HD1      LEU  35  -7.139   4.782  -7.874
  244   HD21  LEU  35          1HD2      LEU  35  -4.748   2.877  -5.806
  245   HD22  LEU  35          2HD2      LEU  35  -4.688   2.920  -7.587
  246   HD23  LEU  35          3HD2      LEU  35  -6.248   2.796  -6.732
  247    H    PHE  36           H        PHE  36  -2.135   6.572  -4.194
  248    HA   PHE  36           HA       PHE  36  -3.998   6.131  -1.948
  249    HB2  PHE  36          1HB       PHE  36  -1.063   5.717  -2.433
  250    HB3  PHE  36          2HB       PHE  36  -1.646   5.813  -0.815
  251    HD1  PHE  36          1HD       PHE  36  -2.167   3.815   0.272
  252    HD2  PHE  36          2HD       PHE  36  -2.589   3.997  -4.004
  253    HE1  PHE  36          1HE       PHE  36  -2.869   1.437   0.237
  254    HE2  PHE  36          2HE       PHE  36  -3.213   1.602  -4.049
  255    HZ   PHE  36           HZ       PHE  36  -3.413   0.330  -1.921
  256    H    LEU  37           H        LEU  37  -2.328   8.858  -3.209
  257    HA   LEU  37           HA       LEU  37  -2.044  10.507  -0.948
  258    HB2  LEU  37          1HB       LEU  37  -2.959  11.046  -3.791
  259    HB3  LEU  37          2HB       LEU  37  -2.793  12.349  -2.619
  260    HG   LEU  37           HG       LEU  37  -0.536  10.583  -3.598
  261   HD11  LEU  37          1HD1      LEU  37  -1.087  13.544  -3.994
  262   HD12  LEU  37          2HD1      LEU  37  -1.378  12.288  -5.211
  263   HD13  LEU  37          3HD1      LEU  37   0.275  12.615  -4.659
  264   HD21  LEU  37          1HD2      LEU  37  -0.101  11.195  -1.295
  265   HD22  LEU  37          2HD2      LEU  37  -0.528  12.888  -1.620
  266   HD23  LEU  37          3HD2      LEU  37   0.926  12.164  -2.357
  267    H    GLN  38           H        GLN  38  -4.989   9.277  -2.228
  268    HA   GLN  38           HA       GLN  38  -6.887  11.139  -1.147
  269    HB2  GLN  38          1HB       GLN  38  -7.219   8.136  -1.581
  270    HB3  GLN  38          2HB       GLN  38  -8.512   9.337  -1.436
  271    HG2  GLN  38          1HG       GLN  38  -7.642  10.461  -3.514
  272    HG3  GLN  38          2HG       GLN  38  -6.427   9.172  -3.627
  273   HE21  GLN  38          1HE2      GLN  38  -7.060   7.087  -4.328
  274   HE22  GLN  38          2HE2      GLN  38  -8.677   6.781  -4.986
  275    H    ALA  39           H        ALA  39  -5.142   8.423   0.311
  276    HA   ALA  39           HA       ALA  39  -6.734   8.437   2.781
  277    HB1  ALA  39          1HB       ALA  39  -5.723   6.366   1.940
  278    HB2  ALA  39          2HB       ALA  39  -4.105   7.080   2.046
  279    HB3  ALA  39          3HB       ALA  39  -5.039   6.789   3.524
  280    H    GLY  40           H        GLY  40  -3.462   9.514   1.814
  281    HA2  GLY  40          1HA       GLY  40  -3.381  11.788   3.543
  282    HA3  GLY  40          2HA       GLY  40  -2.556  10.431   4.318
  283    HA   PRO  41           HA       PRO  41   0.376  12.731   1.457
  284    HB2  PRO  41          1HB       PRO  41   2.371  13.257   3.270
  285    HB3  PRO  41          2HB       PRO  41   0.933  14.297   3.037
  286    HG2  PRO  41          1HG       PRO  41   1.326  12.124   5.118
  287    HG3  PRO  41          2HG       PRO  41   0.780  13.809   5.378
  288    HD2  PRO  41          1HD       PRO  41  -0.954  11.726   5.175
  289    HD3  PRO  41          2HD       PRO  41  -1.368  13.298   4.430
  290    H    VAL  42           H        VAL  42   1.073  11.151   0.190
  291    HA   VAL  42           HA       VAL  42   2.580   8.815   1.168
  292    HB   VAL  42           HB       VAL  42   1.828   9.629  -1.657
  293   HG11  VAL  42          1HG1      VAL  42   2.441   7.266  -2.208
  294   HG12  VAL  42          2HG1      VAL  42   3.835   8.215  -1.715
  295   HG13  VAL  42          3HG1      VAL  42   3.096   7.072  -0.575
  296   HG21  VAL  42          1HG2      VAL  42   0.675   7.471   0.155
  297   HG22  VAL  42          2HG2      VAL  42  -0.142   8.983  -0.291
  298   HG23  VAL  42          3HG2      VAL  42   0.215   7.783  -1.533
  299    H    VAL  43           H        VAL  43   4.665   8.581   1.117
  300    HA   VAL  43           HA       VAL  43   6.408  10.899   0.397
  301    HB   VAL  43           HB       VAL  43   7.039   8.592   2.274
  302   HG11  VAL  43          1HG1      VAL  43   8.982   9.960   1.639
  303   HG12  VAL  43          2HG1      VAL  43   8.107  11.443   2.106
  304   HG13  VAL  43          3HG1      VAL  43   8.554  10.244   3.334
  305   HG21  VAL  43          1HG2      VAL  43   5.718  11.237   3.001
  306   HG22  VAL  43          2HG2      VAL  43   5.016   9.608   3.147
  307   HG23  VAL  43          3HG2      VAL  43   6.396  10.050   4.146
  308    H    ASN  44           H        ASN  44   6.010   7.430  -0.065
  309    HA   ASN  44           HA       ASN  44   7.945   7.264  -2.242
  310    HB2  ASN  44          1HB       ASN  44   9.496   7.221  -0.395
  311    HB3  ASN  44          2HB       ASN  44   8.485   6.144   0.534
  312   HD21  ASN  44          1HD2      ASN  44   9.557   4.263   0.771
  313   HD22  ASN  44          2HD2      ASN  44  10.340   3.396  -0.563
  314    H    THR  45           H        THR  45   8.002   5.042  -3.146
  315    HA   THR  45           HA       THR  45   5.796   3.189  -2.443
  316    HB   THR  45           HB       THR  45   5.420   2.886  -4.980
  317    HG1  THR  45          1HG       THR  45   7.135   4.314  -5.599
  318   HG21  THR  45          1HG2      THR  45   3.661   4.467  -5.104
  319   HG22  THR  45          2HG2      THR  45   4.352   5.452  -3.783
  320   HG23  THR  45          3HG2      THR  45   3.718   3.817  -3.465
  321    H    HIS  46           H        HIS  46   6.097   1.036  -3.283
  322    HA   HIS  46           HA       HIS  46   8.634   0.464  -4.701
  323    HB2  HIS  46          1HB       HIS  46   9.081   0.213  -2.208
  324    HB3  HIS  46          2HB       HIS  46   7.840  -1.013  -2.168
  325    HD2  HIS  46          2HD       HIS  46   9.531  -2.935  -1.452
  326    HE1  HIS  46          1HE       HIS  46  11.790  -3.082  -5.069
  327    HE2  HIS  46          2HE       HIS  46  11.349  -4.241  -2.843
  328    H    MET  47           H        MET  47   8.494  -1.273  -6.067
  329    HA   MET  47           HA       MET  47   6.218  -3.174  -5.902
  330    HB2  MET  47          1HB       MET  47   6.821  -1.440  -8.305
  331    HB3  MET  47          2HB       MET  47   6.078  -3.020  -8.483
  332    HG2  MET  47          1HG       MET  47   4.854  -1.030  -6.569
  333    HG3  MET  47          2HG       MET  47   4.576  -0.865  -8.285
  334    HE1  MET  47          1HE       MET  47   2.734  -1.852  -9.519
  335    HE2  MET  47          2HE       MET  47   3.943  -3.125  -9.766
  336    HE3  MET  47          3HE       MET  47   2.268  -3.565  -9.345
  337    HA   PRO  48           HA       PRO  48  10.210  -5.354  -6.370
  338    HB2  PRO  48          1HB       PRO  48   8.283  -7.616  -5.780
  339    HB3  PRO  48          2HB       PRO  48   9.974  -7.400  -5.217
  340    HG2  PRO  48          1HG       PRO  48   7.948  -6.769  -3.568
  341    HG3  PRO  48          2HG       PRO  48   9.315  -5.628  -3.730
  342    HD2  PRO  48          1HD       PRO  48   6.603  -5.514  -5.078
  343    HD3  PRO  48          2HD       PRO  48   7.512  -4.200  -4.270
  344    H    LYS  49           H        LYS  49  11.077  -6.145  -8.205
  345    HA   LYS  49           HA       LYS  49   9.276  -6.857 -10.477
  346    HB2  LYS  49          1HB       LYS  49  12.155  -5.924 -10.639
  347    HB3  LYS  49          2HB       LYS  49  11.026  -6.147 -11.967
  348    HG2  LYS  49          1HG       LYS  49  10.940  -3.998  -9.822
  349    HG3  LYS  49          2HG       LYS  49  11.334  -3.800 -11.529
  350    HD2  LYS  49          1HD       LYS  49   8.972  -4.547 -12.087
  351    HD3  LYS  49          2HD       LYS  49   8.605  -4.487 -10.361
  352    HE2  LYS  49          1HE       LYS  49   9.419  -2.166 -12.167
  353    HE3  LYS  49          2HE       LYS  49   7.847  -2.445 -11.417
  354    HZ1  LYS  49          1HZ       LYS  49   9.105  -2.269  -9.226
  355    HZ2  LYS  49          2HZ       LYS  49   8.905  -0.860 -10.033
  356    HZ3  LYS  49          3HZ       LYS  49  10.350  -1.634 -10.070
  357    H    ASP  50           H        ASP  50   9.541  -8.617 -11.677
  358    HA   ASP  50           HA       ASP  50  10.775 -10.959 -10.534
  359    HB2  ASP  50          1HB       ASP  50   8.668 -10.973 -11.843
  360    HB3  ASP  50          2HB       ASP  50   9.550 -10.431 -13.267
  361    H    ARG  51           H        ARG  51  12.624 -12.065 -11.110
  362    HA   ARG  51           HA       ARG  51  14.700 -10.474 -12.408
  363    HB2  ARG  51          1HB       ARG  51  16.265 -11.990 -11.435
  364    HB3  ARG  51          2HB       ARG  51  15.052 -11.552 -10.235
  365    HG2  ARG  51          1HG       ARG  51  13.894 -13.747 -10.640
  366    HG3  ARG  51          2HG       ARG  51  15.166 -14.173 -11.800
  367    HD2  ARG  51          1HD       ARG  51  16.869 -13.956  -9.987
  368    HD3  ARG  51          2HD       ARG  51  15.586 -13.550  -8.850
  369    HE   ARG  51           HE       ARG  51  14.905 -15.768  -8.757
  370   HH11  ARG  51          1HH1      ARG  51  17.278 -15.536 -11.331
  371   HH12  ARG  51          2HH1      ARG  51  17.417 -17.267 -11.474
  372   HH21  ARG  51          1HH2      ARG  51  15.135 -17.958  -8.997
  373   HH22  ARG  51          2HH2      ARG  51  16.234 -18.594 -10.185
  374    H    VAL  52           H        VAL  52  12.558 -12.247 -14.001
  375    HA   VAL  52           HA       VAL  52  14.532 -13.220 -16.046
  376    HB   VAL  52           HB       VAL  52  11.996 -14.694 -15.225
  377   HG11  VAL  52          1HG1      VAL  52  14.292 -15.473 -17.076
  378   HG12  VAL  52          2HG1      VAL  52  12.945 -16.530 -16.599
  379   HG13  VAL  52          3HG1      VAL  52  12.626 -15.095 -17.570
  380   HG21  VAL  52          1HG2      VAL  52  13.579 -14.960 -13.403
  381   HG22  VAL  52          2HG2      VAL  52  13.540 -16.450 -14.335
  382   HG23  VAL  52          3HG2      VAL  52  14.900 -15.324 -14.543
  383    H    THR  53           H        THR  53  11.256 -12.078 -15.331
  384    HA   THR  53           HA       THR  53  10.743 -11.504 -18.209
  385    HB   THR  53           HB       THR  53   8.360 -11.352 -17.534
  386    HG1  THR  53          1HG       THR  53   9.317 -12.304 -15.044
  387   HG21  THR  53          1HG2      THR  53   7.957 -13.727 -17.156
  388   HG22  THR  53          2HG2      THR  53   9.645 -13.982 -16.665
  389   HG23  THR  53          3HG2      THR  53   9.260 -13.524 -18.339
  390    H    GLY  54           H        GLY  54  11.306  -9.983 -15.149
  391    HA2  GLY  54          1HA       GLY  54  11.790  -7.828 -14.667
  392    HA3  GLY  54          2HA       GLY  54  11.615  -7.449 -16.378
  393    H    GLN  55           H        GLN  55   8.702  -8.771 -15.349
  394    HA   GLN  55           HA       GLN  55   7.346  -6.159 -15.056
  395    HB2  GLN  55          1HB       GLN  55   5.292  -7.534 -14.927
  396    HB3  GLN  55          2HB       GLN  55   6.193  -7.761 -16.417
  397    HG2  GLN  55          1HG       GLN  55   6.823  -9.933 -15.903
  398    HG3  GLN  55          2HG       GLN  55   6.702  -9.711 -14.161
  399   HE21  GLN  55          1HE2      GLN  55   4.460  -9.548 -13.197
  400   HE22  GLN  55          2HE2      GLN  55   3.169 -10.391 -14.051
  401    H    HIS  56           H        HIS  56   5.685  -5.991 -13.184
  402    HA   HIS  56           HA       HIS  56   7.038  -6.463 -10.651
  403    HB2  HIS  56          1HB       HIS  56   5.252  -5.391  -9.592
  404    HB3  HIS  56          2HB       HIS  56   5.560  -4.501 -11.075
  405    HD2  HIS  56          2HD       HIS  56   3.445  -4.028 -12.552
  406    HE1  HIS  56          1HE       HIS  56   0.695  -6.669 -10.651
  407    HE2  HIS  56          2HE       HIS  56   0.926  -4.801 -12.343
  408    H    GLN  57           H        GLN  57   6.247  -7.715  -8.890
  409    HA   GLN  57           HA       GLN  57   5.589 -10.412  -9.798
  410    HB2  GLN  57          1HB       GLN  57   6.544  -9.306  -7.138
  411    HB3  GLN  57          2HB       GLN  57   6.285 -11.027  -7.468
  412    HG2  GLN  57          1HG       GLN  57   7.924 -10.959  -9.312
  413    HG3  GLN  57          2HG       GLN  57   8.222  -9.248  -9.008
  414   HE21  GLN  57          1HE2      GLN  57   8.490 -12.514  -7.493
  415   HE22  GLN  57          2HE2      GLN  57   9.788 -12.031  -6.411
  416    H    GLY  58           H        GLY  58   3.353  -8.288  -9.487
  417    HA2  GLY  58          1HA       GLY  58   1.063  -8.646  -9.275
  418    HA3  GLY  58          2HA       GLY  58   1.346 -10.136  -8.379
  419    H    TYR  59           H        TYR  59   3.223  -7.777  -6.920
  420    HA   TYR  59           HA       TYR  59   1.119  -6.583  -5.257
  421    HB2  TYR  59          1HB       TYR  59   2.065  -7.318  -3.168
  422    HB3  TYR  59          2HB       TYR  59   1.599  -8.705  -4.128
  423    HD1  TYR  59          1HD       TYR  59   3.363 -10.115  -5.247
  424    HD2  TYR  59          2HD       TYR  59   4.347  -6.972  -2.458
  425    HE1  TYR  59          1HE       TYR  59   5.635 -11.089  -4.951
  426    HE2  TYR  59          2HE       TYR  59   6.587  -7.993  -2.105
  427    HH   TYR  59           HH       TYR  59   8.038  -9.672  -2.698
  428    H    GLY  60           H        GLY  60   1.844  -4.892  -3.916
  429    HA2  GLY  60          1HA       GLY  60   4.430  -3.552  -4.572
  430    HA3  GLY  60          2HA       GLY  60   2.913  -2.727  -4.870
  431    H    PHE  61           H        PHE  61   4.385  -1.352  -3.324
  432    HA   PHE  61           HA       PHE  61   3.039  -1.446  -0.702
  433    HB2  PHE  61          1HB       PHE  61   6.020  -0.965  -1.018
  434    HB3  PHE  61          2HB       PHE  61   5.122  -0.897   0.472
  435    HD1  PHE  61          1HD       PHE  61   6.491  -3.174  -2.120
  436    HD2  PHE  61          2HD       PHE  61   4.606  -2.880   1.744
  437    HE1  PHE  61          1HE       PHE  61   7.085  -5.540  -1.648
  438    HE2  PHE  61          2HE       PHE  61   5.219  -5.243   2.222
  439    HZ   PHE  61           HZ       PHE  61   6.450  -6.576   0.521
  440    H    VAL  62           H        VAL  62   2.884   0.557   0.353
  441    HA   VAL  62           HA       VAL  62   3.772   3.005  -1.106
  442    HB   VAL  62           HB       VAL  62   0.967   2.739   0.041
  443   HG11  VAL  62          1HG1      VAL  62   0.615   4.856  -1.176
  444   HG12  VAL  62          2HG1      VAL  62   1.859   5.025   0.050
  445   HG13  VAL  62          3HG1      VAL  62   2.318   4.867  -1.665
  446   HG21  VAL  62          1HG2      VAL  62   1.005   1.326  -1.927
  447   HG22  VAL  62          2HG2      VAL  62   0.198   2.837  -2.339
  448   HG23  VAL  62          3HG2      VAL  62   1.878   2.565  -2.853
  449    H    GLU  63           H        GLU  63   4.637   4.523   0.205
  450    HA   GLU  63           HA       GLU  63   4.603   4.008   3.149
  451    HB2  GLU  63          1HB       GLU  63   6.746   3.766   1.949
  452    HB3  GLU  63          2HB       GLU  63   6.618   5.472   1.446
  453    HG2  GLU  63          1HG       GLU  63   6.760   6.255   3.703
  454    HG3  GLU  63          2HG       GLU  63   6.604   4.627   4.358
  455    H    PHE  64           H        PHE  64   3.706   5.416   4.462
  456    HA   PHE  64           HA       PHE  64   2.880   8.097   3.465
  457    HB2  PHE  64          1HB       PHE  64   1.839   6.290   5.666
  458    HB3  PHE  64          2HB       PHE  64   1.363   7.970   5.495
  459    HD1  PHE  64          1HD       PHE  64   1.134   4.619   3.918
  460    HD2  PHE  64          2HD       PHE  64   0.022   8.773   3.666
  461    HE1  PHE  64          1HE       PHE  64  -0.596   4.050   2.225
  462    HE2  PHE  64          2HE       PHE  64  -1.704   8.198   1.958
  463    HZ   PHE  64           HZ       PHE  64  -2.042   5.861   1.279
  464    H    LEU  65           H        LEU  65   2.972   9.895   4.877
  465    HA   LEU  65           HA       LEU  65   5.466  10.317   6.134
  466    HB2  LEU  65          1HB       LEU  65   3.758  12.004   5.182
  467    HB3  LEU  65          2HB       LEU  65   2.895  11.817   6.716
  468    HG   LEU  65           HG       LEU  65   5.061  12.537   7.879
  469   HD11  LEU  65          1HD1      LEU  65   6.640  12.188   6.001
  470   HD12  LEU  65          2HD1      LEU  65   6.629  13.883   6.501
  471   HD13  LEU  65          3HD1      LEU  65   5.758  13.390   5.032
  472   HD21  LEU  65          1HD2      LEU  65   4.645  14.932   7.424
  473   HD22  LEU  65          2HD2      LEU  65   3.124  14.040   7.590
  474   HD23  LEU  65          3HD2      LEU  65   3.707  14.501   5.974
  475    H    SER  66           H        SER  66   2.424   9.172   7.528
  476    HA   SER  66           HA       SER  66   3.819   8.535  10.069
  477    HB2  SER  66          1HB       SER  66   1.132   9.954  10.028
  478    HB3  SER  66          2HB       SER  66   2.087   9.490  11.440
  479    HG   SER  66           HG       SER  66   3.714  10.966  10.743
  480    H    GLU  67           H        GLU  67   2.797   6.938  11.339
  481    HA   GLU  67           HA       GLU  67   1.740   4.743   9.882
  482    HB2  GLU  67          1HB       GLU  67   3.095   4.559  11.842
  483    HB3  GLU  67          2HB       GLU  67   1.911   5.386  12.837
  484    HG2  GLU  67          1HG       GLU  67   1.274   2.763  11.430
  485    HG3  GLU  67          2HG       GLU  67   2.175   2.781  12.935
  486    H    GLU  68           H        GLU  68   0.000   7.257  11.722
  487    HA   GLU  68           HA       GLU  68  -2.553   5.937  11.611
  488    HB2  GLU  68          1HB       GLU  68  -3.485   8.054  12.313
  489    HB3  GLU  68          2HB       GLU  68  -2.041   7.672  13.246
  490    HG2  GLU  68          1HG       GLU  68  -0.722   9.249  11.803
  491    HG3  GLU  68          2HG       GLU  68  -2.202   9.660  10.935
  492    H    ASP  69           H        ASP  69  -0.822   7.790   9.199
  493    HA   ASP  69           HA       ASP  69  -3.178   8.165   7.460
  494    HB2  ASP  69          1HB       ASP  69  -0.202   8.643   7.078
  495    HB3  ASP  69          2HB       ASP  69  -1.397   8.920   5.827
  496    H    ALA  70           H        ALA  70  -0.517   5.828   7.874
  497    HA   ALA  70           HA       ALA  70  -1.118   4.328   5.452
  498    HB1  ALA  70          1HB       ALA  70   1.095   4.249   6.539
  499    HB2  ALA  70          2HB       ALA  70   0.375   3.614   8.034
  500    HB3  ALA  70          3HB       ALA  70   0.370   2.632   6.570
  501    H    ASP  71           H        ASP  71  -2.019   4.005   8.916
  502    HA   ASP  71           HA       ASP  71  -3.657   1.707   8.654
  503    HB2  ASP  71          1HB       ASP  71  -2.723   3.003  10.735
  504    HB3  ASP  71          2HB       ASP  71  -4.243   3.892  10.647
  505    H    TYR  72           H        TYR  72  -4.351   5.049   7.826
  506    HA   TYR  72           HA       TYR  72  -7.222   4.618   7.473
  507    HB2  TYR  72          1HB       TYR  72  -6.114   6.834   8.062
  508    HB3  TYR  72          2HB       TYR  72  -5.563   6.907   6.382
  509    HD1  TYR  72          1HD       TYR  72  -8.465   7.055   8.666
  510    HD2  TYR  72          2HD       TYR  72  -7.225   7.129   4.541
  511    HE1  TYR  72          1HE       TYR  72 -10.761   7.749   7.983
  512    HE2  TYR  72          2HE       TYR  72  -9.503   7.814   3.850
  513    HH   TYR  72           HH       TYR  72 -11.665   8.254   4.557
  514    H    ALA  73           H        ALA  73  -4.330   4.501   5.335
  515    HA   ALA  73           HA       ALA  73  -5.845   4.302   2.867
  516    HB1  ALA  73          1HB       ALA  73  -3.452   4.959   3.073
  517    HB2  ALA  73          2HB       ALA  73  -3.047   3.297   3.548
  518    HB3  ALA  73          3HB       ALA  73  -3.723   3.624   1.934
  519    H    ILE  74           H        ILE  74  -4.736   1.943   5.271
  520    HA   ILE  74           HA       ILE  74  -5.637  -0.425   3.921
  521    HB   ILE  74           HB       ILE  74  -5.223   0.230   6.863
  522   HG12  ILE  74          1HG1      ILE  74  -3.440  -1.420   5.039
  523   HG13  ILE  74          2HG1      ILE  74  -3.267   0.338   5.133
  524   HG21  ILE  74          1HG2      ILE  74  -6.690  -1.713   6.768
  525   HG22  ILE  74          2HG2      ILE  74  -5.694  -2.459   5.506
  526   HG23  ILE  74          3HG2      ILE  74  -5.073  -2.281   7.162
  527   HD11  ILE  74          1HD1      ILE  74  -2.991  -1.519   7.512
  528   HD12  ILE  74          2HD1      ILE  74  -1.670  -0.803   6.567
  529   HD13  ILE  74          3HD1      ILE  74  -2.755   0.247   7.466
  530    H    LYS  75           H        LYS  75  -7.374   1.933   5.943
  531    HA   LYS  75           HA       LYS  75  -9.846   0.449   6.169
  532    HB2  LYS  75          1HB       LYS  75  -9.387   2.216   7.716
  533    HB3  LYS  75          2HB       LYS  75  -9.148   3.388   6.430
  534    HG2  LYS  75          1HG       LYS  75 -11.528   3.280   5.816
  535    HG3  LYS  75          2HG       LYS  75 -11.813   2.117   7.130
  536    HD2  LYS  75          1HD       LYS  75 -11.108   3.766   8.789
  537    HD3  LYS  75          2HD       LYS  75 -10.633   4.911   7.535
  538    HE2  LYS  75          1HE       LYS  75 -13.485   3.908   7.943
  539    HE3  LYS  75          2HE       LYS  75 -12.843   5.373   8.685
  540    HZ1  LYS  75          1HZ       LYS  75 -13.058   4.923   5.757
  541    HZ2  LYS  75          2HZ       LYS  75 -12.440   6.275   6.451
  542    HZ3  LYS  75          3HZ       LYS  75 -14.012   5.899   6.645
  543    H    ILE  76           H        ILE  76  -8.708   2.834   3.693
  544    HA   ILE  76           HA       ILE  76 -11.291   2.513   2.314
  545    HB   ILE  76           HB       ILE  76 -10.531   4.288   0.852
  546   HG12  ILE  76          1HG1      ILE  76  -8.152   4.772   2.674
  547   HG13  ILE  76          2HG1      ILE  76  -7.997   3.841   1.200
  548   HG21  ILE  76          1HG2      ILE  76 -10.261   4.980   3.815
  549   HG22  ILE  76          2HG2      ILE  76 -10.802   6.059   2.514
  550   HG23  ILE  76          3HG2      ILE  76 -11.806   4.680   2.977
  551   HD11  ILE  76          1HD1      ILE  76  -7.415   6.055   0.616
  552   HD12  ILE  76          2HD1      ILE  76  -9.031   5.812  -0.045
  553   HD13  ILE  76          3HD1      ILE  76  -8.817   6.738   1.465
  554    H    MET  77           H        MET  77  -7.910   1.568   1.608
  555    HA   MET  77           HA       MET  77  -8.652   0.892  -1.152
  556    HB2  MET  77          1HB       MET  77  -6.040   0.976   0.283
  557    HB3  MET  77          2HB       MET  77  -6.182   0.408  -1.370
  558    HG2  MET  77          1HG       MET  77  -7.258   3.116  -0.588
  559    HG3  MET  77          2HG       MET  77  -5.566   2.890  -0.949
  560    HE1  MET  77          1HE       MET  77  -5.398   4.405  -3.367
  561    HE2  MET  77          2HE       MET  77  -7.026   4.775  -3.978
  562    HE3  MET  77          3HE       MET  77  -6.683   4.953  -2.252
  563    H    ASP  78           H        ASP  78  -9.080  -0.863   1.517
  564    HA   ASP  78           HA       ASP  78  -8.040  -3.389   0.427
  565    HB2  ASP  78          1HB       ASP  78  -7.901  -2.942   2.856
  566    HB3  ASP  78          2HB       ASP  78  -9.666  -2.953   2.954
  567    H    MET  79           H        MET  79  -9.172  -5.043  -0.450
  568    HA   MET  79           HA       MET  79 -10.632  -6.016  -1.807
  569    HB2  MET  79          1HB       MET  79 -12.850  -4.704  -0.210
  570    HB3  MET  79          2HB       MET  79 -13.028  -6.042  -1.342
  571    HG2  MET  79          1HG       MET  79 -11.351  -6.122   1.186
  572    HG3  MET  79          2HG       MET  79 -12.976  -6.774   1.016
  573    HE1  MET  79          1HE       MET  79 -11.647  -8.831   2.203
  574    HE2  MET  79          2HE       MET  79 -10.397  -9.792   1.379
  575    HE3  MET  79          3HE       MET  79 -10.037  -8.131   1.904
  576    H    ILE  80           H        ILE  80  -9.975  -2.879  -2.163
  577    HA   ILE  80           HA       ILE  80 -11.982  -2.037  -4.049
  578    HB   ILE  80           HB       ILE  80  -9.448  -0.974  -2.959
  579   HG12  ILE  80          1HG1      ILE  80 -12.214   0.098  -3.595
  580   HG13  ILE  80          2HG1      ILE  80 -11.515  -0.282  -2.021
  581   HG21  ILE  80          1HG2      ILE  80  -9.065   0.735  -4.578
  582   HG22  ILE  80          2HG2      ILE  80  -8.818  -0.833  -5.297
  583   HG23  ILE  80          3HG2      ILE  80 -10.327   0.061  -5.661
  584   HD11  ILE  80          1HD1      ILE  80 -10.879   2.068  -3.846
  585   HD12  ILE  80          2HD1      ILE  80 -11.559   2.095  -2.211
  586   HD13  ILE  80          3HD1      ILE  80  -9.862   1.644  -2.460
  587    H    LYS  81           H        LYS  81 -11.997  -1.911  -6.218
  588    HA   LYS  81           HA       LYS  81 -10.549  -4.129  -7.553
  589    HB2  LYS  81          1HB       LYS  81 -13.091  -2.643  -8.252
  590    HB3  LYS  81          2HB       LYS  81 -12.383  -3.982  -9.187
  591    HG2  LYS  81          1HG       LYS  81 -12.547  -5.421  -7.109
  592    HG3  LYS  81          2HG       LYS  81 -13.435  -4.106  -6.328
  593    HD2  LYS  81          1HD       LYS  81 -15.131  -5.526  -7.082
  594    HD3  LYS  81          2HD       LYS  81 -15.080  -4.263  -8.322
  595    HE2  LYS  81          1HE       LYS  81 -13.532  -5.814  -9.654
  596    HE3  LYS  81          2HE       LYS  81 -13.838  -7.055  -8.441
  597    HZ1  LYS  81          1HZ       LYS  81 -16.207  -6.938  -9.001
  598    HZ2  LYS  81          2HZ       LYS  81 -15.339  -7.289 -10.336
  599    HZ3  LYS  81          3HZ       LYS  81 -15.935  -5.785 -10.125
  600    H    LEU  82           H        LEU  82  -8.660  -2.618  -7.516
  601    HA   LEU  82           HA       LEU  82  -8.451  -0.486  -9.433
  602    HB2  LEU  82          1HB       LEU  82  -6.855  -0.924  -7.548
  603    HB3  LEU  82          2HB       LEU  82  -6.281  -2.363  -8.386
  604    HG   LEU  82           HG       LEU  82  -5.365  -0.993 -10.198
  605   HD11  LEU  82          1HD1      LEU  82  -6.908   0.869 -10.363
  606   HD12  LEU  82          2HD1      LEU  82  -5.338   1.530  -9.922
  607   HD13  LEU  82          3HD1      LEU  82  -6.589   1.349  -8.681
  608   HD21  LEU  82          1HD2      LEU  82  -3.632   0.191  -8.907
  609   HD22  LEU  82          2HD2      LEU  82  -4.013  -1.364  -8.150
  610   HD23  LEU  82          3HD2      LEU  82  -4.652   0.138  -7.455
  611    H    TYR  83           H        TYR  83  -8.275  -0.561 -11.692
  612    HA   TYR  83           HA       TYR  83  -8.988  -1.516 -13.637
  613    HB2  TYR  83          1HB       TYR  83  -6.553  -3.237 -13.118
  614    HB3  TYR  83          2HB       TYR  83  -7.299  -2.960 -14.683
  615    HD1  TYR  83          1HD       TYR  83  -4.718  -1.880 -12.557
  616    HD2  TYR  83          2HD       TYR  83  -7.618  -0.406 -15.386
  617    HE1  TYR  83          1HE       TYR  83  -3.281   0.109 -13.003
  618    HE2  TYR  83          2HE       TYR  83  -6.191   1.586 -15.814
  619    HH   TYR  83           HH       TYR  83  -4.237   2.671 -15.317
  620    H    GLY  84           H        GLY  84 -10.527  -2.771 -11.472
  621    HA2  GLY  84          1HA       GLY  84 -12.341  -4.173 -11.631
  622    HA3  GLY  84          2HA       GLY  84 -11.709  -4.855 -13.121
  623    H    LYS  85           H        LYS  85  -9.526  -5.081 -10.424
  624    HA   LYS  85           HA       LYS  85 -10.209  -7.907  -9.863
  625    HB2  LYS  85          1HB       LYS  85  -7.521  -6.662 -10.517
  626    HB3  LYS  85          2HB       LYS  85  -7.686  -8.228  -9.709
  627    HG2  LYS  85          1HG       LYS  85  -8.858  -9.192 -11.584
  628    HG3  LYS  85          2HG       LYS  85  -9.014  -7.620 -12.378
  629    HD2  LYS  85          1HD       LYS  85  -6.540  -7.482 -12.592
  630    HD3  LYS  85          2HD       LYS  85  -6.396  -9.099 -11.867
  631    HE2  LYS  85          1HE       LYS  85  -7.722 -10.062 -13.713
  632    HE3  LYS  85          2HE       LYS  85  -7.987  -8.448 -14.391
  633    HZ1  LYS  85          1HZ       LYS  85  -5.339  -9.769 -14.154
  634    HZ2  LYS  85          2HZ       LYS  85  -5.588  -8.257 -14.743
  635    HZ3  LYS  85          3HZ       LYS  85  -6.178  -9.560 -15.541
  636    HA   PRO  86           HA       PRO  86 -10.304  -5.746  -5.941
  637    HB2  PRO  86          1HB       PRO  86 -11.137  -7.788  -4.300
  638    HB3  PRO  86          2HB       PRO  86 -12.191  -6.909  -5.447
  639    HG2  PRO  86          1HG       PRO  86 -10.818  -9.573  -5.848
  640    HG3  PRO  86          2HG       PRO  86 -12.514  -9.124  -6.223
  641    HD2  PRO  86          1HD       PRO  86 -10.561  -9.154  -8.130
  642    HD3  PRO  86          2HD       PRO  86 -11.839  -7.900  -8.169
  643    H    ILE  87           H        ILE  87  -8.566  -5.118  -4.861
  644    HA   ILE  87           HA       ILE  87  -6.254  -6.868  -4.472
  645    HB   ILE  87           HB       ILE  87  -5.024  -4.896  -3.919
  646   HG12  ILE  87          1HG1      ILE  87  -7.707  -3.518  -3.643
  647   HG13  ILE  87          2HG1      ILE  87  -6.395  -3.652  -2.492
  648   HG21  ILE  87          1HG2      ILE  87  -5.575  -5.444  -6.302
  649   HG22  ILE  87          2HG2      ILE  87  -6.896  -4.262  -6.243
  650   HG23  ILE  87          3HG2      ILE  87  -5.220  -3.736  -6.034
  651   HD11  ILE  87          1HD1      ILE  87  -6.432  -1.964  -5.023
  652   HD12  ILE  87          2HD1      ILE  87  -6.412  -1.394  -3.353
  653   HD13  ILE  87          3HD1      ILE  87  -4.987  -2.208  -4.017
  654    H    ARG  88           H        ARG  88  -4.978  -6.716  -2.408
  655    HA   ARG  88           HA       ARG  88  -6.680  -6.628   0.074
  656    HB2  ARG  88          1HB       ARG  88  -4.278  -8.435  -0.424
  657    HB3  ARG  88          2HB       ARG  88  -5.221  -8.340   1.062
  658    HG2  ARG  88          1HG       ARG  88  -6.229  -9.329  -1.634
  659    HG3  ARG  88          2HG       ARG  88  -5.747 -10.340  -0.279
  660    HD2  ARG  88          1HD       ARG  88  -7.575  -9.534   1.098
  661    HD3  ARG  88          2HD       ARG  88  -8.047  -8.341  -0.113
  662    HE   ARG  88           HE       ARG  88  -8.581 -11.229  -0.164
  663   HH11  ARG  88          1HH1      ARG  88  -8.598  -8.295  -2.065
  664   HH12  ARG  88          2HH1      ARG  88  -9.086  -9.123  -3.519
  665   HH21  ARG  88          1HH2      ARG  88  -9.591 -12.155  -1.940
  666   HH22  ARG  88          2HH2      ARG  88  -9.938 -11.183  -3.338
  667    H    VAL  89           H        VAL  89  -5.989  -5.267   1.634
  668    HA   VAL  89           HA       VAL  89  -3.230  -4.146   1.405
  669    HB   VAL  89           HB       VAL  89  -5.692  -2.476   1.999
  670   HG11  VAL  89          1HG1      VAL  89  -4.187  -0.576   1.647
  671   HG12  VAL  89          2HG1      VAL  89  -3.545  -1.603   2.925
  672   HG13  VAL  89          3HG1      VAL  89  -2.828  -1.674   1.313
  673   HG21  VAL  89          1HG2      VAL  89  -4.066  -2.780  -0.563
  674   HG22  VAL  89          2HG2      VAL  89  -5.792  -3.139  -0.349
  675   HG23  VAL  89          3HG2      VAL  89  -5.225  -1.472  -0.269
  676    H    ASN  90           H        ASN  90  -2.099  -3.907   3.212
  677    HA   ASN  90           HA       ASN  90  -3.255  -3.791   5.885
  678    HB2  ASN  90          1HB       ASN  90  -2.073  -5.885   6.675
  679    HB3  ASN  90          2HB       ASN  90  -3.448  -6.166   5.626
  680   HD21  ASN  90          1HD2      ASN  90   0.176  -6.153   5.658
  681   HD22  ASN  90          2HD2      ASN  90   0.257  -7.268   4.306
  682    H    LYS  91           H        LYS  91  -1.385  -3.802   7.577
  683    HA   LYS  91           HA       LYS  91   0.722  -1.944   6.880
  684    HB2  LYS  91          1HB       LYS  91   0.738  -3.965   9.154
  685    HB3  LYS  91          2HB       LYS  91   1.660  -2.472   9.073
  686    HG2  LYS  91          1HG       LYS  91  -1.368  -2.685   9.344
  687    HG3  LYS  91          2HG       LYS  91  -0.249  -2.453  10.665
  688    HD2  LYS  91          1HD       LYS  91   0.081  -0.411   8.537
  689    HD3  LYS  91          2HD       LYS  91  -1.550  -0.461   9.206
  690    HE2  LYS  91          1HE       LYS  91   0.894  -0.205  10.955
  691    HE3  LYS  91          2HE       LYS  91   0.018   1.166  10.274
  692    HZ1  LYS  91          1HZ       LYS  91  -2.030   0.274  11.372
  693    HZ2  LYS  91          2HZ       LYS  91  -0.884   0.795  12.401
  694    HZ3  LYS  91          3HZ       LYS  91  -1.103  -0.821  12.169
  695    H    ALA  92           H        ALA  92   2.946  -2.330   6.348
  696    HA   ALA  92           HA       ALA  92   3.429  -4.727   4.842
  697    HB1  ALA  92          1HB       ALA  92   5.350  -2.566   5.791
  698    HB2  ALA  92          2HB       ALA  92   5.691  -3.786   4.546
  699    HB3  ALA  92          3HB       ALA  92   4.428  -2.573   4.271
  700    H    SER  93           H        SER  93   4.271  -3.859   8.176
  701    HA   SER  93           HA       SER  93   5.665  -6.416   8.672
  702    HB2  SER  93          1HB       SER  93   6.543  -4.699   9.959
  703    HB3  SER  93          2HB       SER  93   4.955  -4.022  10.362
  704    HG   SER  93           HG       SER  93   6.095  -5.276  12.045
  705    H    ALA  94           H        ALA  94   2.716  -4.879   9.987
  706    HA   ALA  94           HA       ALA  94   0.950  -5.628  11.127
  707    HB1  ALA  94          1HB       ALA  94   0.992  -7.985   9.219
  708    HB2  ALA  94          2HB       ALA  94  -0.394  -7.388  10.152
  709    HB3  ALA  94          3HB       ALA  94   0.304  -6.378   8.874
  710    H    HIS  95           H        HIS  95   3.722  -6.647  11.981
  711    HA   HIS  95           HA       HIS  95   2.754  -8.581  14.031
  712    HB2  HIS  95          1HB       HIS  95   4.022  -9.460  11.815
  713    HB3  HIS  95          2HB       HIS  95   5.440  -9.044  12.763
  714    HD2  HIS  95          2HD       HIS  95   2.127 -11.075  13.123
  715    HE1  HIS  95          1HE       HIS  95   5.125 -13.198  15.300
  716    HE2  HIS  95          2HE       HIS  95   2.693 -13.232  14.543
  717    H    ASN  96           H        ASN  96   3.565  -5.646  14.015
  718    HA   ASN  96           HA       ASN  96   6.055  -5.353  15.383
  719    HB2  ASN  96          1HB       ASN  96   4.872  -3.611  14.040
  720    HB3  ASN  96          2HB       ASN  96   3.633  -3.501  15.292
  721   HD21  ASN  96          1HD2      ASN  96   4.627  -1.163  14.810
  722   HD22  ASN  96          2HD2      ASN  96   5.881  -0.703  15.949
  723    H    LYS  97           H        LYS  97   6.613  -5.358  17.478
  724    HA   LYS  97           HA       LYS  97   4.670  -6.315  19.520
  725    HB2  LYS  97          1HB       LYS  97   7.709  -6.196  19.524
  726    HB3  LYS  97          2HB       LYS  97   6.709  -6.861  20.821
  727    HG2  LYS  97          1HG       LYS  97   5.745  -8.517  19.215
  728    HG3  LYS  97          2HG       LYS  97   6.858  -7.941  17.969
  729    HD2  LYS  97          1HD       LYS  97   7.677  -9.164  20.640
  730    HD3  LYS  97          2HD       LYS  97   7.635 -10.010  19.086
  731    HE2  LYS  97          1HE       LYS  97   9.309  -8.406  18.170
  732    HE3  LYS  97          2HE       LYS  97   9.387  -7.596  19.740
  733    HZ1  LYS  97          1HZ       LYS  97  11.174  -9.216  19.497
  734    HZ2  LYS  97          2HZ       LYS  97  10.120 -10.434  19.253
  735    HZ3  LYS  97          3HZ       LYS  97  10.186  -9.688  20.705
  736    H    ASN  98           H        ASN  98   5.880  -3.313  18.606
  737    HA   ASN  98           HA       ASN  98   6.420  -2.072  21.105
  738    HB2  ASN  98          1HB       ASN  98   7.056  -1.177  18.879
  739    HB3  ASN  98          2HB       ASN  98   5.352  -0.888  18.505
  740   HD21  ASN  98          1HD2      ASN  98   7.950   0.026  20.831
  741   HD22  ASN  98          2HD2      ASN  98   7.275   1.618  21.139
  742    H    LEU  99           H        LEU  99   5.210  -0.691  22.420
  743    HA   LEU  99           HA       LEU  99   3.531  -0.245  23.819
  744    HB2  LEU  99          1HB       LEU  99   3.122   1.230  21.808
  745    HB3  LEU  99          2HB       LEU  99   1.853   0.114  21.322
  746    HG   LEU  99           HG       LEU  99   0.629   0.628  23.467
  747   HD11  LEU  99          1HD1      LEU  99   2.479   1.316  24.928
  748   HD12  LEU  99          2HD1      LEU  99   1.324   2.630  24.753
  749   HD13  LEU  99          3HD1      LEU  99   2.852   2.682  23.848
  750   HD21  LEU  99          1HD2      LEU  99  -0.066   2.881  22.814
  751   HD22  LEU  99          2HD2      LEU  99   0.148   1.858  21.385
  752   HD23  LEU  99          3HD2      LEU  99   1.389   3.060  21.805
  753    H    SER 100           H        SER 100   3.919  -2.861  23.875
  754    HA   SER 100           HA       SER 100   1.486  -4.431  23.681
  755    HB2  SER 100          1HB       SER 100   2.793  -6.078  25.012
  756    HB3  SER 100          2HB       SER 100   3.626  -5.520  23.552
  757    HG   SER 100           HG       SER 100   5.013  -5.537  25.390
  758    H    GLY 101           H        GLY 101   3.056  -2.585  26.276
  759    HA2  GLY 101          1HA       GLY 101   0.863  -3.104  28.201
  760    HA3  GLY 101          2HA       GLY 101   2.327  -2.171  28.501
  761    HA   PRO 102           HA       PRO 102  -1.433   0.612  27.628
  762    HB2  PRO 102          1HB       PRO 102  -0.806   1.544  30.424
  763    HB3  PRO 102          2HB       PRO 102  -2.398   1.352  29.627
  764    HG2  PRO 102          1HG       PRO 102  -1.538  -0.491  31.416
  765    HG3  PRO 102          2HG       PRO 102  -2.323  -1.026  29.891
  766    HD2  PRO 102          1HD       PRO 102   0.646  -0.851  30.511
  767    HD3  PRO 102          2HD       PRO 102  -0.279  -2.199  29.780
  768    H    SER 103           H        SER 103  -1.311   2.799  27.018
  769    HA   SER 103           HA       SER 103   1.277   4.032  26.678
  770    HB2  SER 103          1HB       SER 103  -0.062   5.937  25.801
  771    HB3  SER 103          2HB       SER 103  -0.478   4.382  25.059
  772    HG   SER 103           HG       SER 103  -2.344   5.598  25.662
  773    H    SER 104           H        SER 104  -1.018   4.137  29.276
  774    HA   SER 104           HA       SER 104   0.077   6.539  30.555
  775    HB2  SER 104          1HB       SER 104  -1.551   5.939  32.339
  776    HB3  SER 104          2HB       SER 104  -2.283   6.110  30.736
  777    HG   SER 104           HG       SER 104  -3.005   4.217  31.846
  778    H    GLY 105           H        GLY 105   1.251   3.412  30.298
  779    HA2  GLY 105          1HA       GLY 105   2.047   2.728  32.966
  780    HA3  GLY 105          2HA       GLY 105   2.730   2.094  31.468
  Start of MODEL   14
    1    H1   GLY   1          1H        GLY   1  23.097  -0.244  29.279
    2    H2   GLY   1          2H        GLY   1  24.070  -1.132  28.303
    3    H3   GLY   1          3H        GLY   1  22.443  -1.228  28.140
    4    HA2  GLY   1          1HA       GLY   1  22.320   1.074  27.425
    5    HA3  GLY   1          2HA       GLY   1  24.084   1.165  27.594
    6    H    SER   2           H        SER   2  21.925   1.149  25.274
    7    HA   SER   2           HA       SER   2  21.609   0.342  23.181
    8    HB2  SER   2          1HB       SER   2  24.631   0.084  23.172
    9    HB3  SER   2          2HB       SER   2  23.574   0.164  21.750
   10    HG   SER   2           HG       SER   2  24.469   2.215  22.295
   11    H    SER   3           H        SER   3  21.098  -1.577  25.073
   12    HA   SER   3           HA       SER   3  21.727  -4.166  23.750
   13    HB2  SER   3          1HB       SER   3  22.188  -5.135  25.987
   14    HB3  SER   3          2HB       SER   3  23.377  -3.921  25.500
   15    HG   SER   3           HG       SER   3  22.531  -3.798  27.726
   16    H    GLY   4           H        GLY   4  20.346  -5.959  24.554
   17    HA2  GLY   4          1HA       GLY   4  18.290  -6.908  24.937
   18    HA3  GLY   4          2HA       GLY   4  18.017  -5.625  26.120
   19    H    SER   5           H        SER   5  18.478  -4.939  22.693
   20    HA   SER   5           HA       SER   5  17.313  -3.681  21.244
   21    HB2  SER   5          1HB       SER   5  14.895  -5.256  22.163
   22    HB3  SER   5          2HB       SER   5  15.044  -4.328  20.660
   23    HG   SER   5           HG       SER   5  15.488  -6.568  20.359
   24    H    SER   6           H        SER   6  17.527  -2.630  24.055
   25    HA   SER   6           HA       SER   6  15.256  -0.790  24.315
   26    HB2  SER   6          1HB       SER   6  16.553  -1.776  26.245
   27    HB3  SER   6          2HB       SER   6  17.909  -0.728  25.784
   28    HG   SER   6           HG       SER   6  16.504   0.203  27.388
   29    H    GLY   7           H        GLY   7  15.648   1.579  24.454
   30    HA2  GLY   7          1HA       GLY   7  16.371   3.608  23.579
   31    HA3  GLY   7          2HA       GLY   7  17.794   2.813  22.940
   32    HA   PRO   8           HA       PRO   8  15.481   4.014  19.215
   33    HB2  PRO   8          1HB       PRO   8  17.364   3.527  17.293
   34    HB3  PRO   8          2HB       PRO   8  17.460   4.903  18.435
   35    HG2  PRO   8          1HG       PRO   8  18.810   2.192  18.675
   36    HG3  PRO   8          2HG       PRO   8  19.557   3.815  18.837
   37    HD2  PRO   8          1HD       PRO   8  18.764   2.385  21.006
   38    HD3  PRO   8          2HD       PRO   8  18.557   4.163  20.954
   39    H    ILE   9           H        ILE   9  14.558   3.095  17.335
   40    HA   ILE   9           HA       ILE   9  13.750   0.352  17.601
   41    HB   ILE   9           HB       ILE   9  12.368   0.662  15.728
   42   HG12  ILE   9          1HG1      ILE   9  13.780   1.998  14.244
   43   HG13  ILE   9          2HG1      ILE   9  12.139   2.571  14.430
   44   HG21  ILE   9          1HG2      ILE   9  12.230   3.040  17.619
   45   HG22  ILE   9          2HG2      ILE   9  10.915   2.420  16.604
   46   HG23  ILE   9          3HG2      ILE   9  11.585   1.414  17.897
   47   HD11  ILE   9          1HD1      ILE   9  12.962   4.428  15.903
   48   HD12  ILE   9          2HD1      ILE   9  14.630   3.869  15.600
   49   HD13  ILE   9          3HD1      ILE   9  13.636   4.457  14.268
   50    H    SER  10           H        SER  10  13.878  -1.359  16.103
   51    HA   SER  10           HA       SER  10  16.552  -1.658  14.927
   52    HB2  SER  10          1HB       SER  10  15.930  -4.060  14.886
   53    HB3  SER  10          2HB       SER  10  15.801  -3.318  16.489
   54    HG   SER  10           HG       SER  10  13.966  -4.619  15.963
   55    H    GLU  11           H        GLU  11  13.642  -0.673  13.604
   56    HA   GLU  11           HA       GLU  11  14.430  -1.528  10.870
   57    HB2  GLU  11          1HB       GLU  11  12.786  -3.163  11.512
   58    HB3  GLU  11          2HB       GLU  11  11.741  -1.933  12.207
   59    HG2  GLU  11          1HG       GLU  11  10.753  -2.709  10.204
   60    HG3  GLU  11          2HG       GLU  11  11.234  -1.043   9.964
   61    H    ARG  12           H        ARG  12  13.779  -0.168   9.218
   62    HA   ARG  12           HA       ARG  12  13.399   2.682   9.949
   63    HB2  ARG  12          1HB       ARG  12  13.762   1.346   7.232
   64    HB3  ARG  12          2HB       ARG  12  13.767   3.080   7.544
   65    HG2  ARG  12          1HG       ARG  12  15.823   1.055   8.535
   66    HG3  ARG  12          2HG       ARG  12  16.031   2.230   7.239
   67    HD2  ARG  12          1HD       ARG  12  15.721   4.086   8.914
   68    HD3  ARG  12          2HD       ARG  12  15.604   2.872  10.188
   69    HE   ARG  12           HE       ARG  12  17.882   2.459  10.086
   70   HH11  ARG  12          1HH1      ARG  12  17.107   4.599   7.415
   71   HH12  ARG  12          2HH1      ARG  12  18.784   4.946   7.096
   72   HH21  ARG  12          1HH2      ARG  12  19.990   2.948   9.618
   73   HH22  ARG  12          2HH2      ARG  12  20.366   4.033   8.312
   74    H    ASN  13           H        ASN  13  11.390   2.605  10.843
   75    HA   ASN  13           HA       ASN  13   9.164   2.644  11.062
   76    HB2  ASN  13          1HB       ASN  13   9.414   3.702   8.251
   77    HB3  ASN  13          2HB       ASN  13   7.821   3.369   8.918
   78   HD21  ASN  13          1HD2      ASN  13   7.259   4.315  11.019
   79   HD22  ASN  13          2HD2      ASN  13   7.911   5.925  11.379
   80    H    GLN  14           H        GLN  14   8.670   1.392   7.798
   81    HA   GLN  14           HA       GLN  14   7.462  -0.324   7.041
   82    HB2  GLN  14          1HB       GLN  14   9.507  -1.457   8.324
   83    HB3  GLN  14          2HB       GLN  14   8.215  -2.130   9.309
   84    HG2  GLN  14          1HG       GLN  14   8.719  -3.718   7.607
   85    HG3  GLN  14          2HG       GLN  14   7.181  -3.002   7.132
   86   HE21  GLN  14          1HE2      GLN  14  10.590  -2.274   4.906
   87   HE22  GLN  14          2HE2      GLN  14  10.747  -2.863   6.567
   88    H    ASP  15           H        ASP  15   6.562   1.050   9.930
   89    HA   ASP  15           HA       ASP  15   3.973  -0.320  10.218
   90    HB2  ASP  15          1HB       ASP  15   3.725   1.109  12.147
   91    HB3  ASP  15          2HB       ASP  15   5.272   0.276  12.210
   92    H    ALA  16           H        ALA  16   5.267   2.896   9.316
   93    HA   ALA  16           HA       ALA  16   2.705   3.818   8.259
   94    HB1  ALA  16          1HB       ALA  16   3.945   5.804   7.642
   95    HB2  ALA  16          2HB       ALA  16   4.382   5.329   9.292
   96    HB3  ALA  16          3HB       ALA  16   5.495   4.986   7.945
   97    H    THR  17           H        THR  17   4.850   1.547   7.071
   98    HA   THR  17           HA       THR  17   4.217   2.097   4.221
   99    HB   THR  17           HB       THR  17   5.816  -0.248   5.250
  100    HG1  THR  17          1HG       THR  17   7.627   1.032   4.693
  101   HG21  THR  17          1HG2      THR  17   5.034  -0.386   2.887
  102   HG22  THR  17          2HG2      THR  17   6.788  -0.186   2.962
  103   HG23  THR  17          3HG2      THR  17   5.763   1.200   2.551
  104    H    VAL  18           H        VAL  18   2.638   1.050   3.170
  105    HA   VAL  18           HA       VAL  18   1.208  -1.189   4.542
  106    HB   VAL  18           HB       VAL  18  -0.739  -0.731   3.239
  107   HG11  VAL  18          1HG1      VAL  18   0.272   1.878   4.432
  108   HG12  VAL  18          2HG1      VAL  18  -1.415   1.387   4.213
  109   HG13  VAL  18          3HG1      VAL  18  -0.385   0.518   5.369
  110   HG21  VAL  18          1HG2      VAL  18   0.246   0.174   1.148
  111   HG22  VAL  18          2HG2      VAL  18  -1.008   1.228   1.812
  112   HG23  VAL  18          3HG2      VAL  18   0.697   1.652   2.033
  113    H    TYR  19           H        TYR  19   0.691  -3.009   3.435
  114    HA   TYR  19           HA       TYR  19   2.248  -3.697   0.979
  115    HB2  TYR  19          1HB       TYR  19   2.661  -5.268   2.716
  116    HB3  TYR  19          2HB       TYR  19   0.983  -5.276   3.235
  117    HD1  TYR  19          1HD       TYR  19   3.310  -6.484   0.586
  118    HD2  TYR  19          2HD       TYR  19  -0.680  -6.677   2.215
  119    HE1  TYR  19          1HE       TYR  19   2.838  -8.513  -0.786
  120    HE2  TYR  19          2HE       TYR  19  -1.157  -8.679   0.818
  121    HH   TYR  19           HH       TYR  19  -0.313 -10.204  -0.680
  122    H    VAL  20           H        VAL  20   1.189  -4.265  -0.862
  123    HA   VAL  20           HA       VAL  20  -1.808  -4.358  -0.938
  124    HB   VAL  20           HB       VAL  20  -0.068  -2.958  -3.003
  125   HG11  VAL  20          1HG1      VAL  20  -2.283  -2.201  -3.828
  126   HG12  VAL  20          2HG1      VAL  20  -2.152  -3.973  -3.863
  127   HG13  VAL  20          3HG1      VAL  20  -3.086  -3.181  -2.587
  128   HG21  VAL  20          1HG2      VAL  20  -0.067  -1.565  -0.985
  129   HG22  VAL  20          2HG2      VAL  20  -1.083  -0.855  -2.234
  130   HG23  VAL  20          3HG2      VAL  20  -1.834  -1.704  -0.862
  131    H    GLY  21           H        GLY  21  -2.197  -6.438  -1.418
  132    HA2  GLY  21          1HA       GLY  21  -0.526  -7.867  -3.455
  133    HA3  GLY  21          2HA       GLY  21  -1.559  -8.627  -2.256
  134    H    GLY  22           H        GLY  22  -1.456  -8.829  -5.221
  135    HA2  GLY  22          1HA       GLY  22  -3.203  -9.774  -6.517
  136    HA3  GLY  22          2HA       GLY  22  -4.410  -8.885  -5.587
  137    H    LEU  23           H        LEU  23  -1.500  -7.602  -7.214
  138    HA   LEU  23           HA       LEU  23  -3.081  -5.414  -8.353
  139    HB2  LEU  23          1HB       LEU  23  -0.095  -6.022  -8.278
  140    HB3  LEU  23          2HB       LEU  23  -0.791  -4.566  -8.984
  141    HG   LEU  23           HG       LEU  23  -0.991  -5.389  -6.047
  142   HD11  LEU  23          1HD1      LEU  23   1.254  -4.629  -6.802
  143   HD12  LEU  23          2HD1      LEU  23   0.501  -3.551  -5.614
  144   HD13  LEU  23          3HD1      LEU  23   0.528  -3.097  -7.328
  145   HD21  LEU  23          1HD2      LEU  23  -2.927  -4.140  -6.404
  146   HD22  LEU  23          2HD2      LEU  23  -2.185  -3.095  -7.632
  147   HD23  LEU  23          3HD2      LEU  23  -1.773  -2.883  -5.932
  148    H    ASP  24           H        ASP  24  -3.280  -4.892 -10.479
  149    HA   ASP  24           HA       ASP  24  -3.136  -7.105 -12.375
  150    HB2  ASP  24          1HB       ASP  24  -5.123  -5.629 -12.227
  151    HB3  ASP  24          2HB       ASP  24  -4.131  -4.236 -12.650
  152    H    GLU  25           H        GLU  25  -2.111  -6.909 -14.531
  153    HA   GLU  25           HA       GLU  25   0.603  -6.096 -14.427
  154    HB2  GLU  25          1HB       GLU  25   0.692  -6.694 -16.767
  155    HB3  GLU  25          2HB       GLU  25  -0.233  -7.884 -15.855
  156    HG2  GLU  25          1HG       GLU  25  -2.356  -6.861 -16.682
  157    HG3  GLU  25          2HG       GLU  25  -1.420  -5.678 -17.600
  158    H    LYS  26           H        LYS  26  -2.183  -4.133 -15.244
  159    HA   LYS  26           HA       LYS  26  -0.608  -2.009 -16.539
  160    HB2  LYS  26          1HB       LYS  26  -3.494  -2.153 -15.595
  161    HB3  LYS  26          2HB       LYS  26  -2.791  -0.786 -16.469
  162    HG2  LYS  26          1HG       LYS  26  -2.224  -2.250 -18.374
  163    HG3  LYS  26          2HG       LYS  26  -2.936  -3.638 -17.557
  164    HD2  LYS  26          1HD       LYS  26  -4.408  -1.114 -18.413
  165    HD3  LYS  26          2HD       LYS  26  -4.437  -2.657 -19.260
  166    HE2  LYS  26          1HE       LYS  26  -5.536  -2.116 -16.469
  167    HE3  LYS  26          2HE       LYS  26  -6.482  -2.292 -17.949
  168    HZ1  LYS  26          1HZ       LYS  26  -4.895  -4.397 -16.584
  169    HZ2  LYS  26          2HZ       LYS  26  -5.527  -4.601 -18.096
  170    HZ3  LYS  26          3HZ       LYS  26  -6.506  -4.375 -16.807
  171    H    VAL  27           H        VAL  27  -0.923  -2.880 -13.297
  172    HA   VAL  27           HA       VAL  27  -0.884  -0.183 -12.141
  173    HB   VAL  27           HB       VAL  27  -0.308  -2.882 -10.864
  174   HG11  VAL  27          1HG1      VAL  27   0.630  -1.010  -9.531
  175   HG12  VAL  27          2HG1      VAL  27  -0.952  -0.219  -9.537
  176   HG13  VAL  27          3HG1      VAL  27  -0.737  -1.778  -8.741
  177   HG21  VAL  27          1HG2      VAL  27  -2.848  -1.183 -10.900
  178   HG22  VAL  27          2HG2      VAL  27  -2.629  -2.760 -11.685
  179   HG23  VAL  27          3HG2      VAL  27  -2.613  -2.648  -9.926
  180    H    SER  28           H        SER  28   0.871   0.995 -11.451
  181    HA   SER  28           HA       SER  28   3.530  -0.292 -11.271
  182    HB2  SER  28          1HB       SER  28   3.297   0.621 -13.609
  183    HB3  SER  28          2HB       SER  28   3.160   2.243 -12.904
  184    HG   SER  28           HG       SER  28   5.335   1.602 -13.524
  185    H    GLU  29           H        GLU  29   5.162   1.295 -10.300
  186    HA   GLU  29           HA       GLU  29   4.225   2.147  -7.750
  187    HB2  GLU  29          1HB       GLU  29   6.769   2.561  -9.345
  188    HB3  GLU  29          2HB       GLU  29   6.565   3.422  -7.827
  189    HG2  GLU  29          1HG       GLU  29   6.589   1.471  -6.544
  190    HG3  GLU  29          2HG       GLU  29   6.021   0.478  -7.863
  191    HA   PRO  30           HA       PRO  30   4.190   6.723  -9.262
  192    HB2  PRO  30          1HB       PRO  30   3.483   6.341 -12.168
  193    HB3  PRO  30          2HB       PRO  30   4.433   7.649 -11.397
  194    HG2  PRO  30          1HG       PRO  30   5.701   5.679 -12.745
  195    HG3  PRO  30          2HG       PRO  30   6.339   6.210 -11.151
  196    HD2  PRO  30          1HD       PRO  30   4.546   3.839 -11.756
  197    HD3  PRO  30          2HD       PRO  30   6.059   3.889 -10.808
  198    H    LEU  31           H        LEU  31   2.073   4.208 -10.639
  199    HA   LEU  31           HA       LEU  31  -0.376   5.781 -10.502
  200    HB2  LEU  31          1HB       LEU  31  -0.149   3.730 -11.949
  201    HB3  LEU  31          2HB       LEU  31   0.004   2.757 -10.490
  202    HG   LEU  31           HG       LEU  31  -2.319   3.641  -9.765
  203   HD11  LEU  31          1HD1      LEU  31  -2.435   5.536 -11.335
  204   HD12  LEU  31          2HD1      LEU  31  -3.740   4.379 -11.643
  205   HD13  LEU  31          3HD1      LEU  31  -2.313   4.406 -12.710
  206   HD21  LEU  31          1HD2      LEU  31  -1.946   1.926 -12.249
  207   HD22  LEU  31          2HD2      LEU  31  -3.447   2.030 -11.299
  208   HD23  LEU  31          3HD2      LEU  31  -1.981   1.388 -10.549
  209    H    LEU  32           H        LEU  32   1.094   3.201  -8.461
  210    HA   LEU  32           HA       LEU  32  -0.859   3.231  -6.425
  211    HB2  LEU  32          1HB       LEU  32   2.147   2.728  -6.120
  212    HB3  LEU  32          2HB       LEU  32   0.910   2.334  -4.929
  213    HG   LEU  32           HG       LEU  32   1.306   1.065  -7.644
  214   HD11  LEU  32          1HD1      LEU  32   2.767   0.288  -5.791
  215   HD12  LEU  32          2HD1      LEU  32   1.640  -0.966  -6.344
  216   HD13  LEU  32          3HD1      LEU  32   1.310  -0.087  -4.831
  217   HD21  LEU  32          1HD2      LEU  32  -0.605  -0.449  -6.882
  218   HD22  LEU  32          2HD2      LEU  32  -1.079   1.189  -7.363
  219   HD23  LEU  32          3HD2      LEU  32  -0.959   0.760  -5.635
  220    H    TRP  33           H        TRP  33   2.076   5.237  -6.679
  221    HA   TRP  33           HA       TRP  33   1.866   6.568  -4.206
  222    HB2  TRP  33          1HB       TRP  33   3.713   6.554  -5.980
  223    HB3  TRP  33          2HB       TRP  33   2.833   7.805  -6.821
  224    HD1  TRP  33           HD       TRP  33   2.141   9.656  -4.244
  225    HE1  TRP  33          1HE       TRP  33   4.050  10.903  -3.043
  226    HE3  TRP  33          3HE       TRP  33   6.050   6.869  -5.914
  227    HZ2  TRP  33          2HZ       TRP  33   6.940  10.743  -2.899
  228    HZ3  TRP  33          3HZ       TRP  33   8.404   7.424  -5.239
  229    HH2  TRP  33           HH       TRP  33   8.842   9.358  -3.738
  230    H    GLU  34           H        GLU  34   0.771   7.860  -7.368
  231    HA   GLU  34           HA       GLU  34  -0.661  10.061  -6.243
  232    HB2  GLU  34          1HB       GLU  34  -0.893   8.699  -8.961
  233    HB3  GLU  34          2HB       GLU  34  -1.699  10.216  -8.525
  234    HG2  GLU  34          1HG       GLU  34   0.576  11.137  -7.896
  235    HG3  GLU  34          2HG       GLU  34   1.303   9.722  -8.647
  236    H    LEU  35           H        LEU  35  -1.769   6.782  -6.930
  237    HA   LEU  35           HA       LEU  35  -4.583   7.320  -6.569
  238    HB2  LEU  35          1HB       LEU  35  -3.392   5.287  -7.705
  239    HB3  LEU  35          2HB       LEU  35  -3.207   4.673  -6.056
  240    HG   LEU  35           HG       LEU  35  -5.782   4.996  -5.915
  241   HD11  LEU  35          1HD1      LEU  35  -6.978   4.772  -8.040
  242   HD12  LEU  35          2HD1      LEU  35  -5.447   4.912  -8.931
  243   HD13  LEU  35          3HD1      LEU  35  -6.067   6.289  -7.994
  244   HD21  LEU  35          1HD2      LEU  35  -6.160   2.771  -6.870
  245   HD22  LEU  35          2HD2      LEU  35  -4.674   2.819  -5.916
  246   HD23  LEU  35          3HD2      LEU  35  -4.582   2.852  -7.695
  247    H    PHE  36           H        PHE  36  -1.965   6.443  -4.298
  248    HA   PHE  36           HA       PHE  36  -3.848   6.059  -2.062
  249    HB2  PHE  36          1HB       PHE  36  -0.913   5.585  -2.511
  250    HB3  PHE  36          2HB       PHE  36  -1.521   5.696  -0.905
  251    HD1  PHE  36          1HD       PHE  36  -2.096   3.710   0.181
  252    HD2  PHE  36          2HD       PHE  36  -2.448   3.883  -4.102
  253    HE1  PHE  36          1HE       PHE  36  -2.800   1.332   0.139
  254    HE2  PHE  36          2HE       PHE  36  -3.067   1.488  -4.153
  255    HZ   PHE  36           HZ       PHE  36  -3.303   0.220  -2.027
  256    H    LEU  37           H        LEU  37  -2.060   8.739  -3.322
  257    HA   LEU  37           HA       LEU  37  -1.786  10.402  -1.081
  258    HB2  LEU  37          1HB       LEU  37  -2.670  10.942  -3.933
  259    HB3  LEU  37          2HB       LEU  37  -2.496  12.249  -2.762
  260    HG   LEU  37           HG       LEU  37  -0.255  10.456  -3.732
  261   HD11  LEU  37          1HD1      LEU  37   0.586  12.481  -4.780
  262   HD12  LEU  37          2HD1      LEU  37  -0.772  13.422  -4.123
  263   HD13  LEU  37          3HD1      LEU  37  -1.065  12.170  -5.345
  264   HD21  LEU  37          1HD2      LEU  37   0.176  11.052  -1.424
  265   HD22  LEU  37          2HD2      LEU  37  -0.228  12.752  -1.746
  266   HD23  LEU  37          3HD2      LEU  37   1.220  12.011  -2.479
  267    H    GLN  38           H        GLN  38  -4.753   9.255  -2.412
  268    HA   GLN  38           HA       GLN  38  -6.612  11.168  -1.363
  269    HB2  GLN  38          1HB       GLN  38  -7.026   8.173  -1.784
  270    HB3  GLN  38          2HB       GLN  38  -8.285   9.413  -1.669
  271    HG2  GLN  38          1HG       GLN  38  -7.344  10.497  -3.739
  272    HG3  GLN  38          2HG       GLN  38  -6.172   9.166  -3.824
  273   HE21  GLN  38          1HE2      GLN  38  -6.871   7.088  -4.494
  274   HE22  GLN  38          2HE2      GLN  38  -8.483   6.836  -5.188
  275    H    ALA  39           H        ALA  39  -4.966   8.419   0.137
  276    HA   ALA  39           HA       ALA  39  -6.587   8.489   2.585
  277    HB1  ALA  39          1HB       ALA  39  -3.982   7.070   1.893
  278    HB2  ALA  39          2HB       ALA  39  -4.946   6.801   3.355
  279    HB3  ALA  39          3HB       ALA  39  -5.607   6.384   1.759
  280    H    GLY  40           H        GLY  40  -3.268   9.464   1.666
  281    HA2  GLY  40          1HA       GLY  40  -3.179  11.781   3.326
  282    HA3  GLY  40          2HA       GLY  40  -2.395  10.437   4.163
  283    HA   PRO  41           HA       PRO  41   0.621  12.604   1.276
  284    HB2  PRO  41          1HB       PRO  41   2.605  13.131   3.108
  285    HB3  PRO  41          2HB       PRO  41   1.204  14.203   2.810
  286    HG2  PRO  41          1HG       PRO  41   1.501  12.102   4.977
  287    HG3  PRO  41          2HG       PRO  41   0.983  13.806   5.161
  288    HD2  PRO  41          1HD       PRO  41  -0.792  11.756   4.997
  289    HD3  PRO  41          2HD       PRO  41  -1.155  13.305   4.184
  290    H    VAL  42           H        VAL  42   1.385  11.044   0.049
  291    HA   VAL  42           HA       VAL  42   2.787   8.672   1.113
  292    HB   VAL  42           HB       VAL  42   2.100   9.435  -1.741
  293   HG11  VAL  42          1HG1      VAL  42   2.676   7.050  -2.229
  294   HG12  VAL  42          2HG1      VAL  42   4.080   7.973  -1.717
  295   HG13  VAL  42          3HG1      VAL  42   3.283   6.873  -0.573
  296   HG21  VAL  42          1HG2      VAL  42   0.865   7.349   0.103
  297   HG22  VAL  42          2HG2      VAL  42   0.092   8.867  -0.400
  298   HG23  VAL  42          3HG2      VAL  42   0.445   7.626  -1.602
  299    H    VAL  43           H        VAL  43   4.854   8.418   1.152
  300    HA   VAL  43           HA       VAL  43   6.671  10.667   0.437
  301    HB   VAL  43           HB       VAL  43   7.186   8.330   2.315
  302   HG11  VAL  43          1HG1      VAL  43   9.198   9.618   1.724
  303   HG12  VAL  43          2HG1      VAL  43   8.375  11.134   2.178
  304   HG13  VAL  43          3HG1      VAL  43   8.748   9.915   3.409
  305   HG21  VAL  43          1HG2      VAL  43   6.568   9.796   4.184
  306   HG22  VAL  43          2HG2      VAL  43   5.979  11.032   3.040
  307   HG23  VAL  43          3HG2      VAL  43   5.186   9.443   3.155
  308    H    ASN  44           H        ASN  44   6.187   7.202  -0.042
  309    HA   ASN  44           HA       ASN  44   8.116   7.003  -2.215
  310    HB2  ASN  44          1HB       ASN  44   9.669   6.930  -0.359
  311    HB3  ASN  44          2HB       ASN  44   8.659   5.830   0.543
  312   HD21  ASN  44          1HD2      ASN  44   9.722   3.919   0.707
  313   HD22  ASN  44          2HD2      ASN  44  10.489   3.105  -0.667
  314    H    THR  45           H        THR  45   8.175   4.704  -3.049
  315    HA   THR  45           HA       THR  45   5.911   2.938  -2.346
  316    HB   THR  45           HB       THR  45   5.545   2.551  -4.866
  317    HG1  THR  45          1HG       THR  45   6.694   5.126  -4.904
  318   HG21  THR  45          1HG2      THR  45   3.838   3.595  -3.442
  319   HG22  THR  45          2HG2      THR  45   3.837   4.162  -5.111
  320   HG23  THR  45          3HG2      THR  45   4.516   5.196  -3.819
  321    H    HIS  46           H        HIS  46   6.188   0.734  -3.227
  322    HA   HIS  46           HA       HIS  46   8.785   0.145  -4.502
  323    HB2  HIS  46          1HB       HIS  46   9.125  -0.107  -1.994
  324    HB3  HIS  46          2HB       HIS  46   7.874  -1.325  -2.007
  325    HD2  HIS  46          2HD       HIS  46   9.471  -3.291  -1.247
  326    HE1  HIS  46          1HE       HIS  46  11.941  -3.414  -4.725
  327    HE2  HIS  46          2HE       HIS  46  11.348  -4.604  -2.552
  328    H    MET  47           H        MET  47   8.712  -1.593  -5.850
  329    HA   MET  47           HA       MET  47   6.441  -3.502  -5.800
  330    HB2  MET  47          1HB       MET  47   7.104  -1.706  -8.134
  331    HB3  MET  47          2HB       MET  47   6.477  -3.321  -8.417
  332    HG2  MET  47          1HG       MET  47   4.998  -1.461  -6.550
  333    HG3  MET  47          2HG       MET  47   4.833  -1.327  -8.288
  334    HE1  MET  47          1HE       MET  47   2.069  -3.482  -9.097
  335    HE2  MET  47          2HE       MET  47   2.463  -1.797  -8.663
  336    HE3  MET  47          3HE       MET  47   3.509  -2.694  -9.789
  337    HA   PRO  48           HA       PRO  48  10.386  -5.800  -6.280
  338    HB2  PRO  48          1HB       PRO  48   8.341  -7.950  -5.673
  339    HB3  PRO  48          2HB       PRO  48  10.048  -7.830  -5.127
  340    HG2  PRO  48          1HG       PRO  48   8.075  -7.114  -3.444
  341    HG3  PRO  48          2HG       PRO  48   9.498  -6.043  -3.612
  342    HD2  PRO  48          1HD       PRO  48   6.785  -5.780  -4.944
  343    HD3  PRO  48          2HD       PRO  48   7.747  -4.514  -4.115
  344    H    LYS  49           H        LYS  49  11.146  -6.723  -8.149
  345    HA   LYS  49           HA       LYS  49   9.203  -7.079 -10.391
  346    HB2  LYS  49          1HB       LYS  49  12.125  -6.290 -10.572
  347    HB3  LYS  49          2HB       LYS  49  10.972  -6.380 -11.894
  348    HG2  LYS  49          1HG       LYS  49  11.001  -4.364  -9.627
  349    HG3  LYS  49          2HG       LYS  49  11.379  -4.087 -11.327
  350    HD2  LYS  49          1HD       LYS  49   8.966  -4.750 -11.865
  351    HD3  LYS  49          2HD       LYS  49   8.648  -4.696 -10.129
  352    HE2  LYS  49          1HE       LYS  49   9.496  -2.402 -11.950
  353    HE3  LYS  49          2HE       LYS  49   7.954  -2.610 -11.120
  354    HZ1  LYS  49          1HZ       LYS  49   9.352  -2.513  -8.998
  355    HZ2  LYS  49          2HZ       LYS  49   9.135  -1.091  -9.785
  356    HZ3  LYS  49          3HZ       LYS  49  10.556  -1.903  -9.916
  357    H    ASP  50           H        ASP  50   9.360  -8.643 -11.851
  358    HA   ASP  50           HA       ASP  50  10.564 -11.196 -11.211
  359    HB2  ASP  50          1HB       ASP  50   8.436 -10.975 -12.429
  360    HB3  ASP  50          2HB       ASP  50   9.239 -10.084 -13.717
  361    H    ARG  51           H        ARG  51  12.303 -12.245 -12.191
  362    HA   ARG  51           HA       ARG  51  14.413 -10.465 -13.197
  363    HB2  ARG  51          1HB       ARG  51  15.959 -12.158 -12.587
  364    HB3  ARG  51          2HB       ARG  51  14.812 -11.902 -11.276
  365    HG2  ARG  51          1HG       ARG  51  13.576 -13.970 -11.967
  366    HG3  ARG  51          2HG       ARG  51  14.729 -14.199 -13.291
  367    HD2  ARG  51          1HD       ARG  51  15.383 -15.643 -11.501
  368    HD3  ARG  51          2HD       ARG  51  16.584 -14.371 -11.655
  369    HE   ARG  51           HE       ARG  51  16.011 -13.528  -9.561
  370   HH11  ARG  51          1HH1      ARG  51  13.638 -15.985 -10.363
  371   HH12  ARG  51          2HH1      ARG  51  12.986 -16.004  -8.747
  372   HH21  ARG  51          1HH2      ARG  51  15.128 -13.606  -7.532
  373   HH22  ARG  51          2HH2      ARG  51  13.815 -14.693  -7.192
  374    H    VAL  52           H        VAL  52  12.144 -11.812 -15.000
  375    HA   VAL  52           HA       VAL  52  14.001 -12.539 -17.249
  376    HB   VAL  52           HB       VAL  52  11.369 -13.924 -16.590
  377   HG11  VAL  52          1HG1      VAL  52  13.502 -14.525 -18.684
  378   HG12  VAL  52          2HG1      VAL  52  12.093 -15.546 -18.323
  379   HG13  VAL  52          3HG1      VAL  52  11.852 -13.938 -18.999
  380   HG21  VAL  52          1HG2      VAL  52  12.785 -15.927 -16.114
  381   HG22  VAL  52          2HG2      VAL  52  14.233 -14.898 -16.210
  382   HG23  VAL  52          3HG2      VAL  52  13.010 -14.636 -14.940
  383    H    THR  53           H        THR  53  10.840 -11.267 -16.246
  384    HA   THR  53           HA       THR  53  10.405 -10.095 -18.952
  385    HB   THR  53           HB       THR  53   8.037 -10.029 -18.374
  386    HG1  THR  53          1HG       THR  53   8.808 -11.364 -15.992
  387   HG21  THR  53          1HG2      THR  53   9.134 -12.812 -17.787
  388   HG22  THR  53          2HG2      THR  53   8.899 -12.117 -19.407
  389   HG23  THR  53          3HG2      THR  53   7.502 -12.393 -18.350
  390    H    GLY  54           H        GLY  54  11.134  -9.303 -15.702
  391    HA2  GLY  54          1HA       GLY  54  11.607  -7.320 -14.712
  392    HA3  GLY  54          2HA       GLY  54  11.359  -6.535 -16.273
  393    H    GLN  55           H        GLN  55   8.542  -8.202 -15.446
  394    HA   GLN  55           HA       GLN  55   7.074  -5.748 -14.778
  395    HB2  GLN  55          1HB       GLN  55   6.051  -8.609 -14.928
  396    HB3  GLN  55          2HB       GLN  55   5.098  -7.126 -14.972
  397    HG2  GLN  55          1HG       GLN  55   6.960  -8.203 -17.123
  398    HG3  GLN  55          2HG       GLN  55   5.218  -8.021 -17.206
  399   HE21  GLN  55          1HE2      GLN  55   8.176  -6.553 -18.068
  400   HE22  GLN  55          2HE2      GLN  55   7.523  -4.951 -18.410
  401    H    HIS  56           H        HIS  56   5.470  -5.798 -12.876
  402    HA   HIS  56           HA       HIS  56   6.914  -6.443 -10.440
  403    HB2  HIS  56          1HB       HIS  56   5.108  -5.513  -9.243
  404    HB3  HIS  56          2HB       HIS  56   5.407  -4.483 -10.636
  405    HD2  HIS  56          2HD       HIS  56   3.344  -4.031 -12.230
  406    HE1  HIS  56          1HE       HIS  56   0.577  -6.764 -10.497
  407    HE2  HIS  56          2HE       HIS  56   0.836  -4.863 -12.147
  408    H    GLN  57           H        GLN  57   6.267  -7.843  -8.749
  409    HA   GLN  57           HA       GLN  57   5.543 -10.472  -9.778
  410    HB2  GLN  57          1HB       GLN  57   6.574  -9.527  -7.085
  411    HB3  GLN  57          2HB       GLN  57   6.278 -11.222  -7.495
  412    HG2  GLN  57          1HG       GLN  57   7.869 -11.082  -9.381
  413    HG3  GLN  57          2HG       GLN  57   8.210  -9.399  -8.984
  414   HE21  GLN  57          1HE2      GLN  57   8.468 -12.760  -7.703
  415   HE22  GLN  57          2HE2      GLN  57   9.790 -12.369  -6.612
  416    H    GLY  58           H        GLY  58   3.306  -8.429  -9.404
  417    HA2  GLY  58          1HA       GLY  58   1.025  -8.794  -9.149
  418    HA3  GLY  58          2HA       GLY  58   1.330 -10.292  -8.275
  419    H    TYR  59           H        TYR  59   3.237  -8.012  -6.783
  420    HA   TYR  59           HA       TYR  59   1.166  -6.780  -5.110
  421    HB2  TYR  59          1HB       TYR  59   2.066  -7.557  -3.031
  422    HB3  TYR  59          2HB       TYR  59   1.623  -8.941  -4.008
  423    HD1  TYR  59          1HD       TYR  59   4.339  -7.191  -2.298
  424    HD2  TYR  59          2HD       TYR  59   3.418 -10.334  -5.109
  425    HE1  TYR  59          1HE       TYR  59   6.599  -8.182  -1.946
  426    HE2  TYR  59          2HE       TYR  59   5.698 -11.277  -4.808
  427    HH   TYR  59           HH       TYR  59   7.707 -11.096  -3.709
  428    H    GLY  60           H        GLY  60   1.878  -5.064  -3.859
  429    HA2  GLY  60          1HA       GLY  60   4.524  -3.811  -4.438
  430    HA3  GLY  60          2HA       GLY  60   3.047  -2.963  -4.848
  431    H    PHE  61           H        PHE  61   4.484  -1.573  -3.251
  432    HA   PHE  61           HA       PHE  61   3.056  -1.608  -0.659
  433    HB2  PHE  61          1HB       PHE  61   6.047  -1.156  -0.902
  434    HB3  PHE  61          2HB       PHE  61   5.110  -1.088   0.561
  435    HD1  PHE  61          1HD       PHE  61   4.604  -3.057   1.838
  436    HD2  PHE  61          2HD       PHE  61   6.478  -3.383  -2.029
  437    HE1  PHE  61          1HE       PHE  61   5.186  -5.428   2.319
  438    HE2  PHE  61          2HE       PHE  61   7.040  -5.755  -1.558
  439    HZ   PHE  61           HZ       PHE  61   6.394  -6.781   0.617
  440    H    VAL  62           H        VAL  62   2.929   0.408   0.378
  441    HA   VAL  62           HA       VAL  62   3.862   2.823  -1.110
  442    HB   VAL  62           HB       VAL  62   1.060   2.600   0.050
  443   HG11  VAL  62          1HG1      VAL  62   2.415   4.710  -1.669
  444   HG12  VAL  62          2HG1      VAL  62   0.717   4.714  -1.157
  445   HG13  VAL  62          3HG1      VAL  62   1.977   4.876   0.052
  446   HG21  VAL  62          1HG2      VAL  62   1.963   2.408  -2.845
  447   HG22  VAL  62          2HG2      VAL  62   1.080   1.181  -1.913
  448   HG23  VAL  62          3HG2      VAL  62   0.287   2.699  -2.330
  449    H    GLU  63           H        GLU  63   4.724   4.369   0.194
  450    HA   GLU  63           HA       GLU  63   4.755   3.824   3.138
  451    HB2  GLU  63          1HB       GLU  63   6.859   3.581   1.820
  452    HB3  GLU  63          2HB       GLU  63   6.738   5.305   1.410
  453    HG2  GLU  63          1HG       GLU  63   6.881   5.915   3.780
  454    HG3  GLU  63          2HG       GLU  63   6.955   4.209   4.238
  455    H    PHE  64           H        PHE  64   3.625   5.176   4.359
  456    HA   PHE  64           HA       PHE  64   2.956   7.901   3.397
  457    HB2  PHE  64          1HB       PHE  64   1.860   6.136   5.610
  458    HB3  PHE  64          2HB       PHE  64   1.425   7.823   5.415
  459    HD1  PHE  64          1HD       PHE  64   0.176   8.646   3.507
  460    HD2  PHE  64          2HD       PHE  64   1.066   4.452   3.944
  461    HE1  PHE  64          1HE       PHE  64  -1.542   8.094   1.785
  462    HE2  PHE  64          2HE       PHE  64  -0.654   3.908   2.231
  463    HZ   PHE  64           HZ       PHE  64  -1.981   5.753   1.180
  464    H    LEU  65           H        LEU  65   3.026   9.690   4.861
  465    HA   LEU  65           HA       LEU  65   5.533  10.049   6.144
  466    HB2  LEU  65          1HB       LEU  65   3.895  11.781   5.148
  467    HB3  LEU  65          2HB       LEU  65   2.995  11.627   6.664
  468    HG   LEU  65           HG       LEU  65   5.179  12.275   7.861
  469   HD11  LEU  65          1HD1      LEU  65   5.925  13.119   5.023
  470   HD12  LEU  65          2HD1      LEU  65   6.760  11.885   5.994
  471   HD13  LEU  65          3HD1      LEU  65   6.797  13.577   6.503
  472   HD21  LEU  65          1HD2      LEU  65   3.898  14.281   5.950
  473   HD22  LEU  65          2HD2      LEU  65   4.834  14.682   7.410
  474   HD23  LEU  65          3HD2      LEU  65   3.288  13.834   7.559
  475    H    SER  66           H        SER  66   2.411   9.032   7.473
  476    HA   SER  66           HA       SER  66   3.687   8.394  10.081
  477    HB2  SER  66          1HB       SER  66   1.076   9.932   9.864
  478    HB3  SER  66          2HB       SER  66   1.921   9.449  11.339
  479    HG   SER  66           HG       SER  66   2.286  11.651  10.802
  480    H    GLU  67           H        GLU  67   2.508   6.898  11.372
  481    HA   GLU  67           HA       GLU  67   1.388   4.711   9.950
  482    HB2  GLU  67          1HB       GLU  67   2.586   4.582  12.078
  483    HB3  GLU  67          2HB       GLU  67   1.257   5.419  12.902
  484    HG2  GLU  67          1HG       GLU  67  -0.259   3.520  12.353
  485    HG3  GLU  67          2HG       GLU  67   1.055   2.733  11.473
  486    H    GLU  68           H        GLU  68  -0.283   7.411  11.601
  487    HA   GLU  68           HA       GLU  68  -2.906   6.237  11.419
  488    HB2  GLU  68          1HB       GLU  68  -3.740   8.429  12.008
  489    HB3  GLU  68          2HB       GLU  68  -2.357   8.002  13.014
  490    HG2  GLU  68          1HG       GLU  68  -0.895   9.444  11.568
  491    HG3  GLU  68          2HG       GLU  68  -2.315   9.906  10.627
  492    H    ASP  69           H        ASP  69  -0.960   7.865   9.025
  493    HA   ASP  69           HA       ASP  69  -3.206   8.296   7.152
  494    HB2  ASP  69          1HB       ASP  69  -0.191   8.557   6.878
  495    HB3  ASP  69          2HB       ASP  69  -1.330   8.899   5.590
  496    H    ALA  70           H        ALA  70  -0.681   5.865   7.798
  497    HA   ALA  70           HA       ALA  70  -1.231   4.250   5.451
  498    HB1  ALA  70          1HB       ALA  70   0.071   3.581   8.136
  499    HB2  ALA  70          2HB       ALA  70   0.114   2.564   6.694
  500    HB3  ALA  70          3HB       ALA  70   0.900   4.155   6.674
  501    H    ASP  71           H        ASP  71  -2.333   4.106   8.879
  502    HA   ASP  71           HA       ASP  71  -4.055   1.878   8.700
  503    HB2  ASP  71          1HB       ASP  71  -3.345   3.014  10.777
  504    HB3  ASP  71          2HB       ASP  71  -4.333   4.413  10.356
  505    H    TYR  72           H        TYR  72  -4.675   5.255   7.732
  506    HA   TYR  72           HA       TYR  72  -7.482   4.822   7.145
  507    HB2  TYR  72          1HB       TYR  72  -6.346   7.038   7.652
  508    HB3  TYR  72          2HB       TYR  72  -5.692   6.999   6.021
  509    HD1  TYR  72          1HD       TYR  72  -8.611   7.659   8.103
  510    HD2  TYR  72          2HD       TYR  72  -7.332   6.963   4.045
  511    HE1  TYR  72          1HE       TYR  72 -10.738   8.639   7.263
  512    HE2  TYR  72          2HE       TYR  72  -9.447   7.974   3.204
  513    HH   TYR  72           HH       TYR  72 -11.983   9.200   5.421
  514    H    ALA  73           H        ALA  73  -4.468   4.579   5.169
  515    HA   ALA  73           HA       ALA  73  -5.859   4.186   2.659
  516    HB1  ALA  73          1HB       ALA  73  -3.679   3.482   1.855
  517    HB2  ALA  73          2HB       ALA  73  -3.488   4.913   2.883
  518    HB3  ALA  73          3HB       ALA  73  -3.063   3.311   3.513
  519    H    ILE  74           H        ILE  74  -4.713   1.958   5.206
  520    HA   ILE  74           HA       ILE  74  -5.525  -0.484   3.930
  521    HB   ILE  74           HB       ILE  74  -5.309   0.207   6.888
  522   HG12  ILE  74          1HG1      ILE  74  -3.282  -1.270   5.156
  523   HG13  ILE  74          2HG1      ILE  74  -3.216   0.469   5.384
  524   HG21  ILE  74          1HG2      ILE  74  -6.637  -1.834   6.630
  525   HG22  ILE  74          2HG2      ILE  74  -5.482  -2.484   5.458
  526   HG23  ILE  74          3HG2      ILE  74  -5.031  -2.307   7.163
  527   HD11  ILE  74          1HD1      ILE  74  -2.961   0.203   7.803
  528   HD12  ILE  74          2HD1      ILE  74  -3.007  -1.566   7.626
  529   HD13  ILE  74          3HD1      ILE  74  -1.694  -0.631   6.895
  530    H    LYS  75           H        LYS  75  -7.356   1.934   5.780
  531    HA   LYS  75           HA       LYS  75  -9.787   0.377   5.989
  532    HB2  LYS  75          1HB       LYS  75  -9.234   2.220   7.516
  533    HB3  LYS  75          2HB       LYS  75  -9.346   3.386   6.193
  534    HG2  LYS  75          1HG       LYS  75 -11.717   2.917   5.890
  535    HG3  LYS  75          2HG       LYS  75 -11.637   1.626   7.105
  536    HD2  LYS  75          1HD       LYS  75 -11.042   3.316   8.844
  537    HD3  LYS  75          2HD       LYS  75 -11.042   4.580   7.608
  538    HE2  LYS  75          1HE       LYS  75 -13.110   4.754   8.783
  539    HE3  LYS  75          2HE       LYS  75 -13.462   4.140   7.166
  540    HZ1  LYS  75          1HZ       LYS  75 -13.650   1.904   8.135
  541    HZ2  LYS  75          2HZ       LYS  75 -14.670   2.920   8.898
  542    HZ3  LYS  75          3HZ       LYS  75 -13.284   2.471   9.627
  543    H    ILE  76           H        ILE  76  -8.731   2.870   3.585
  544    HA   ILE  76           HA       ILE  76 -11.265   2.499   2.161
  545    HB   ILE  76           HB       ILE  76 -10.464   4.222   0.639
  546   HG12  ILE  76          1HG1      ILE  76  -8.146   4.804   2.497
  547   HG13  ILE  76          2HG1      ILE  76  -7.927   3.795   1.086
  548   HG21  ILE  76          1HG2      ILE  76 -11.791   4.677   2.726
  549   HG22  ILE  76          2HG2      ILE  76 -10.267   5.004   3.584
  550   HG23  ILE  76          3HG2      ILE  76 -10.781   6.042   2.242
  551   HD11  ILE  76          1HD1      ILE  76  -8.892   5.675  -0.309
  552   HD12  ILE  76          2HD1      ILE  76  -8.825   6.683   1.163
  553   HD13  ILE  76          3HD1      ILE  76  -7.339   6.010   0.464
  554    H    MET  77           H        MET  77  -7.854   1.615   1.431
  555    HA   MET  77           HA       MET  77  -8.616   0.884  -1.304
  556    HB2  MET  77          1HB       MET  77  -6.001   0.963   0.128
  557    HB3  MET  77          2HB       MET  77  -6.145   0.388  -1.525
  558    HG2  MET  77          1HG       MET  77  -7.146   3.123  -0.704
  559    HG3  MET  77          2HG       MET  77  -5.488   2.840  -1.162
  560    HE1  MET  77          1HE       MET  77  -5.342   4.350  -3.516
  561    HE2  MET  77          2HE       MET  77  -6.950   4.784  -4.139
  562    HE3  MET  77          3HE       MET  77  -6.606   4.966  -2.414
  563    H    ASP  78           H        ASP  78  -9.124  -0.809   1.343
  564    HA   ASP  78           HA       ASP  78  -8.012  -3.361   0.376
  565    HB2  ASP  78          1HB       ASP  78  -7.843  -2.874   2.768
  566    HB3  ASP  78          2HB       ASP  78  -9.606  -2.850   2.907
  567    H    MET  79           H        MET  79  -9.012  -4.921  -0.620
  568    HA   MET  79           HA       MET  79 -10.385  -5.939  -1.985
  569    HB2  MET  79          1HB       MET  79 -11.623  -6.216   0.263
  570    HB3  MET  79          2HB       MET  79 -12.837  -5.138  -0.432
  571    HG2  MET  79          1HG       MET  79 -13.153  -6.693  -2.312
  572    HG3  MET  79          2HG       MET  79 -11.832  -7.708  -1.739
  573    HE1  MET  79          1HE       MET  79 -12.257  -8.088   1.377
  574    HE2  MET  79          2HE       MET  79 -13.279  -9.537   1.346
  575    HE3  MET  79          3HE       MET  79 -11.932  -9.381   0.200
  576    H    ILE  80           H        ILE  80  -9.837  -2.981  -2.336
  577    HA   ILE  80           HA       ILE  80 -11.969  -2.096  -4.141
  578    HB   ILE  80           HB       ILE  80  -9.375  -0.988  -3.158
  579   HG12  ILE  80          1HG1      ILE  80 -12.236  -0.023  -3.492
  580   HG13  ILE  80          2HG1      ILE  80 -11.358  -0.370  -2.003
  581   HG21  ILE  80          1HG2      ILE  80 -10.560   0.032  -5.746
  582   HG22  ILE  80          2HG2      ILE  80  -9.236   0.765  -4.778
  583   HG23  ILE  80          3HG2      ILE  80  -8.981  -0.783  -5.536
  584   HD11  ILE  80          1HD1      ILE  80  -9.860   1.641  -2.586
  585   HD12  ILE  80          2HD1      ILE  80 -11.011   2.004  -3.881
  586   HD13  ILE  80          3HD1      ILE  80 -11.552   2.010  -2.200
  587    H    LYS  81           H        LYS  81 -12.003  -2.104  -6.328
  588    HA   LYS  81           HA       LYS  81 -10.417  -4.293  -7.549
  589    HB2  LYS  81          1HB       LYS  81 -13.039  -3.007  -8.322
  590    HB3  LYS  81          2HB       LYS  81 -12.230  -4.316  -9.220
  591    HG2  LYS  81          1HG       LYS  81 -12.287  -5.700  -7.090
  592    HG3  LYS  81          2HG       LYS  81 -13.292  -4.441  -6.364
  593    HD2  LYS  81          1HD       LYS  81 -14.849  -6.027  -7.086
  594    HD3  LYS  81          2HD       LYS  81 -14.890  -4.808  -8.369
  595    HE2  LYS  81          1HE       LYS  81 -13.212  -6.259  -9.641
  596    HE3  LYS  81          2HE       LYS  81 -13.408  -7.480  -8.384
  597    HZ1  LYS  81          1HZ       LYS  81 -14.875  -7.918 -10.268
  598    HZ2  LYS  81          2HZ       LYS  81 -15.605  -6.467 -10.112
  599    HZ3  LYS  81          3HZ       LYS  81 -15.777  -7.598  -8.946
  600    H    LEU  82           H        LEU  82  -8.627  -2.676  -7.539
  601    HA   LEU  82           HA       LEU  82  -8.461  -0.611  -9.521
  602    HB2  LEU  82          1HB       LEU  82  -6.891  -0.905  -7.608
  603    HB3  LEU  82          2HB       LEU  82  -6.275  -2.385  -8.340
  604    HG   LEU  82           HG       LEU  82  -5.336  -1.117 -10.217
  605   HD11  LEU  82          1HD1      LEU  82  -5.317   1.401 -10.108
  606   HD12  LEU  82          2HD1      LEU  82  -6.551   1.316  -8.838
  607   HD13  LEU  82          3HD1      LEU  82  -6.901   0.730 -10.481
  608   HD21  LEU  82          1HD2      LEU  82  -4.010  -1.385  -8.142
  609   HD22  LEU  82          2HD2      LEU  82  -4.673   0.137  -7.514
  610   HD23  LEU  82          3HD2      LEU  82  -3.631   0.145  -8.951
  611    H    TYR  83           H        TYR  83  -8.302  -0.753 -11.766
  612    HA   TYR  83           HA       TYR  83  -8.908  -1.804 -13.699
  613    HB2  TYR  83          1HB       TYR  83  -6.357  -3.311 -13.090
  614    HB3  TYR  83          2HB       TYR  83  -7.093  -3.149 -14.676
  615    HD1  TYR  83          1HD       TYR  83  -4.592  -1.849 -12.621
  616    HD2  TYR  83          2HD       TYR  83  -7.625  -0.619 -15.428
  617    HE1  TYR  83          1HE       TYR  83  -3.268   0.186 -13.156
  618    HE2  TYR  83          2HE       TYR  83  -6.304   1.431 -15.949
  619    HH   TYR  83           HH       TYR  83  -3.132   2.095 -14.427
  620    H    GLY  84           H        GLY  84 -10.376  -3.134 -11.528
  621    HA2  GLY  84          1HA       GLY  84 -12.052  -4.704 -11.666
  622    HA3  GLY  84          2HA       GLY  84 -11.359  -5.338 -13.150
  623    H    LYS  85           H        LYS  85  -9.232  -5.321 -10.375
  624    HA   LYS  85           HA       LYS  85  -9.732  -8.157  -9.727
  625    HB2  LYS  85          1HB       LYS  85  -7.072  -6.808 -10.288
  626    HB3  LYS  85          2HB       LYS  85  -7.219  -8.315  -9.370
  627    HG2  LYS  85          1HG       LYS  85  -8.313  -9.428 -11.263
  628    HG3  LYS  85          2HG       LYS  85  -8.270  -7.926 -12.195
  629    HD2  LYS  85          1HD       LYS  85  -5.749  -7.964 -12.062
  630    HD3  LYS  85          2HD       LYS  85  -5.853  -9.484 -11.170
  631    HE2  LYS  85          1HE       LYS  85  -5.354 -10.053 -13.426
  632    HE3  LYS  85          2HE       LYS  85  -7.033 -10.519 -13.137
  633    HZ1  LYS  85          1HZ       LYS  85  -7.714  -8.474 -14.293
  634    HZ2  LYS  85          2HZ       LYS  85  -6.733  -9.346 -15.266
  635    HZ3  LYS  85          3HZ       LYS  85  -6.153  -8.018 -14.503
  636    HA   PRO  86           HA       PRO  86 -10.128  -5.877  -5.883
  637    HB2  PRO  86          1HB       PRO  86 -10.797  -7.945  -4.199
  638    HB3  PRO  86          2HB       PRO  86 -11.908  -7.197  -5.387
  639    HG2  PRO  86          1HG       PRO  86 -10.291  -9.734  -5.689
  640    HG3  PRO  86          2HG       PRO  86 -12.012  -9.452  -6.107
  641    HD2  PRO  86          1HD       PRO  86 -10.025  -9.354  -7.979
  642    HD3  PRO  86          2HD       PRO  86 -11.410  -8.221  -8.075
  643    H    ILE  87           H        ILE  87  -8.282  -5.035  -5.166
  644    HA   ILE  87           HA       ILE  87  -5.949  -6.633  -4.481
  645    HB   ILE  87           HB       ILE  87  -4.773  -4.637  -4.114
  646   HG12  ILE  87          1HG1      ILE  87  -7.443  -3.197  -3.933
  647   HG13  ILE  87          2HG1      ILE  87  -6.207  -3.383  -2.697
  648   HG21  ILE  87          1HG2      ILE  87  -5.052  -3.510  -6.269
  649   HG22  ILE  87          2HG2      ILE  87  -5.355  -5.238  -6.476
  650   HG23  ILE  87          3HG2      ILE  87  -6.711  -4.094  -6.417
  651   HD11  ILE  87          1HD1      ILE  87  -4.648  -2.028  -4.117
  652   HD12  ILE  87          2HD1      ILE  87  -6.019  -1.686  -5.200
  653   HD13  ILE  87          3HD1      ILE  87  -6.069  -1.150  -3.513
  654    H    ARG  88           H        ARG  88  -4.996  -6.843  -2.422
  655    HA   ARG  88           HA       ARG  88  -6.807  -6.289  -0.092
  656    HB2  ARG  88          1HB       ARG  88  -4.879  -8.617  -0.353
  657    HB3  ARG  88          2HB       ARG  88  -5.823  -8.206   1.075
  658    HG2  ARG  88          1HG       ARG  88  -6.846  -9.226  -1.593
  659    HG3  ARG  88          2HG       ARG  88  -6.913 -10.022  -0.027
  660    HD2  ARG  88          1HD       ARG  88  -8.537  -7.635  -0.971
  661    HD3  ARG  88          2HD       ARG  88  -9.127  -9.239  -0.607
  662    HE   ARG  88           HE       ARG  88  -8.440  -7.080   1.302
  663   HH11  ARG  88          1HH1      ARG  88  -9.143 -10.518   1.149
  664   HH12  ARG  88          2HH1      ARG  88  -9.736 -10.540   2.787
  665   HH21  ARG  88          1HH2      ARG  88  -9.338  -7.137   3.254
  666   HH22  ARG  88          2HH2      ARG  88  -9.797  -8.666   3.979
  667    H    VAL  89           H        VAL  89  -6.074  -5.190   1.560
  668    HA   VAL  89           HA       VAL  89  -3.253  -4.208   1.414
  669    HB   VAL  89           HB       VAL  89  -5.686  -2.478   1.952
  670   HG11  VAL  89          1HG1      VAL  89  -2.770  -1.734   1.451
  671   HG12  VAL  89          2HG1      VAL  89  -4.122  -0.600   1.669
  672   HG13  VAL  89          3HG1      VAL  89  -3.611  -1.625   3.007
  673   HG21  VAL  89          1HG2      VAL  89  -3.959  -2.776  -0.538
  674   HG22  VAL  89          2HG2      VAL  89  -5.694  -3.125  -0.405
  675   HG23  VAL  89          3HG2      VAL  89  -5.122  -1.463  -0.280
  676    H    ASN  90           H        ASN  90  -2.143  -3.935   3.256
  677    HA   ASN  90           HA       ASN  90  -3.399  -3.598   5.833
  678    HB2  ASN  90          1HB       ASN  90  -3.334  -6.233   5.231
  679    HB3  ASN  90          2HB       ASN  90  -1.672  -6.064   5.772
  680   HD21  ASN  90          1HD2      ASN  90  -5.080  -5.799   6.702
  681   HD22  ASN  90          2HD2      ASN  90  -4.773  -5.781   8.435
  682    H    LYS  91           H        LYS  91  -1.416  -3.935   7.591
  683    HA   LYS  91           HA       LYS  91   0.622  -1.948   6.999
  684    HB2  LYS  91          1HB       LYS  91   0.594  -4.108   9.148
  685    HB3  LYS  91          2HB       LYS  91   1.550  -2.631   9.168
  686    HG2  LYS  91          1HG       LYS  91  -1.502  -2.682   9.270
  687    HG3  LYS  91          2HG       LYS  91  -0.494  -2.739  10.693
  688    HD2  LYS  91          1HD       LYS  91  -0.213  -0.483   8.675
  689    HD3  LYS  91          2HD       LYS  91  -1.460  -0.447   9.915
  690    HE2  LYS  91          1HE       LYS  91   1.534  -0.688  10.462
  691    HE3  LYS  91          2HE       LYS  91   0.616   0.815  10.479
  692    HZ1  LYS  91          1HZ       LYS  91  -0.791  -0.207  12.256
  693    HZ2  LYS  91          2HZ       LYS  91   0.747   0.083  12.702
  694    HZ3  LYS  91          3HZ       LYS  91   0.273  -1.452  12.357
  695    H    ALA  92           H        ALA  92   2.818  -2.255   6.407
  696    HA   ALA  92           HA       ALA  92   3.513  -4.706   5.036
  697    HB1  ALA  92          1HB       ALA  92   5.704  -3.633   4.747
  698    HB2  ALA  92          2HB       ALA  92   4.377  -2.528   4.346
  699    HB3  ALA  92          3HB       ALA  92   5.239  -2.359   5.892
  700    H    SER  93           H        SER  93   4.082  -3.539   8.325
  701    HA   SER  93           HA       SER  93   5.046  -6.276   9.096
  702    HB2  SER  93          1HB       SER  93   5.684  -3.578  10.333
  703    HB3  SER  93          2HB       SER  93   5.894  -5.121  11.185
  704    HG   SER  93           HG       SER  93   7.819  -4.571  10.161
  705    H    ALA  94           H        ALA  94   3.537  -7.410  10.104
  706    HA   ALA  94           HA       ALA  94   1.303  -6.066  11.564
  707    HB1  ALA  94          1HB       ALA  94   0.678  -6.526   9.202
  708    HB2  ALA  94          2HB       ALA  94   1.081  -8.238   9.431
  709    HB3  ALA  94          3HB       ALA  94  -0.267  -7.506  10.328
  710    H    HIS  95           H        HIS  95  -0.142  -7.834  12.582
  711    HA   HIS  95           HA       HIS  95  -0.431  -9.253  14.312
  712    HB2  HIS  95          1HB       HIS  95   1.493 -11.005  12.770
  713    HB3  HIS  95          2HB       HIS  95   0.375 -11.535  14.025
  714    HD2  HIS  95          2HD       HIS  95   0.493 -10.572  10.353
  715    HE1  HIS  95          1HE       HIS  95  -3.586 -11.517  11.170
  716    HE2  HIS  95          2HE       HIS  95  -1.903 -11.007   9.328
  717    H    ASN  96           H        ASN  96   1.279  -7.243  15.029
  718    HA   ASN  96           HA       ASN  96   3.542  -8.207  16.555
  719    HB2  ASN  96          1HB       ASN  96   3.198  -5.875  15.597
  720    HB3  ASN  96          2HB       ASN  96   1.995  -5.600  16.859
  721   HD21  ASN  96          1HD2      ASN  96   3.546  -3.755  17.305
  722   HD22  ASN  96          2HD2      ASN  96   4.909  -4.110  18.357
  723    H    LYS  97           H        LYS  97   3.716  -7.982  18.924
  724    HA   LYS  97           HA       LYS  97   1.808  -9.604  20.328
  725    HB2  LYS  97          1HB       LYS  97   4.252  -9.493  20.780
  726    HB3  LYS  97          2HB       LYS  97   4.057  -7.847  21.398
  727    HG2  LYS  97          1HG       LYS  97   2.641  -8.687  23.244
  728    HG3  LYS  97          2HG       LYS  97   2.681 -10.316  22.554
  729    HD2  LYS  97          1HD       LYS  97   4.203 -10.210  24.418
  730    HD3  LYS  97          2HD       LYS  97   5.140 -10.406  22.929
  731    HE2  LYS  97          1HE       LYS  97   5.639  -7.969  22.922
  732    HE3  LYS  97          2HE       LYS  97   4.658  -7.758  24.378
  733    HZ1  LYS  97          1HZ       LYS  97   7.126  -9.408  24.212
  734    HZ2  LYS  97          2HZ       LYS  97   6.221  -9.209  25.559
  735    HZ3  LYS  97          3HZ       LYS  97   7.019  -7.940  24.916
  736    H    ASN  98           H        ASN  98   0.301  -9.156  21.861
  737    HA   ASN  98           HA       ASN  98  -0.600  -6.326  22.199
  738    HB2  ASN  98          1HB       ASN  98  -2.852  -7.066  22.104
  739    HB3  ASN  98          2HB       ASN  98  -2.041  -7.811  20.738
  740   HD21  ASN  98          1HD2      ASN  98  -3.854  -8.401  23.650
  741   HD22  ASN  98          2HD2      ASN  98  -3.757 -10.153  23.569
  742    H    LEU  99           H        LEU  99  -1.959  -5.968  24.128
  743    HA   LEU  99           HA       LEU  99  -1.046  -7.465  26.548
  744    HB2  LEU  99          1HB       LEU  99  -0.128  -5.165  26.351
  745    HB3  LEU  99          2HB       LEU  99  -1.764  -4.529  26.207
  746    HG   LEU  99           HG       LEU  99  -2.258  -5.314  28.524
  747   HD11  LEU  99          1HD1      LEU  99  -0.619  -7.152  28.748
  748   HD12  LEU  99          2HD1      LEU  99  -0.382  -5.939  30.008
  749   HD13  LEU  99          3HD1      LEU  99   0.713  -5.986  28.609
  750   HD21  LEU  99          1HD2      LEU  99  -1.508  -3.013  28.098
  751   HD22  LEU  99          2HD2      LEU  99   0.186  -3.524  28.279
  752   HD23  LEU  99          3HD2      LEU  99  -0.928  -3.603  29.663
  753    H    SER 100           H        SER 100  -2.624  -8.080  28.052
  754    HA   SER 100           HA       SER 100  -5.311  -8.442  27.143
  755    HB2  SER 100          1HB       SER 100  -4.210  -8.674  29.970
  756    HB3  SER 100          2HB       SER 100  -5.715  -9.386  29.355
  757    HG   SER 100           HG       SER 100  -3.981 -10.897  29.353
  758    H    GLY 101           H        GLY 101  -3.869  -5.983  29.229
  759    HA2  GLY 101          1HA       GLY 101  -5.640  -3.955  28.636
  760    HA3  GLY 101          2HA       GLY 101  -6.303  -4.678  30.106
  761    HA   PRO 102           HA       PRO 102  -2.553  -1.813  31.030
  762    HB2  PRO 102          1HB       PRO 102  -3.729   0.584  31.629
  763    HB3  PRO 102          2HB       PRO 102  -3.235   0.122  29.971
  764    HG2  PRO 102          1HG       PRO 102  -5.994  -0.104  31.220
  765    HG3  PRO 102          2HG       PRO 102  -5.554   0.604  29.633
  766    HD2  PRO 102          1HD       PRO 102  -6.466  -1.953  29.864
  767    HD3  PRO 102          2HD       PRO 102  -5.195  -1.526  28.678
  768    H    SER 103           H        SER 103  -1.877  -1.546  33.126
  769    HA   SER 103           HA       SER 103  -1.743  -2.040  35.329
  770    HB2  SER 103          1HB       SER 103  -4.371  -0.539  35.474
  771    HB3  SER 103          2HB       SER 103  -3.235  -0.809  36.808
  772    HG   SER 103           HG       SER 103  -2.942   1.244  35.818
  773    H    SER 104           H        SER 104  -3.019  -4.184  33.786
  774    HA   SER 104           HA       SER 104  -5.122  -5.333  35.421
  775    HB2  SER 104          1HB       SER 104  -4.974  -7.227  33.840
  776    HB3  SER 104          2HB       SER 104  -5.183  -5.660  33.051
  777    HG   SER 104           HG       SER 104  -3.267  -5.803  32.177
  778    H    GLY 105           H        GLY 105  -1.740  -5.432  35.776
  779    HA2  GLY 105          1HA       GLY 105  -0.434  -6.405  37.435
  780    HA3  GLY 105          2HA       GLY 105  -1.872  -7.182  38.091
  Start of MODEL   15
    1    H1   GLY   1          1H        GLY   1  -6.053 -16.051  15.373
    2    H2   GLY   1          2H        GLY   1  -4.918 -16.233  14.207
    3    H3   GLY   1          3H        GLY   1  -6.123 -17.336  14.355
    4    HA2  GLY   1          1HA       GLY   1  -6.547 -15.902  12.471
    5    HA3  GLY   1          2HA       GLY   1  -7.784 -15.722  13.729
    6    H    SER   2           H        SER   2  -7.265 -13.800  11.773
    7    HA   SER   2           HA       SER   2  -6.960 -11.615  11.377
    8    HB2  SER   2          1HB       SER   2  -6.995 -11.259  14.387
    9    HB3  SER   2          2HB       SER   2  -7.223  -9.991  13.176
   10    HG   SER   2           HG       SER   2  -9.221 -10.823  13.959
   11    H    SER   3           H        SER   3  -5.611  -9.617  11.668
   12    HA   SER   3           HA       SER   3  -2.770 -10.296  11.466
   13    HB2  SER   3          1HB       SER   3  -4.270  -7.655  11.299
   14    HB3  SER   3          2HB       SER   3  -2.527  -7.834  11.055
   15    HG   SER   3           HG       SER   3  -4.543  -9.206   9.572
   16    H    GLY   4           H        GLY   4  -1.064  -9.216  12.654
   17    HA2  GLY   4          1HA       GLY   4  -1.404  -9.113  15.518
   18    HA3  GLY   4          2HA       GLY   4   0.024  -8.640  14.608
   19    H    SER   5           H        SER   5  -0.680  -7.247  16.822
   20    HA   SER   5           HA       SER   5  -2.595  -5.192  16.550
   21    HB2  SER   5          1HB       SER   5  -1.461  -4.350  18.662
   22    HB3  SER   5          2HB       SER   5  -2.081  -6.005  18.678
   23    HG   SER   5           HG       SER   5  -0.141  -6.373  19.416
   24    H    SER   6           H        SER   6   0.732  -5.151  15.517
   25    HA   SER   6           HA       SER   6   2.138  -3.609  14.678
   26    HB2  SER   6          1HB       SER   6   1.337  -1.982  13.135
   27    HB3  SER   6          2HB       SER   6   0.355  -3.436  12.998
   28    HG   SER   6           HG       SER   6  -1.047  -2.190  14.610
   29    H    GLY   7           H        GLY   7   2.590  -0.926  14.633
   30    HA2  GLY   7          1HA       GLY   7   1.632   0.362  17.051
   31    HA3  GLY   7          2HA       GLY   7   3.298  -0.167  17.237
   32    HA   PRO   8           HA       PRO   8   3.004   3.968  14.892
   33    HB2  PRO   8          1HB       PRO   8   2.701   5.923  16.731
   34    HB3  PRO   8          2HB       PRO   8   1.331   4.900  16.221
   35    HG2  PRO   8          1HG       PRO   8   3.104   4.505  18.663
   36    HG3  PRO   8          2HG       PRO   8   1.312   4.594  18.607
   37    HD2  PRO   8          1HD       PRO   8   2.661   2.210  18.557
   38    HD3  PRO   8          2HD       PRO   8   1.137   2.460  17.653
   39    H    ILE   9           H        ILE   9   5.201   2.539  15.130
   40    HA   ILE   9           HA       ILE   9   7.372   3.790  16.599
   41    HB   ILE   9           HB       ILE   9   7.476   1.466  16.167
   42   HG12  ILE   9          1HG1      ILE   9   9.603   2.729  14.432
   43   HG13  ILE   9          2HG1      ILE   9   9.593   2.763  16.202
   44   HG21  ILE   9          1HG2      ILE   9   7.688   0.467  13.901
   45   HG22  ILE   9          2HG2      ILE   9   6.154   1.285  14.091
   46   HG23  ILE   9          3HG2      ILE   9   7.453   2.065  13.176
   47   HD11  ILE   9          1HD1      ILE   9  11.067   1.000  15.485
   48   HD12  ILE   9          2HD1      ILE   9   9.632   0.256  16.215
   49   HD13  ILE   9          3HD1      ILE   9   9.832   0.289  14.445
   50    H    SER  10           H        SER  10   8.892   5.217  15.971
   51    HA   SER  10           HA       SER  10   8.642   6.538  13.289
   52    HB2  SER  10          1HB       SER  10   9.808   7.590  15.889
   53    HB3  SER  10          2HB       SER  10   9.765   8.457  14.343
   54    HG   SER  10           HG       SER  10   8.010   9.027  15.721
   55    H    GLU  11           H        GLU  11  10.674   4.500  15.152
   56    HA   GLU  11           HA       GLU  11  13.222   5.294  13.971
   57    HB2  GLU  11          1HB       GLU  11  12.354   2.958  15.720
   58    HB3  GLU  11          2HB       GLU  11  14.008   3.238  15.200
   59    HG2  GLU  11          1HG       GLU  11  13.765   4.069  17.433
   60    HG3  GLU  11          2HG       GLU  11  14.070   5.403  16.328
   61    H    ARG  12           H        ARG  12  10.687   3.297  12.913
   62    HA   ARG  12           HA       ARG  12  12.150   2.564  10.470
   63    HB2  ARG  12          1HB       ARG  12  12.244   0.566  12.103
   64    HB3  ARG  12          2HB       ARG  12  10.486   0.482  11.966
   65    HG2  ARG  12          1HG       ARG  12  10.848   0.267   9.416
   66    HG3  ARG  12          2HG       ARG  12  12.564   0.068   9.765
   67    HD2  ARG  12          1HD       ARG  12  10.301  -1.693  10.816
   68    HD3  ARG  12          2HD       ARG  12  11.339  -2.072   9.433
   69    HE   ARG  12           HE       ARG  12  13.002  -1.593  11.694
   70   HH11  ARG  12          1HH1      ARG  12  13.934  -3.255  12.839
   71   HH12  ARG  12          2HH1      ARG  12  13.291  -4.865  12.717
   72   HH21  ARG  12          1HH2      ARG  12  10.766  -4.058  10.526
   73   HH22  ARG  12          2HH2      ARG  12  11.558  -5.309  11.451
   74    H    ASN  13           H        ASN  13  10.767   2.738   8.677
   75    HA   ASN  13           HA       ASN  13   8.095   3.869   9.221
   76    HB2  ASN  13          1HB       ASN  13   9.707   3.667   6.656
   77    HB3  ASN  13          2HB       ASN  13   8.129   4.421   6.790
   78   HD21  ASN  13          1HD2      ASN  13   9.832   6.058   5.780
   79   HD22  ASN  13          2HD2      ASN  13  10.423   7.223   6.977
   80    H    GLN  14           H        GLN  14   8.818   0.761   9.238
   81    HA   GLN  14           HA       GLN  14   7.346  -0.387   7.093
   82    HB2  GLN  14          1HB       GLN  14   9.123  -1.484   8.425
   83    HB3  GLN  14          2HB       GLN  14   8.016  -1.587   9.810
   84    HG2  GLN  14          1HG       GLN  14   6.498  -3.018   8.472
   85    HG3  GLN  14          2HG       GLN  14   7.556  -2.861   7.071
   86   HE21  GLN  14          1HE2      GLN  14   7.086  -5.385   7.626
   87   HE22  GLN  14          2HE2      GLN  14   8.475  -6.107   8.443
   88    H    ASP  15           H        ASP  15   6.258   0.399  10.442
   89    HA   ASP  15           HA       ASP  15   3.546  -0.542  10.001
   90    HB2  ASP  15          1HB       ASP  15   4.723   1.383  12.044
   91    HB3  ASP  15          2HB       ASP  15   3.070   0.758  12.070
   92    H    ALA  16           H        ALA  16   5.224   2.409   9.216
   93    HA   ALA  16           HA       ALA  16   2.778   3.856   8.431
   94    HB1  ALA  16          1HB       ALA  16   4.650   5.062   9.540
   95    HB2  ALA  16          2HB       ALA  16   5.708   4.640   8.170
   96    HB3  ALA  16          3HB       ALA  16   4.296   5.685   7.919
   97    H    THR  17           H        THR  17   4.268   1.290   7.112
   98    HA   THR  17           HA       THR  17   3.770   2.180   4.304
   99    HB   THR  17           HB       THR  17   5.543  -0.104   5.227
  100    HG1  THR  17          1HG       THR  17   6.436   1.921   5.644
  101   HG21  THR  17          1HG2      THR  17   4.617  -0.501   2.951
  102   HG22  THR  17          2HG2      THR  17   6.345  -0.127   2.883
  103   HG23  THR  17          3HG2      THR  17   5.165   1.115   2.450
  104    H    VAL  18           H        VAL  18   2.302   1.085   3.121
  105    HA   VAL  18           HA       VAL  18   0.803  -1.131   4.463
  106    HB   VAL  18           HB       VAL  18  -1.115  -0.633   3.210
  107   HG11  VAL  18          1HG1      VAL  18  -1.673   1.614   3.932
  108   HG12  VAL  18          2HG1      VAL  18  -0.659   0.855   5.171
  109   HG13  VAL  18          3HG1      VAL  18   0.031   2.063   4.066
  110   HG21  VAL  18          1HG2      VAL  18  -1.251   1.262   1.596
  111   HG22  VAL  18          2HG2      VAL  18   0.513   1.414   1.693
  112   HG23  VAL  18          3HG2      VAL  18  -0.225  -0.054   1.014
  113    H    TYR  19           H        TYR  19   0.366  -2.987   3.372
  114    HA   TYR  19           HA       TYR  19   1.996  -3.655   0.957
  115    HB2  TYR  19          1HB       TYR  19   2.376  -5.203   2.745
  116    HB3  TYR  19          2HB       TYR  19   0.666  -5.283   3.146
  117    HD1  TYR  19          1HD       TYR  19   3.176  -6.245   0.554
  118    HD2  TYR  19          2HD       TYR  19  -0.824  -6.806   2.061
  119    HE1  TYR  19          1HE       TYR  19   2.876  -8.208  -0.960
  120    HE2  TYR  19          2HE       TYR  19  -1.131  -8.748   0.534
  121    HH   TYR  19           HH       TYR  19  -0.160 -10.105  -1.042
  122    H    VAL  20           H        VAL  20   0.977  -4.185  -0.919
  123    HA   VAL  20           HA       VAL  20  -2.009  -4.318  -1.030
  124    HB   VAL  20           HB       VAL  20  -0.249  -2.891  -3.068
  125   HG11  VAL  20          1HG1      VAL  20  -3.279  -3.060  -2.743
  126   HG12  VAL  20          2HG1      VAL  20  -2.415  -2.120  -3.974
  127   HG13  VAL  20          3HG1      VAL  20  -2.330  -3.890  -3.981
  128   HG21  VAL  20          1HG2      VAL  20  -2.061  -1.655  -0.961
  129   HG22  VAL  20          2HG2      VAL  20  -0.291  -1.517  -1.043
  130   HG23  VAL  20          3HG2      VAL  20  -1.280  -0.794  -2.308
  131    H    GLY  21           H        GLY  21  -2.431  -6.373  -1.613
  132    HA2  GLY  21          1HA       GLY  21  -0.699  -7.764  -3.634
  133    HA3  GLY  21          2HA       GLY  21  -1.715  -8.557  -2.440
  134    H    GLY  22           H        GLY  22  -1.602  -8.670  -5.449
  135    HA2  GLY  22          1HA       GLY  22  -3.358  -9.642  -6.731
  136    HA3  GLY  22          2HA       GLY  22  -4.568  -8.746  -5.811
  137    H    LEU  23           H        LEU  23  -1.633  -7.461  -7.401
  138    HA   LEU  23           HA       LEU  23  -3.128  -5.220  -8.508
  139    HB2  LEU  23          1HB       LEU  23  -0.205  -6.057  -8.736
  140    HB3  LEU  23          2HB       LEU  23  -0.864  -4.525  -9.297
  141    HG   LEU  23           HG       LEU  23  -0.711  -5.462  -6.398
  142   HD11  LEU  23          1HD1      LEU  23   0.745  -3.251  -7.895
  143   HD12  LEU  23          2HD1      LEU  23   1.433  -4.818  -7.423
  144   HD13  LEU  23          3HD1      LEU  23   0.919  -3.662  -6.177
  145   HD21  LEU  23          1HD2      LEU  23  -2.639  -4.102  -6.477
  146   HD22  LEU  23          2HD2      LEU  23  -1.934  -2.978  -7.648
  147   HD23  LEU  23          3HD2      LEU  23  -1.344  -3.005  -5.976
  148    H    ASP  24           H        ASP  24  -3.207  -4.624 -10.684
  149    HA   ASP  24           HA       ASP  24  -3.293  -6.882 -12.574
  150    HB2  ASP  24          1HB       ASP  24  -5.268  -5.437 -12.399
  151    HB3  ASP  24          2HB       ASP  24  -4.292  -4.009 -12.743
  152    H    GLU  25           H        GLU  25  -2.316  -6.664 -14.756
  153    HA   GLU  25           HA       GLU  25   0.422  -5.963 -14.668
  154    HB2  GLU  25          1HB       GLU  25   0.465  -6.506 -17.019
  155    HB3  GLU  25          2HB       GLU  25  -0.511  -7.673 -16.132
  156    HG2  GLU  25          1HG       GLU  25  -2.586  -6.533 -16.920
  157    HG3  GLU  25          2HG       GLU  25  -1.604  -5.367 -17.808
  158    H    LYS  26           H        LYS  26  -2.280  -3.853 -15.407
  159    HA   LYS  26           HA       LYS  26  -0.624  -1.781 -16.684
  160    HB2  LYS  26          1HB       LYS  26  -3.492  -1.799 -15.675
  161    HB3  LYS  26          2HB       LYS  26  -2.739  -0.446 -16.528
  162    HG2  LYS  26          1HG       LYS  26  -2.288  -1.892 -18.482
  163    HG3  LYS  26          2HG       LYS  26  -3.062  -3.257 -17.683
  164    HD2  LYS  26          1HD       LYS  26  -4.402  -0.634 -18.452
  165    HD3  LYS  26          2HD       LYS  26  -4.539  -2.153 -19.330
  166    HE2  LYS  26          1HE       LYS  26  -5.552  -1.607 -16.507
  167    HE3  LYS  26          2HE       LYS  26  -6.532  -1.703 -17.972
  168    HZ1  LYS  26          1HZ       LYS  26  -5.706  -4.058 -18.178
  169    HZ2  LYS  26          2HZ       LYS  26  -6.656  -3.804 -16.874
  170    HZ3  LYS  26          3HZ       LYS  26  -5.044  -3.919 -16.673
  171    H    VAL  27           H        VAL  27  -1.024  -2.685 -13.427
  172    HA   VAL  27           HA       VAL  27  -0.839  -0.030 -12.226
  173    HB   VAL  27           HB       VAL  27  -0.317  -2.779 -11.027
  174   HG11  VAL  27          1HG1      VAL  27  -0.671  -0.078  -9.664
  175   HG12  VAL  27          2HG1      VAL  27  -0.688  -1.647  -8.856
  176   HG13  VAL  27          3HG1      VAL  27   0.778  -1.100  -9.639
  177   HG21  VAL  27          1HG2      VAL  27  -2.570  -2.472 -10.003
  178   HG22  VAL  27          2HG2      VAL  27  -2.775  -0.969 -10.925
  179   HG23  VAL  27          3HG2      VAL  27  -2.654  -2.529 -11.765
  180    H    SER  28           H        SER  28   0.916   1.072 -11.472
  181    HA   SER  28           HA       SER  28   3.539  -0.259 -11.323
  182    HB2  SER  28          1HB       SER  28   3.325   0.836 -13.630
  183    HB3  SER  28          2HB       SER  28   3.348   2.396 -12.776
  184    HG   SER  28           HG       SER  28   5.449   1.602 -13.469
  185    H    GLU  29           H        GLU  29   5.160   1.203 -10.212
  186    HA   GLU  29           HA       GLU  29   4.201   1.952  -7.680
  187    HB2  GLU  29          1HB       GLU  29   6.744   2.428  -9.253
  188    HB3  GLU  29          2HB       GLU  29   6.561   3.278  -7.736
  189    HG2  GLU  29          1HG       GLU  29   6.742   1.435  -6.436
  190    HG3  GLU  29          2HG       GLU  29   5.873   0.406  -7.545
  191    HA   PRO  30           HA       PRO  30   4.159   6.599  -8.751
  192    HB2  PRO  30          1HB       PRO  30   3.777   7.484 -11.300
  193    HB3  PRO  30          2HB       PRO  30   5.387   7.175 -10.579
  194    HG2  PRO  30          1HG       PRO  30   3.759   5.319 -12.326
  195    HG3  PRO  30          2HG       PRO  30   5.483   5.789 -12.512
  196    HD2  PRO  30          1HD       PRO  30   4.771   3.494 -11.315
  197    HD3  PRO  30          2HD       PRO  30   6.136   4.440 -10.681
  198    H    LEU  31           H        LEU  31   2.152   4.249 -10.465
  199    HA   LEU  31           HA       LEU  31  -0.298   5.846 -10.399
  200    HB2  LEU  31          1HB       LEU  31  -0.077   3.843 -11.900
  201    HB3  LEU  31          2HB       LEU  31   0.045   2.819 -10.474
  202    HG   LEU  31           HG       LEU  31  -2.285   3.730  -9.749
  203   HD11  LEU  31          1HD1      LEU  31  -3.671   4.505 -11.627
  204   HD12  LEU  31          2HD1      LEU  31  -2.240   4.510 -12.689
  205   HD13  LEU  31          3HD1      LEU  31  -2.345   5.640 -11.311
  206   HD21  LEU  31          1HD2      LEU  31  -3.403   2.139 -11.292
  207   HD22  LEU  31          2HD2      LEU  31  -1.943   1.477 -10.546
  208   HD23  LEU  31          3HD2      LEU  31  -1.907   2.038 -12.242
  209    H    LEU  32           H        LEU  32   1.066   3.181  -8.390
  210    HA   LEU  32           HA       LEU  32  -0.930   3.214  -6.394
  211    HB2  LEU  32          1HB       LEU  32   2.057   2.655  -6.039
  212    HB3  LEU  32          2HB       LEU  32   0.790   2.271  -4.878
  213    HG   LEU  32           HG       LEU  32   1.245   1.009  -7.591
  214   HD11  LEU  32          1HD1      LEU  32   1.111  -0.119  -4.757
  215   HD12  LEU  32          2HD1      LEU  32   2.611   0.199  -5.669
  216   HD13  LEU  32          3HD1      LEU  32   1.466  -1.031  -6.242
  217   HD21  LEU  32          1HD2      LEU  32  -1.148   1.178  -7.389
  218   HD22  LEU  32          2HD2      LEU  32  -1.095   0.724  -5.662
  219   HD23  LEU  32          3HD2      LEU  32  -0.710  -0.474  -6.910
  220    H    TRP  33           H        TRP  33   2.030   5.187  -6.586
  221    HA   TRP  33           HA       TRP  33   1.779   6.524  -4.116
  222    HB2  TRP  33          1HB       TRP  33   3.692   6.503  -5.783
  223    HB3  TRP  33          2HB       TRP  33   2.835   7.693  -6.727
  224    HD1  TRP  33           HD       TRP  33   2.010   9.669  -4.269
  225    HE1  TRP  33          1HE       TRP  33   3.855  11.048  -3.124
  226    HE3  TRP  33          3HE       TRP  33   6.034   6.898  -5.681
  227    HZ2  TRP  33          2HZ       TRP  33   6.746  11.002  -2.938
  228    HZ3  TRP  33          3HZ       TRP  33   8.355   7.595  -5.044
  229    HH2  TRP  33           HH       TRP  33   8.709   9.644  -3.678
  230    H    GLU  34           H        GLU  34   0.791   7.847  -7.302
  231    HA   GLU  34           HA       GLU  34  -0.641  10.058  -6.200
  232    HB2  GLU  34          1HB       GLU  34  -0.825   8.705  -8.928
  233    HB3  GLU  34          2HB       GLU  34  -1.632  10.227  -8.509
  234    HG2  GLU  34          1HG       GLU  34   0.622  11.138  -7.824
  235    HG3  GLU  34          2HG       GLU  34   1.370   9.719  -8.541
  236    H    LEU  35           H        LEU  35  -1.785   6.802  -6.905
  237    HA   LEU  35           HA       LEU  35  -4.599   7.382  -6.602
  238    HB2  LEU  35          1HB       LEU  35  -3.429   5.338  -7.725
  239    HB3  LEU  35          2HB       LEU  35  -3.255   4.717  -6.076
  240    HG   LEU  35           HG       LEU  35  -5.827   5.069  -5.946
  241   HD11  LEU  35          1HD1      LEU  35  -6.095   6.366  -8.019
  242   HD12  LEU  35          2HD1      LEU  35  -7.018   4.857  -8.074
  243   HD13  LEU  35          3HD1      LEU  35  -5.484   4.986  -8.960
  244   HD21  LEU  35          1HD2      LEU  35  -4.651   2.909  -7.717
  245   HD22  LEU  35          2HD2      LEU  35  -6.231   2.849  -6.891
  246   HD23  LEU  35          3HD2      LEU  35  -4.747   2.879  -5.938
  247    H    PHE  36           H        PHE  36  -2.044   6.456  -4.280
  248    HA   PHE  36           HA       PHE  36  -3.973   6.111  -2.074
  249    HB2  PHE  36          1HB       PHE  36  -1.045   5.575  -2.478
  250    HB3  PHE  36          2HB       PHE  36  -1.679   5.689  -0.883
  251    HD1  PHE  36          1HD       PHE  36  -2.569   3.905  -4.105
  252    HD2  PHE  36          2HD       PHE  36  -2.332   3.720   0.185
  253    HE1  PHE  36          1HE       PHE  36  -3.244   1.525  -4.176
  254    HE2  PHE  36          2HE       PHE  36  -3.101   1.361   0.121
  255    HZ   PHE  36           HZ       PHE  36  -3.562   0.261  -2.059
  256    H    LEU  37           H        LEU  37  -2.177   8.759  -3.324
  257    HA   LEU  37           HA       LEU  37  -1.878  10.411  -1.064
  258    HB2  LEU  37          1HB       LEU  37  -2.713  10.960  -3.929
  259    HB3  LEU  37          2HB       LEU  37  -2.544  12.267  -2.761
  260    HG   LEU  37           HG       LEU  37  -0.306  10.436  -3.665
  261   HD11  LEU  37          1HD1      LEU  37   0.581  12.436  -4.730
  262   HD12  LEU  37          2HD1      LEU  37  -0.775  13.405  -4.111
  263   HD13  LEU  37          3HD1      LEU  37  -1.066  12.141  -5.320
  264   HD21  LEU  37          1HD2      LEU  37  -0.299  12.768  -1.718
  265   HD22  LEU  37          2HD2      LEU  37   1.159  12.001  -2.404
  266   HD23  LEU  37          3HD2      LEU  37   0.078  11.072  -1.357
  267    H    GLN  38           H        GLN  38  -4.839   9.282  -2.413
  268    HA   GLN  38           HA       GLN  38  -6.703  11.185  -1.341
  269    HB2  GLN  38          1HB       GLN  38  -7.101   8.188  -1.771
  270    HB3  GLN  38          2HB       GLN  38  -8.369   9.417  -1.631
  271    HG2  GLN  38          1HG       GLN  38  -7.476  10.516  -3.710
  272    HG3  GLN  38          2HG       GLN  38  -6.286   9.204  -3.816
  273   HE21  GLN  38          1HE2      GLN  38  -6.951   7.130  -4.508
  274   HE22  GLN  38          2HE2      GLN  38  -8.570   6.848  -5.172
  275    H    ALA  39           H        ALA  39  -5.030   8.423   0.126
  276    HA   ALA  39           HA       ALA  39  -6.638   8.446   2.574
  277    HB1  ALA  39          1HB       ALA  39  -3.971   7.115   1.954
  278    HB2  ALA  39          2HB       ALA  39  -5.041   6.765   3.322
  279    HB3  ALA  39          3HB       ALA  39  -5.555   6.389   1.658
  280    H    GLY  40           H        GLY  40  -3.357   9.534   1.637
  281    HA2  GLY  40          1HA       GLY  40  -3.249  11.792   3.367
  282    HA3  GLY  40          2HA       GLY  40  -2.481  10.419   4.173
  283    HA   PRO  41           HA       PRO  41   0.577  12.626   1.366
  284    HB2  PRO  41          1HB       PRO  41   2.544  13.110   3.221
  285    HB3  PRO  41          2HB       PRO  41   1.140  14.185   2.950
  286    HG2  PRO  41          1HG       PRO  41   1.429  12.016   5.052
  287    HG3  PRO  41          2HG       PRO  41   0.921  13.718   5.288
  288    HD2  PRO  41          1HD       PRO  41  -0.866  11.684   5.057
  289    HD3  PRO  41          2HD       PRO  41  -1.215  13.261   4.291
  290    H    VAL  42           H        VAL  42   1.283  11.040   0.118
  291    HA   VAL  42           HA       VAL  42   2.706   8.668   1.144
  292    HB   VAL  42           HB       VAL  42   2.012   9.474  -1.697
  293   HG11  VAL  42          1HG1      VAL  42   3.226   6.907  -0.576
  294   HG12  VAL  42          2HG1      VAL  42   2.591   7.093  -2.218
  295   HG13  VAL  42          3HG1      VAL  42   3.992   8.025  -1.723
  296   HG21  VAL  42          1HG2      VAL  42   0.364   7.653  -1.577
  297   HG22  VAL  42          2HG2      VAL  42   0.792   7.358   0.123
  298   HG23  VAL  42          3HG2      VAL  42   0.011   8.879  -0.360
  299    H    VAL  43           H        VAL  43   4.783   8.358   1.094
  300    HA   VAL  43           HA       VAL  43   6.608  10.617   0.394
  301    HB   VAL  43           HB       VAL  43   7.123   8.288   2.282
  302   HG11  VAL  43          1HG1      VAL  43   8.706   9.873   3.351
  303   HG12  VAL  43          2HG1      VAL  43   9.140   9.555   1.665
  304   HG13  VAL  43          3HG1      VAL  43   8.333  11.083   2.110
  305   HG21  VAL  43          1HG2      VAL  43   6.532   9.787   4.140
  306   HG22  VAL  43          2HG2      VAL  43   5.936  11.005   2.983
  307   HG23  VAL  43          3HG2      VAL  43   5.141   9.420   3.126
  308    H    ASN  44           H        ASN  44   6.106   7.150  -0.080
  309    HA   ASN  44           HA       ASN  44   8.020   6.957  -2.271
  310    HB2  ASN  44          1HB       ASN  44   9.581   6.866  -0.424
  311    HB3  ASN  44          2HB       ASN  44   8.560   5.779   0.483
  312   HD21  ASN  44          1HD2      ASN  44   9.652   3.902   0.681
  313   HD22  ASN  44          2HD2      ASN  44  10.435   3.068  -0.671
  314    H    THR  45           H        THR  45   7.953   4.792  -3.280
  315    HA   THR  45           HA       THR  45   5.837   2.912  -2.411
  316    HB   THR  45           HB       THR  45   5.274   2.560  -4.897
  317    HG1  THR  45          1HG       THR  45   5.352   4.504  -6.088
  318   HG21  THR  45          1HG2      THR  45   3.486   4.100  -4.882
  319   HG22  THR  45          2HG2      THR  45   4.287   5.142  -3.668
  320   HG23  THR  45          3HG2      THR  45   3.720   3.509  -3.241
  321    H    HIS  46           H        HIS  46   6.096   0.752  -3.191
  322    HA   HIS  46           HA       HIS  46   8.643   0.119  -4.584
  323    HB2  HIS  46          1HB       HIS  46   8.834   0.094  -1.940
  324    HB3  HIS  46          2HB       HIS  46   7.932  -1.398  -2.068
  325    HD2  HIS  46          2HD       HIS  46  11.375  -0.319  -1.867
  326    HE1  HIS  46          1HE       HIS  46  11.668  -3.796  -4.322
  327    HE2  HIS  46          2HE       HIS  46  12.983  -2.129  -2.913
  328    H    MET  47           H        MET  47   8.302  -1.399  -6.121
  329    HA   MET  47           HA       MET  47   6.305  -3.579  -5.613
  330    HB2  MET  47          1HB       MET  47   6.528  -1.905  -8.129
  331    HB3  MET  47          2HB       MET  47   5.831  -3.528  -8.112
  332    HG2  MET  47          1HG       MET  47   4.113  -2.909  -6.595
  333    HG3  MET  47          2HG       MET  47   4.849  -1.344  -6.252
  334    HE1  MET  47          1HE       MET  47   2.610  -2.444 -10.130
  335    HE2  MET  47          2HE       MET  47   4.309  -2.903  -9.919
  336    HE3  MET  47          3HE       MET  47   3.069  -3.569  -8.825
  337    HA   PRO  48           HA       PRO  48  10.384  -5.406  -6.387
  338    HB2  PRO  48          1HB       PRO  48   8.862  -7.835  -5.424
  339    HB3  PRO  48          2HB       PRO  48  10.539  -7.329  -5.041
  340    HG2  PRO  48          1HG       PRO  48   8.573  -6.848  -3.265
  341    HG3  PRO  48          2HG       PRO  48   9.737  -5.542  -3.642
  342    HD2  PRO  48          1HD       PRO  48   6.948  -5.946  -4.777
  343    HD3  PRO  48          2HD       PRO  48   7.691  -4.454  -4.117
  344    H    LYS  49           H        LYS  49  11.144  -6.146  -8.287
  345    HA   LYS  49           HA       LYS  49   9.207  -7.023 -10.331
  346    HB2  LYS  49          1HB       LYS  49  12.117  -6.232 -10.683
  347    HB3  LYS  49          2HB       LYS  49  10.920  -6.452 -11.953
  348    HG2  LYS  49          1HG       LYS  49  10.985  -4.252  -9.863
  349    HG3  LYS  49          2HG       LYS  49  11.299  -4.102 -11.592
  350    HD2  LYS  49          1HD       LYS  49   8.909  -4.793 -12.035
  351    HD3  LYS  49          2HD       LYS  49   8.611  -4.743 -10.296
  352    HE2  LYS  49          1HE       LYS  49   9.425  -2.410 -12.087
  353    HE3  LYS  49          2HE       LYS  49   7.846  -2.687 -11.348
  354    HZ1  LYS  49          1HZ       LYS  49  10.350  -1.943  -9.963
  355    HZ2  LYS  49          2HZ       LYS  49   9.076  -2.569  -9.150
  356    HZ3  LYS  49          3HZ       LYS  49   8.914  -1.149  -9.934
  357    H    ASP  50           H        ASP  50   9.456  -8.646 -11.752
  358    HA   ASP  50           HA       ASP  50  10.456 -11.194 -10.869
  359    HB2  ASP  50          1HB       ASP  50   8.485 -10.968 -12.300
  360    HB3  ASP  50          2HB       ASP  50   9.426 -10.137 -13.532
  361    H    ARG  51           H        ARG  51  12.231 -12.371 -11.514
  362    HA   ARG  51           HA       ARG  51  14.547 -10.819 -12.377
  363    HB2  ARG  51          1HB       ARG  51  15.875 -12.617 -11.575
  364    HB3  ARG  51          2HB       ARG  51  14.617 -12.245 -10.401
  365    HG2  ARG  51          1HG       ARG  51  13.282 -14.194 -11.218
  366    HG3  ARG  51          2HG       ARG  51  14.568 -14.584 -12.370
  367    HD2  ARG  51          1HD       ARG  51  14.898 -14.476  -9.343
  368    HD3  ARG  51          2HD       ARG  51  14.611 -15.941 -10.268
  369    HE   ARG  51           HE       ARG  51  17.116 -14.435 -10.046
  370   HH11  ARG  51          1HH1      ARG  51  15.492 -16.883 -11.965
  371   HH12  ARG  51          2HH1      ARG  51  16.990 -17.477 -12.627
  372   HH21  ARG  51          1HH2      ARG  51  18.976 -15.243 -10.932
  373   HH22  ARG  51          2HH2      ARG  51  18.904 -16.572 -12.051
  374    H    VAL  52           H        VAL  52  12.405 -11.988 -14.422
  375    HA   VAL  52           HA       VAL  52  14.430 -12.972 -16.412
  376    HB   VAL  52           HB       VAL  52  11.632 -14.116 -16.037
  377   HG11  VAL  52          1HG1      VAL  52  12.407 -14.263 -18.363
  378   HG12  VAL  52          2HG1      VAL  52  13.949 -14.969 -17.825
  379   HG13  VAL  52          3HG1      VAL  52  12.425 -15.857 -17.615
  380   HG21  VAL  52          1HG2      VAL  52  14.335 -15.296 -15.266
  381   HG22  VAL  52          2HG2      VAL  52  12.987 -14.890 -14.172
  382   HG23  VAL  52          3HG2      VAL  52  12.807 -16.205 -15.327
  383    H    THR  53           H        THR  53  11.277 -11.418 -15.836
  384    HA   THR  53           HA       THR  53  11.304 -10.313 -18.611
  385    HB   THR  53           HB       THR  53   8.877 -10.108 -18.388
  386    HG1  THR  53          1HG       THR  53   9.236 -11.442 -15.907
  387   HG21  THR  53          1HG2      THR  53   8.233 -12.445 -18.448
  388   HG22  THR  53          2HG2      THR  53   9.736 -12.937 -17.640
  389   HG23  THR  53          3HG2      THR  53   9.786 -12.248 -19.279
  390    H    GLY  54           H        GLY  54  11.534  -9.471 -15.290
  391    HA2  GLY  54          1HA       GLY  54  11.805  -7.490 -14.236
  392    HA3  GLY  54          2HA       GLY  54  11.841  -6.691 -15.813
  393    H    GLN  55           H        GLN  55   8.967  -8.472 -15.393
  394    HA   GLN  55           HA       GLN  55   7.221  -6.158 -15.085
  395    HB2  GLN  55          1HB       GLN  55   6.693  -9.160 -14.963
  396    HB3  GLN  55          2HB       GLN  55   5.448  -7.910 -15.040
  397    HG2  GLN  55          1HG       GLN  55   6.219  -7.211 -17.270
  398    HG3  GLN  55          2HG       GLN  55   7.533  -8.384 -17.218
  399   HE21  GLN  55          1HE2      GLN  55   6.909 -10.733 -16.994
  400   HE22  GLN  55          2HE2      GLN  55   5.396 -11.234 -17.764
  401    H    HIS  56           H        HIS  56   5.554  -6.056 -13.274
  402    HA   HIS  56           HA       HIS  56   6.785  -6.583 -10.654
  403    HB2  HIS  56          1HB       HIS  56   5.008  -5.471  -9.664
  404    HB3  HIS  56          2HB       HIS  56   5.378  -4.563 -11.123
  405    HD2  HIS  56          2HD       HIS  56   3.298  -3.975 -12.597
  406    HE1  HIS  56          1HE       HIS  56   0.463  -6.677 -10.920
  407    HE2  HIS  56          2HE       HIS  56   0.765  -4.725 -12.500
  408    H    GLN  57           H        GLN  57   5.843  -7.892  -9.000
  409    HA   GLN  57           HA       GLN  57   5.059 -10.507 -10.128
  410    HB2  GLN  57          1HB       GLN  57   6.284  -9.687  -7.484
  411    HB3  GLN  57          2HB       GLN  57   5.891 -11.357  -7.923
  412    HG2  GLN  57          1HG       GLN  57   7.403 -11.292  -9.839
  413    HG3  GLN  57          2HG       GLN  57   7.774  -9.591  -9.545
  414   HE21  GLN  57          1HE2      GLN  57   8.717  -9.063  -7.359
  415   HE22  GLN  57          2HE2      GLN  57   9.860 -10.239  -6.690
  416    H    GLY  58           H        GLY  58   3.008  -8.338  -9.638
  417    HA2  GLY  58          1HA       GLY  58   0.724  -8.549  -9.299
  418    HA3  GLY  58          2HA       GLY  58   0.958 -10.083  -8.465
  419    H    TYR  59           H        TYR  59   3.015  -7.802  -7.033
  420    HA   TYR  59           HA       TYR  59   0.994  -6.663  -5.220
  421    HB2  TYR  59          1HB       TYR  59   2.021  -7.474  -3.218
  422    HB3  TYR  59          2HB       TYR  59   1.589  -8.842  -4.220
  423    HD1  TYR  59          1HD       TYR  59   4.338  -6.972  -2.657
  424    HD2  TYR  59          2HD       TYR  59   3.357 -10.173  -5.381
  425    HE1  TYR  59          1HE       TYR  59   6.662  -7.851  -2.477
  426    HE2  TYR  59          2HE       TYR  59   5.691 -11.017  -5.235
  427    HH   TYR  59           HH       TYR  59   7.764 -10.737  -4.288
  428    H    GLY  60           H        GLY  60   1.799  -5.049  -3.784
  429    HA2  GLY  60          1HA       GLY  60   4.408  -3.774  -4.320
  430    HA3  GLY  60          2HA       GLY  60   2.958  -2.884  -4.795
  431    H    PHE  61           H        PHE  61   4.342  -1.537  -3.194
  432    HA   PHE  61           HA       PHE  61   2.949  -1.558  -0.582
  433    HB2  PHE  61          1HB       PHE  61   5.935  -1.156  -1.000
  434    HB3  PHE  61          2HB       PHE  61   5.092  -0.962   0.516
  435    HD1  PHE  61          1HD       PHE  61   6.401  -3.412  -1.916
  436    HD2  PHE  61          2HD       PHE  61   4.393  -2.870   1.857
  437    HE1  PHE  61          1HE       PHE  61   6.918  -5.763  -1.305
  438    HE2  PHE  61          2HE       PHE  61   4.930  -5.220   2.480
  439    HZ   PHE  61           HZ       PHE  61   6.185  -6.670   0.894
  440    H    VAL  62           H        VAL  62   2.720   0.456   0.397
  441    HA   VAL  62           HA       VAL  62   3.709   2.875  -1.049
  442    HB   VAL  62           HB       VAL  62   0.890   2.732   0.070
  443   HG11  VAL  62          1HG1      VAL  62   2.292   4.762  -1.691
  444   HG12  VAL  62          2HG1      VAL  62   0.606   4.822  -1.141
  445   HG13  VAL  62          3HG1      VAL  62   1.898   4.964   0.037
  446   HG21  VAL  62          1HG2      VAL  62   0.134   2.793  -2.311
  447   HG22  VAL  62          2HG2      VAL  62   1.799   2.425  -2.808
  448   HG23  VAL  62          3HG2      VAL  62   0.869   1.259  -1.846
  449    H    GLU  63           H        GLU  63   4.723   4.255   0.241
  450    HA   GLU  63           HA       GLU  63   4.674   3.802   3.189
  451    HB2  GLU  63          1HB       GLU  63   6.780   3.529   1.894
  452    HB3  GLU  63          2HB       GLU  63   6.668   5.241   1.433
  453    HG2  GLU  63          1HG       GLU  63   6.856   5.941   3.750
  454    HG3  GLU  63          2HG       GLU  63   6.858   4.269   4.304
  455    H    PHE  64           H        PHE  64   3.676   5.234   4.442
  456    HA   PHE  64           HA       PHE  64   2.953   7.925   3.402
  457    HB2  PHE  64          1HB       PHE  64   1.826   6.181   5.611
  458    HB3  PHE  64          2HB       PHE  64   1.398   7.867   5.409
  459    HD1  PHE  64          1HD       PHE  64   1.105   4.500   3.876
  460    HD2  PHE  64          2HD       PHE  64   0.100   8.678   3.552
  461    HE1  PHE  64          1HE       PHE  64  -0.631   3.950   2.179
  462    HE2  PHE  64          2HE       PHE  64  -1.630   8.122   1.845
  463    HZ   PHE  64           HZ       PHE  64  -2.028   5.782   1.201
  464    H    LEU  65           H        LEU  65   3.049   9.735   4.813
  465    HA   LEU  65           HA       LEU  65   5.536  10.107   6.106
  466    HB2  LEU  65          1HB       LEU  65   3.872  11.827   5.117
  467    HB3  LEU  65          2HB       LEU  65   2.999  11.677   6.650
  468    HG   LEU  65           HG       LEU  65   5.200  12.332   7.807
  469   HD11  LEU  65          1HD1      LEU  65   6.745  11.953   5.905
  470   HD12  LEU  65          2HD1      LEU  65   6.784  13.644   6.419
  471   HD13  LEU  65          3HD1      LEU  65   5.884  13.186   4.956
  472   HD21  LEU  65          1HD2      LEU  65   3.868  14.333   5.924
  473   HD22  LEU  65          2HD2      LEU  65   4.832  14.738   7.364
  474   HD23  LEU  65          3HD2      LEU  65   3.295  13.880   7.545
  475    H    SER  66           H        SER  66   2.430   9.079   7.454
  476    HA   SER  66           HA       SER  66   3.726   8.495  10.066
  477    HB2  SER  66          1HB       SER  66   1.056   9.925   9.852
  478    HB3  SER  66          2HB       SER  66   1.955   9.516  11.319
  479    HG   SER  66           HG       SER  66   2.203  11.719  10.717
  480    H    GLU  67           H        GLU  67   2.625   6.970  11.357
  481    HA   GLU  67           HA       GLU  67   1.597   4.728   9.940
  482    HB2  GLU  67          1HB       GLU  67   2.908   4.617  11.938
  483    HB3  GLU  67          2HB       GLU  67   1.684   5.454  12.878
  484    HG2  GLU  67          1HG       GLU  67   1.136   2.790  11.509
  485    HG3  GLU  67          2HG       GLU  67   1.969   2.860  13.052
  486    H    GLU  68           H        GLU  68  -0.174   7.293  11.688
  487    HA   GLU  68           HA       GLU  68  -2.727   5.977  11.526
  488    HB2  GLU  68          1HB       GLU  68  -3.674   8.102  12.175
  489    HB3  GLU  68          2HB       GLU  68  -2.252   7.737  13.148
  490    HG2  GLU  68          1HG       GLU  68  -0.903   9.295  11.712
  491    HG3  GLU  68          2HG       GLU  68  -2.365   9.691  10.804
  492    H    ASP  69           H        ASP  69  -0.936   7.833   9.153
  493    HA   ASP  69           HA       ASP  69  -3.224   8.193   7.335
  494    HB2  ASP  69          1HB       ASP  69  -0.225   8.585   7.016
  495    HB3  ASP  69          2HB       ASP  69  -1.384   8.863   5.731
  496    H    ALA  70           H        ALA  70  -0.602   5.812   7.841
  497    HA   ALA  70           HA       ALA  70  -1.206   4.296   5.430
  498    HB1  ALA  70          1HB       ALA  70   0.989   4.220   6.573
  499    HB2  ALA  70          2HB       ALA  70   0.234   3.513   8.016
  500    HB3  ALA  70          3HB       ALA  70   0.266   2.605   6.499
  501    H    ASP  71           H        ASP  71  -2.148   3.990   8.890
  502    HA   ASP  71           HA       ASP  71  -3.718   1.656   8.639
  503    HB2  ASP  71          1HB       ASP  71  -2.845   2.968  10.710
  504    HB3  ASP  71          2HB       ASP  71  -4.361   3.861  10.596
  505    H    TYR  72           H        TYR  72  -4.572   4.995   7.880
  506    HA   TYR  72           HA       TYR  72  -7.409   4.442   7.433
  507    HB2  TYR  72          1HB       TYR  72  -6.510   6.666   8.124
  508    HB3  TYR  72          2HB       TYR  72  -5.693   6.791   6.563
  509    HD1  TYR  72          1HD       TYR  72  -9.115   6.198   8.047
  510    HD2  TYR  72          2HD       TYR  72  -6.828   7.830   4.784
  511    HE1  TYR  72          1HE       TYR  72 -11.210   7.089   7.019
  512    HE2  TYR  72          2HE       TYR  72  -8.915   8.727   3.758
  513    HH   TYR  72           HH       TYR  72 -11.191   8.932   3.946
  514    H    ALA  73           H        ALA  73  -4.478   4.551   5.355
  515    HA   ALA  73           HA       ALA  73  -5.869   4.395   2.829
  516    HB1  ALA  73          1HB       ALA  73  -3.104   3.364   3.573
  517    HB2  ALA  73          2HB       ALA  73  -3.707   3.805   1.959
  518    HB3  ALA  73          3HB       ALA  73  -3.475   5.052   3.201
  519    H    ILE  74           H        ILE  74  -4.741   1.924   5.123
  520    HA   ILE  74           HA       ILE  74  -5.570  -0.394   3.648
  521    HB   ILE  74           HB       ILE  74  -5.286   0.087   6.643
  522   HG12  ILE  74          1HG1      ILE  74  -3.293  -1.302   4.810
  523   HG13  ILE  74          2HG1      ILE  74  -3.251   0.442   5.040
  524   HG21  ILE  74          1HG2      ILE  74  -4.991  -2.415   6.787
  525   HG22  ILE  74          2HG2      ILE  74  -6.609  -1.961   6.268
  526   HG23  ILE  74          3HG2      ILE  74  -5.427  -2.528   5.076
  527   HD11  ILE  74          1HD1      ILE  74  -3.027  -1.541   7.314
  528   HD12  ILE  74          2HD1      ILE  74  -1.680  -0.730   6.489
  529   HD13  ILE  74          3HD1      ILE  74  -2.862   0.226   7.379
  530    H    LYS  75           H        LYS  75  -7.372   1.779   5.825
  531    HA   LYS  75           HA       LYS  75  -9.775   0.198   5.946
  532    HB2  LYS  75          1HB       LYS  75  -9.204   1.938   7.580
  533    HB3  LYS  75          2HB       LYS  75  -9.362   3.194   6.346
  534    HG2  LYS  75          1HG       LYS  75 -11.726   2.752   6.080
  535    HG3  LYS  75          2HG       LYS  75 -11.622   1.346   7.155
  536    HD2  LYS  75          1HD       LYS  75 -10.986   2.844   9.037
  537    HD3  LYS  75          2HD       LYS  75 -11.082   4.247   7.948
  538    HE2  LYS  75          1HE       LYS  75 -13.479   3.762   7.528
  539    HE3  LYS  75          2HE       LYS  75 -13.388   2.349   8.586
  540    HZ1  LYS  75          1HZ       LYS  75 -12.949   5.156   9.460
  541    HZ2  LYS  75          2HZ       LYS  75 -12.863   3.848  10.436
  542    HZ3  LYS  75          3HZ       LYS  75 -14.285   4.272   9.761
  543    H    ILE  76           H        ILE  76  -8.775   2.795   3.667
  544    HA   ILE  76           HA       ILE  76 -11.346   2.518   2.266
  545    HB   ILE  76           HB       ILE  76 -10.645   4.381   0.907
  546   HG12  ILE  76          1HG1      ILE  76  -8.130   4.609   2.592
  547   HG13  ILE  76          2HG1      ILE  76  -8.168   3.992   0.951
  548   HG21  ILE  76          1HG2      ILE  76 -10.885   6.052   2.665
  549   HG22  ILE  76          2HG2      ILE  76 -11.823   4.630   3.122
  550   HG23  ILE  76          3HG2      ILE  76 -10.245   4.934   3.885
  551   HD11  ILE  76          1HD1      ILE  76  -7.555   6.261   0.749
  552   HD12  ILE  76          2HD1      ILE  76  -9.245   6.196   0.247
  553   HD13  ILE  76          3HD1      ILE  76  -8.818   6.793   1.874
  554    H    MET  77           H        MET  77  -7.976   1.587   1.498
  555    HA   MET  77           HA       MET  77  -8.750   1.000  -1.274
  556    HB2  MET  77          1HB       MET  77  -6.130   1.052   0.156
  557    HB3  MET  77          2HB       MET  77  -6.263   0.474  -1.494
  558    HG2  MET  77          1HG       MET  77  -7.427   3.160  -0.793
  559    HG3  MET  77          2HG       MET  77  -5.702   3.002  -1.002
  560    HE1  MET  77          1HE       MET  77  -6.676   4.997  -2.428
  561    HE2  MET  77          2HE       MET  77  -5.350   4.445  -3.491
  562    HE3  MET  77          3HE       MET  77  -6.956   4.802  -4.164
  563    H    ASP  78           H        ASP  78  -9.225  -0.797   1.320
  564    HA   ASP  78           HA       ASP  78  -8.228  -3.349   0.220
  565    HB2  ASP  78          1HB       ASP  78  -8.022  -2.951   2.633
  566    HB3  ASP  78          2HB       ASP  78  -9.781  -2.840   2.780
  567    H    MET  79           H        MET  79  -9.380  -4.912  -0.721
  568    HA   MET  79           HA       MET  79 -10.879  -5.841  -2.025
  569    HB2  MET  79          1HB       MET  79 -12.054  -5.943   0.275
  570    HB3  MET  79          2HB       MET  79 -13.196  -4.783  -0.411
  571    HG2  MET  79          1HG       MET  79 -13.712  -6.365  -2.231
  572    HG3  MET  79          2HG       MET  79 -12.479  -7.481  -1.646
  573    HE1  MET  79          1HE       MET  79 -12.685  -9.042   0.378
  574    HE2  MET  79          2HE       MET  79 -12.856  -7.668   1.495
  575    HE3  MET  79          3HE       MET  79 -14.010  -9.014   1.562
  576    H    ILE  80           H        ILE  80 -10.230  -2.835  -2.348
  577    HA   ILE  80           HA       ILE  80 -12.252  -1.888  -4.236
  578    HB   ILE  80           HB       ILE  80  -9.621  -0.963  -3.168
  579   HG12  ILE  80          1HG1      ILE  80 -12.352   0.248  -3.678
  580   HG13  ILE  80          2HG1      ILE  80 -11.585  -0.138  -2.139
  581   HG21  ILE  80          1HG2      ILE  80  -9.079  -0.869  -5.530
  582   HG22  ILE  80          2HG2      ILE  80 -10.537   0.126  -5.832
  583   HG23  ILE  80          3HG2      ILE  80  -9.193   0.707  -4.797
  584   HD11  ILE  80          1HD1      ILE  80 -10.946   2.148  -4.042
  585   HD12  ILE  80          2HD1      ILE  80 -11.523   2.237  -2.372
  586   HD13  ILE  80          3HD1      ILE  80  -9.865   1.701  -2.714
  587    H    LYS  81           H        LYS  81 -12.002  -1.783  -6.506
  588    HA   LYS  81           HA       LYS  81 -10.427  -4.055  -7.647
  589    HB2  LYS  81          1HB       LYS  81 -13.075  -2.840  -8.463
  590    HB3  LYS  81          2HB       LYS  81 -12.215  -4.114  -9.352
  591    HG2  LYS  81          1HG       LYS  81 -12.302  -5.530  -7.233
  592    HG3  LYS  81          2HG       LYS  81 -13.344  -4.293  -6.526
  593    HD2  LYS  81          1HD       LYS  81 -14.821  -5.950  -7.311
  594    HD3  LYS  81          2HD       LYS  81 -14.914  -4.655  -8.513
  595    HE2  LYS  81          1HE       LYS  81 -13.230  -5.937  -9.909
  596    HE3  LYS  81          2HE       LYS  81 -13.312  -7.242  -8.722
  597    HZ1  LYS  81          1HZ       LYS  81 -15.687  -7.466  -9.220
  598    HZ2  LYS  81          2HZ       LYS  81 -14.817  -7.651 -10.587
  599    HZ3  LYS  81          3HZ       LYS  81 -15.620  -6.258 -10.316
  600    H    LEU  82           H        LEU  82  -8.631  -2.488  -7.678
  601    HA   LEU  82           HA       LEU  82  -8.489  -0.320  -9.540
  602    HB2  LEU  82          1HB       LEU  82  -6.878  -0.773  -7.701
  603    HB3  LEU  82          2HB       LEU  82  -6.314  -2.217  -8.539
  604    HG   LEU  82           HG       LEU  82  -5.368  -0.874 -10.342
  605   HD11  LEU  82          1HD1      LEU  82  -6.573   1.504  -8.866
  606   HD12  LEU  82          2HD1      LEU  82  -6.900   0.997 -10.537
  607   HD13  LEU  82          3HD1      LEU  82  -5.321   1.644 -10.113
  608   HD21  LEU  82          1HD2      LEU  82  -4.031  -1.241  -8.289
  609   HD22  LEU  82          2HD2      LEU  82  -4.678   0.259  -7.593
  610   HD23  LEU  82          3HD2      LEU  82  -3.643   0.321  -9.033
  611    H    TYR  83           H        TYR  83  -8.312  -0.288 -11.793
  612    HA   TYR  83           HA       TYR  83  -8.960  -1.138 -13.802
  613    HB2  TYR  83          1HB       TYR  83  -6.548  -2.902 -13.313
  614    HB3  TYR  83          2HB       TYR  83  -7.251  -2.534 -14.878
  615    HD1  TYR  83          1HD       TYR  83  -4.645  -1.665 -12.745
  616    HD2  TYR  83          2HD       TYR  83  -7.563   0.099 -15.386
  617    HE1  TYR  83          1HE       TYR  83  -3.146   0.287 -13.108
  618    HE2  TYR  83          2HE       TYR  83  -6.074   2.062 -15.722
  619    HH   TYR  83           HH       TYR  83  -4.062   3.032 -15.222
  620    H    GLY  84           H        GLY  84 -10.492  -2.592 -11.679
  621    HA2  GLY  84          1HA       GLY  84 -12.215  -4.111 -11.850
  622    HA3  GLY  84          2HA       GLY  84 -11.661  -4.579 -13.453
  623    H    LYS  85           H        LYS  85  -9.551  -4.838 -10.626
  624    HA   LYS  85           HA       LYS  85  -9.854  -7.757 -10.386
  625    HB2  LYS  85          1HB       LYS  85  -8.004  -7.292 -11.971
  626    HB3  LYS  85          2HB       LYS  85  -7.230  -6.254 -10.767
  627    HG2  LYS  85          1HG       LYS  85  -7.035  -8.226  -9.230
  628    HG3  LYS  85          2HG       LYS  85  -7.779  -9.245 -10.477
  629    HD2  LYS  85          1HD       LYS  85  -5.905  -8.725 -12.021
  630    HD3  LYS  85          2HD       LYS  85  -5.181  -7.672 -10.786
  631    HE2  LYS  85          1HE       LYS  85  -5.002  -9.608  -9.241
  632    HE3  LYS  85          2HE       LYS  85  -5.707 -10.662 -10.474
  633    HZ1  LYS  85          1HZ       LYS  85  -3.279 -10.792 -10.481
  634    HZ2  LYS  85          2HZ       LYS  85  -3.136  -9.184 -10.758
  635    HZ3  LYS  85          3HZ       LYS  85  -3.789 -10.168 -11.899
  636    HA   PRO  86           HA       PRO  86 -10.158  -5.886  -6.346
  637    HB2  PRO  86          1HB       PRO  86 -10.597  -8.112  -4.779
  638    HB3  PRO  86          2HB       PRO  86 -11.818  -7.334  -5.830
  639    HG2  PRO  86          1HG       PRO  86 -10.092  -9.741  -6.437
  640    HG3  PRO  86          2HG       PRO  86 -11.847  -9.527  -6.734
  641    HD2  PRO  86          1HD       PRO  86 -10.001  -9.181  -8.695
  642    HD3  PRO  86          2HD       PRO  86 -11.434  -8.100  -8.612
  643    H    ILE  87           H        ILE  87  -8.623  -5.055  -5.139
  644    HA   ILE  87           HA       ILE  87  -6.120  -6.547  -4.605
  645    HB   ILE  87           HB       ILE  87  -5.181  -4.392  -3.885
  646   HG12  ILE  87          1HG1      ILE  87  -7.513  -2.993  -5.222
  647   HG13  ILE  87          2HG1      ILE  87  -7.496  -3.268  -3.477
  648   HG21  ILE  87          1HG2      ILE  87  -4.885  -3.544  -6.201
  649   HG22  ILE  87          2HG2      ILE  87  -4.796  -5.306  -6.114
  650   HG23  ILE  87          3HG2      ILE  87  -6.262  -4.522  -6.736
  651   HD11  ILE  87          1HD1      ILE  87  -5.417  -1.681  -5.043
  652   HD12  ILE  87          2HD1      ILE  87  -6.693  -1.029  -4.005
  653   HD13  ILE  87          3HD1      ILE  87  -5.387  -1.990  -3.290
  654    H    ARG  88           H        ARG  88  -5.265  -6.856  -2.639
  655    HA   ARG  88           HA       ARG  88  -7.051  -6.548  -0.245
  656    HB2  ARG  88          1HB       ARG  88  -6.580  -8.904  -1.045
  657    HB3  ARG  88          2HB       ARG  88  -4.865  -8.603  -0.785
  658    HG2  ARG  88          1HG       ARG  88  -5.599  -9.802   1.107
  659    HG3  ARG  88          2HG       ARG  88  -5.417  -8.140   1.667
  660    HD2  ARG  88          1HD       ARG  88  -7.927  -7.850   1.369
  661    HD3  ARG  88          2HD       ARG  88  -8.023  -9.537   0.896
  662    HE   ARG  88           HE       ARG  88  -7.660 -10.217   3.104
  663   HH11  ARG  88          1HH1      ARG  88  -7.469  -6.701   3.013
  664   HH12  ARG  88          2HH1      ARG  88  -7.038  -6.603   4.694
  665   HH21  ARG  88          1HH2      ARG  88  -7.346  -9.981   5.290
  666   HH22  ARG  88          2HH2      ARG  88  -7.142  -8.395   5.973
  667    H    VAL  89           H        VAL  89  -6.321  -5.272   1.359
  668    HA   VAL  89           HA       VAL  89  -3.494  -4.315   1.236
  669    HB   VAL  89           HB       VAL  89  -5.930  -2.576   1.723
  670   HG11  VAL  89          1HG1      VAL  89  -4.365  -0.700   1.451
  671   HG12  VAL  89          2HG1      VAL  89  -3.863  -1.721   2.794
  672   HG13  VAL  89          3HG1      VAL  89  -3.008  -1.829   1.251
  673   HG21  VAL  89          1HG2      VAL  89  -5.308  -1.579  -0.508
  674   HG22  VAL  89          2HG2      VAL  89  -4.157  -2.911  -0.725
  675   HG23  VAL  89          3HG2      VAL  89  -5.900  -3.235  -0.634
  676    H    ASN  90           H        ASN  90  -2.407  -3.946   3.101
  677    HA   ASN  90           HA       ASN  90  -3.676  -3.996   5.744
  678    HB2  ASN  90          1HB       ASN  90  -3.453  -6.450   4.887
  679    HB3  ASN  90          2HB       ASN  90  -1.721  -6.206   5.048
  680   HD21  ASN  90          1HD2      ASN  90  -2.512  -8.241   6.441
  681   HD22  ASN  90          2HD2      ASN  90  -2.871  -7.870   8.123
  682    H    LYS  91           H        LYS  91  -1.770  -4.055   7.481
  683    HA   LYS  91           HA       LYS  91   0.227  -2.006   6.907
  684    HB2  LYS  91          1HB       LYS  91   0.211  -4.091   9.127
  685    HB3  LYS  91          2HB       LYS  91   1.161  -2.610   9.106
  686    HG2  LYS  91          1HG       LYS  91  -1.877  -2.736   9.253
  687    HG3  LYS  91          2HG       LYS  91  -0.820  -2.618  10.643
  688    HD2  LYS  91          1HD       LYS  91  -0.424  -0.523   8.533
  689    HD3  LYS  91          2HD       LYS  91  -1.970  -0.488   9.370
  690    HE2  LYS  91          1HE       LYS  91   0.652  -0.480  10.895
  691    HE3  LYS  91          2HE       LYS  91  -0.108   0.984  10.264
  692    HZ1  LYS  91          1HZ       LYS  91  -2.189   0.197  11.500
  693    HZ2  LYS  91          2HZ       LYS  91  -0.976   0.828  12.382
  694    HZ3  LYS  91          3HZ       LYS  91  -1.174  -0.793  12.359
  695    H    ALA  92           H        ALA  92   2.389  -2.218   6.314
  696    HA   ALA  92           HA       ALA  92   3.314  -4.779   5.241
  697    HB1  ALA  92          1HB       ALA  92   4.820  -2.180   5.688
  698    HB2  ALA  92          2HB       ALA  92   5.331  -3.543   4.679
  699    HB3  ALA  92          3HB       ALA  92   3.898  -2.599   4.225
  700    H    SER  93           H        SER  93   3.261  -3.404   8.401
  701    HA   SER  93           HA       SER  93   5.349  -5.199   9.478
  702    HB2  SER  93          1HB       SER  93   4.719  -4.199  11.645
  703    HB3  SER  93          2HB       SER  93   5.234  -2.994  10.457
  704    HG   SER  93           HG       SER  93   3.312  -2.479  11.694
  705    H    ALA  94           H        ALA  94   2.017  -4.591  10.506
  706    HA   ALA  94           HA       ALA  94   0.423  -5.867  11.443
  707    HB1  ALA  94          1HB       ALA  94  -0.338  -7.843  10.216
  708    HB2  ALA  94          2HB       ALA  94   0.068  -6.515   9.116
  709    HB3  ALA  94          3HB       ALA  94   1.188  -7.887   9.312
  710    H    HIS  95           H        HIS  95   3.007  -5.955  12.668
  711    HA   HIS  95           HA       HIS  95   3.561  -8.621  13.705
  712    HB2  HIS  95          1HB       HIS  95   4.484  -5.896  14.681
  713    HB3  HIS  95          2HB       HIS  95   5.219  -7.443  15.084
  714    HD2  HIS  95          2HD       HIS  95   5.299  -8.502  11.926
  715    HE1  HIS  95          1HE       HIS  95   8.020  -5.251  11.463
  716    HE2  HIS  95          2HE       HIS  95   7.203  -7.446  10.456
  717    H    ASN  96           H        ASN  96   3.087  -9.455  15.775
  718    HA   ASN  96           HA       ASN  96   1.042  -8.033  17.389
  719    HB2  ASN  96          1HB       ASN  96   0.785 -10.449  16.871
  720    HB3  ASN  96          2HB       ASN  96   2.291 -10.787  17.728
  721   HD21  ASN  96          1HD2      ASN  96   0.720 -12.245  18.943
  722   HD22  ASN  96          2HD2      ASN  96  -0.132 -11.516  20.297
  723    H    LYS  97           H        LYS  97   2.329  -6.238  17.981
  724    HA   LYS  97           HA       LYS  97   4.471  -6.783  20.009
  725    HB2  LYS  97          1HB       LYS  97   5.918  -5.157  19.003
  726    HB3  LYS  97          2HB       LYS  97   5.483  -6.399  17.836
  727    HG2  LYS  97          1HG       LYS  97   3.819  -4.836  16.808
  728    HG3  LYS  97          2HG       LYS  97   4.304  -3.578  17.962
  729    HD2  LYS  97          1HD       LYS  97   6.602  -3.611  17.094
  730    HD3  LYS  97          2HD       LYS  97   6.215  -4.976  16.036
  731    HE2  LYS  97          1HE       LYS  97   4.448  -3.476  14.939
  732    HE3  LYS  97          2HE       LYS  97   5.137  -2.129  15.854
  733    HZ1  LYS  97          1HZ       LYS  97   6.573  -3.831  13.883
  734    HZ2  LYS  97          2HZ       LYS  97   7.283  -2.628  14.755
  735    HZ3  LYS  97          3HZ       LYS  97   6.117  -2.268  13.662
  736    H    ASN  98           H        ASN  98   1.596  -5.027  19.594
  737    HA   ASN  98           HA       ASN  98   2.304  -2.847  21.396
  738    HB2  ASN  98          1HB       ASN  98   0.392  -2.860  19.706
  739    HB3  ASN  98          2HB       ASN  98  -0.465  -3.949  20.804
  740   HD21  ASN  98          1HD2      ASN  98  -2.061  -2.079  20.662
  741   HD22  ASN  98          2HD2      ASN  98  -1.822  -0.768  21.807
  742    H    LEU  99           H        LEU  99   1.676  -2.635  23.620
  743    HA   LEU  99           HA       LEU  99   0.901  -5.014  25.144
  744    HB2  LEU  99          1HB       LEU  99   2.876  -4.972  26.610
  745    HB3  LEU  99          2HB       LEU  99   3.136  -5.562  24.984
  746    HG   LEU  99           HG       LEU  99   4.269  -3.473  24.340
  747   HD11  LEU  99          1HD1      LEU  99   3.238  -1.815  25.750
  748   HD12  LEU  99          2HD1      LEU  99   4.947  -1.884  26.180
  749   HD13  LEU  99          3HD1      LEU  99   3.737  -2.671  27.228
  750   HD21  LEU  99          1HD2      LEU  99   5.518  -5.374  25.291
  751   HD22  LEU  99          2HD2      LEU  99   5.308  -4.705  26.924
  752   HD23  LEU  99          3HD2      LEU  99   6.273  -3.826  25.711
  753    H    SER 100           H        SER 100   0.680  -4.634  27.482
  754    HA   SER 100           HA       SER 100  -0.770  -2.124  27.929
  755    HB2  SER 100          1HB       SER 100  -1.417  -3.278  30.060
  756    HB3  SER 100          2HB       SER 100  -1.850  -4.144  28.575
  757    HG   SER 100           HG       SER 100  -0.900  -5.555  30.097
  758    H    GLY 101           H        GLY 101   2.132  -3.703  29.250
  759    HA2  GLY 101          1HA       GLY 101   3.881  -2.944  30.522
  760    HA3  GLY 101          2HA       GLY 101   3.566  -1.368  29.805
  761    HA   PRO 102           HA       PRO 102   1.037  -0.993  33.844
  762    HB2  PRO 102          1HB       PRO 102   0.626  -3.076  35.560
  763    HB3  PRO 102          2HB       PRO 102  -0.371  -2.817  34.095
  764    HG2  PRO 102          1HG       PRO 102   2.041  -4.647  34.398
  765    HG3  PRO 102          2HG       PRO 102   0.421  -5.057  33.744
  766    HD2  PRO 102          1HD       PRO 102   2.475  -4.395  32.095
  767    HD3  PRO 102          2HD       PRO 102   0.806  -3.839  31.763
  768    H    SER 103           H        SER 103   1.705  -0.229  35.857
  769    HA   SER 103           HA       SER 103   4.537  -0.440  36.502
  770    HB2  SER 103          1HB       SER 103   2.306   0.986  37.996
  771    HB3  SER 103          2HB       SER 103   4.046   1.256  38.185
  772    HG   SER 103           HG       SER 103   4.119   2.010  36.036
  773    H    SER 104           H        SER 104   1.735  -2.137  37.629
  774    HA   SER 104           HA       SER 104   2.538  -2.661  40.325
  775    HB2  SER 104          1HB       SER 104   0.636  -4.233  38.550
  776    HB3  SER 104          2HB       SER 104   0.741  -4.314  40.318
  777    HG   SER 104           HG       SER 104  -0.933  -2.903  39.625
  778    H    GLY 105           H        GLY 105   3.302  -4.518  41.312
  779    HA2  GLY 105          1HA       GLY 105   5.329  -6.099  39.963
  780    HA3  GLY 105          2HA       GLY 105   4.780  -6.279  41.629
  Start of MODEL   16
    1    H1   GLY   1          1H        GLY   1 -12.491 -11.252  20.554
    2    H2   GLY   1          2H        GLY   1 -13.242 -12.521  21.276
    3    H3   GLY   1          3H        GLY   1 -11.986 -11.775  22.020
    4    HA2  GLY   1          1HA       GLY   1 -14.625 -10.575  21.481
    5    HA3  GLY   1          2HA       GLY   1 -14.034 -11.103  23.068
    6    H    SER   2           H        SER   2 -14.703  -8.381  21.584
    7    HA   SER   2           HA       SER   2 -13.917  -6.273  21.328
    8    HB2  SER   2          1HB       SER   2 -12.402  -6.838  23.894
    9    HB3  SER   2          2HB       SER   2 -12.785  -5.242  23.223
   10    HG   SER   2           HG       SER   2 -14.304  -5.913  24.819
   11    H    SER   3           H        SER   3 -12.557  -8.140  19.785
   12    HA   SER   3           HA       SER   3  -9.717  -7.990  19.967
   13    HB2  SER   3          1HB       SER   3 -11.393  -8.846  17.585
   14    HB3  SER   3          2HB       SER   3  -9.728  -9.323  17.960
   15    HG   SER   3           HG       SER   3 -11.164 -10.947  18.576
   16    H    GLY   4           H        GLY   4  -8.193  -7.221  18.408
   17    HA2  GLY   4          1HA       GLY   4  -8.972  -5.390  16.274
   18    HA3  GLY   4          2HA       GLY   4  -8.132  -4.596  17.609
   19    H    SER   5           H        SER   5  -7.419  -5.216  14.725
   20    HA   SER   5           HA       SER   5  -4.989  -6.912  15.025
   21    HB2  SER   5          1HB       SER   5  -5.306  -7.376  12.627
   22    HB3  SER   5          2HB       SER   5  -6.696  -7.848  13.617
   23    HG   SER   5           HG       SER   5  -7.330  -6.715  11.714
   24    H    SER   6           H        SER   6  -5.670  -3.651  14.742
   25    HA   SER   6           HA       SER   6  -4.076  -2.806  12.594
   26    HB2  SER   6          1HB       SER   6  -4.743  -1.205  15.088
   27    HB3  SER   6          2HB       SER   6  -4.404  -0.582  13.464
   28    HG   SER   6           HG       SER   6  -6.641  -0.653  13.820
   29    H    GLY   7           H        GLY   7  -3.019  -3.558  15.842
   30    HA2  GLY   7          1HA       GLY   7  -1.051  -3.341  16.994
   31    HA3  GLY   7          2HA       GLY   7  -0.309  -3.733  15.447
   32    HA   PRO   8           HA       PRO   8  -0.077   0.941  15.177
   33    HB2  PRO   8          1HB       PRO   8  -1.292   2.169  17.630
   34    HB3  PRO   8          2HB       PRO   8  -1.471   2.638  15.918
   35    HG2  PRO   8          1HG       PRO   8  -3.473   1.349  17.210
   36    HG3  PRO   8          2HG       PRO   8  -3.051   0.889  15.525
   37    HD2  PRO   8          1HD       PRO   8  -2.093  -0.407  18.108
   38    HD3  PRO   8          2HD       PRO   8  -2.892  -1.175  16.719
   39    H    ILE   9           H        ILE   9   2.056   1.215  15.365
   40    HA   ILE   9           HA       ILE   9   3.266   2.056  17.930
   41    HB   ILE   9           HB       ILE   9   5.235   0.752  17.649
   42   HG12  ILE   9          1HG1      ILE   9   3.784  -0.878  15.522
   43   HG13  ILE   9          2HG1      ILE   9   5.048   0.313  15.180
   44   HG21  ILE   9          1HG2      ILE   9   4.399  -1.289  18.614
   45   HG22  ILE   9          2HG2      ILE   9   3.367   0.036  19.142
   46   HG23  ILE   9          3HG2      ILE   9   2.806  -1.061  17.863
   47   HD11  ILE   9          1HD1      ILE   9   5.371  -2.222  16.803
   48   HD12  ILE   9          2HD1      ILE   9   6.120  -1.817  15.244
   49   HD13  ILE   9          3HD1      ILE   9   6.580  -0.927  16.717
   50    H    SER  10           H        SER  10   5.141   3.334  17.729
   51    HA   SER  10           HA       SER  10   5.529   4.647  15.085
   52    HB2  SER  10          1HB       SER  10   6.445   6.508  16.431
   53    HB3  SER  10          2HB       SER  10   4.775   6.098  16.856
   54    HG   SER  10           HG       SER  10   6.111   6.383  18.716
   55    H    GLU  11           H        GLU  11   7.022   2.220  16.731
   56    HA   GLU  11           HA       GLU  11   9.726   3.035  16.966
   57    HB2  GLU  11          1HB       GLU  11   8.544   1.123  18.108
   58    HB3  GLU  11          2HB       GLU  11   8.604   0.235  16.583
   59    HG2  GLU  11          1HG       GLU  11  11.115   0.357  16.665
   60    HG3  GLU  11          2HG       GLU  11  10.993   1.186  18.220
   61    H    ARG  12           H        ARG  12   8.063   1.467  14.247
   62    HA   ARG  12           HA       ARG  12  10.494   1.655  12.514
   63    HB2  ARG  12          1HB       ARG  12   8.863  -0.814  13.211
   64    HB3  ARG  12          2HB       ARG  12   9.740  -0.711  11.683
   65    HG2  ARG  12          1HG       ARG  12  11.860  -0.485  12.755
   66    HG3  ARG  12          2HG       ARG  12  11.138  -0.271  14.351
   67    HD2  ARG  12          1HD       ARG  12  10.791  -2.815  12.726
   68    HD3  ARG  12          2HD       ARG  12  12.131  -2.557  13.846
   69    HE   ARG  12           HE       ARG  12  10.461  -2.223  15.681
   70   HH11  ARG  12          1HH1      ARG  12   9.387  -4.199  12.970
   71   HH12  ARG  12          2HH1      ARG  12   8.195  -4.990  13.966
   72   HH21  ARG  12          1HH2      ARG  12   9.070  -3.192  16.793
   73   HH22  ARG  12          2HH2      ARG  12   8.006  -4.445  16.142
   74    H    ASN  13           H        ASN  13  10.148   1.784  10.323
   75    HA   ASN  13           HA       ASN  13   7.689   3.109   9.586
   76    HB2  ASN  13          1HB       ASN  13   8.772   3.671   7.571
   77    HB3  ASN  13          2HB       ASN  13   9.978   3.811   8.841
   78   HD21  ASN  13          1HD2      ASN  13   9.838   3.077   5.756
   79   HD22  ASN  13          2HD2      ASN  13  10.947   1.700   5.678
   80    H    GLN  14           H        GLN  14   8.309  -0.203   9.649
   81    HA   GLN  14           HA       GLN  14   6.801  -1.015   7.315
   82    HB2  GLN  14          1HB       GLN  14   7.844  -2.364   9.806
   83    HB3  GLN  14          2HB       GLN  14   6.635  -3.181   8.826
   84    HG2  GLN  14          1HG       GLN  14   8.977  -3.809   8.230
   85    HG3  GLN  14          2HG       GLN  14   8.006  -3.218   6.885
   86   HE21  GLN  14          1HE2      GLN  14  10.497  -2.075   9.282
   87   HE22  GLN  14          2HE2      GLN  14  11.045  -0.767   8.227
   88    H    ASP  15           H        ASP  15   5.722   0.407  10.230
   89    HA   ASP  15           HA       ASP  15   2.912  -0.442   9.683
   90    HB2  ASP  15          1HB       ASP  15   4.237   0.943  12.031
   91    HB3  ASP  15          2HB       ASP  15   2.487   0.892  11.813
   92    H    ALA  16           H        ALA  16   5.081   2.236   9.140
   93    HA   ALA  16           HA       ALA  16   2.912   4.067   8.308
   94    HB1  ALA  16          1HB       ALA  16   4.976   4.940   9.402
   95    HB2  ALA  16          2HB       ALA  16   5.938   4.317   8.030
   96    HB3  ALA  16          3HB       ALA  16   4.724   5.587   7.769
   97    H    THR  17           H        THR  17   4.853   1.543   6.958
   98    HA   THR  17           HA       THR  17   4.047   2.207   4.182
   99    HB   THR  17           HB       THR  17   5.735  -0.141   5.081
  100    HG1  THR  17          1HG       THR  17   6.767   1.738   5.665
  101   HG21  THR  17          1HG2      THR  17   4.832  -0.313   2.761
  102   HG22  THR  17          2HG2      THR  17   6.584  -0.063   2.752
  103   HG23  THR  17          3HG2      THR  17   5.503   1.288   2.384
  104    H    VAL  18           H        VAL  18   2.499   1.128   3.111
  105    HA   VAL  18           HA       VAL  18   1.122  -1.146   4.479
  106    HB   VAL  18           HB       VAL  18  -0.866  -0.695   3.262
  107   HG11  VAL  18          1HG1      VAL  18  -1.526   1.442   4.218
  108   HG12  VAL  18          2HG1      VAL  18  -0.447   0.607   5.356
  109   HG13  VAL  18          3HG1      VAL  18   0.160   1.952   4.365
  110   HG21  VAL  18          1HG2      VAL  18   0.033   0.184   1.121
  111   HG22  VAL  18          2HG2      VAL  18  -1.197   1.247   1.810
  112   HG23  VAL  18          3HG2      VAL  18   0.515   1.675   1.967
  113    H    TYR  19           H        TYR  19   0.627  -2.955   3.329
  114    HA   TYR  19           HA       TYR  19   2.158  -3.532   0.824
  115    HB2  TYR  19          1HB       TYR  19   2.619  -5.162   2.494
  116    HB3  TYR  19          2HB       TYR  19   0.954  -5.200   3.044
  117    HD1  TYR  19          1HD       TYR  19  -0.805  -6.404   1.783
  118    HD2  TYR  19          2HD       TYR  19   3.340  -6.542   0.591
  119    HE1  TYR  19          1HE       TYR  19  -1.270  -8.411   0.390
  120    HE2  TYR  19          2HE       TYR  19   2.876  -8.570  -0.771
  121    HH   TYR  19           HH       TYR  19   1.301 -10.075  -1.475
  122    H    VAL  20           H        VAL  20   1.053  -4.055  -1.009
  123    HA   VAL  20           HA       VAL  20  -1.930  -4.222  -0.954
  124    HB   VAL  20           HB       VAL  20  -0.336  -2.791  -3.115
  125   HG11  VAL  20          1HG1      VAL  20  -2.431  -3.886  -3.868
  126   HG12  VAL  20          2HG1      VAL  20  -3.325  -3.086  -2.568
  127   HG13  VAL  20          3HG1      VAL  20  -2.601  -2.120  -3.868
  128   HG21  VAL  20          1HG2      VAL  20  -2.081  -1.562  -0.946
  129   HG22  VAL  20          2HG2      VAL  20  -0.316  -1.388  -1.086
  130   HG23  VAL  20          3HG2      VAL  20  -1.361  -0.713  -2.333
  131    H    GLY  21           H        GLY  21  -2.320  -6.300  -1.448
  132    HA2  GLY  21          1HA       GLY  21  -0.682  -7.712  -3.519
  133    HA3  GLY  21          2HA       GLY  21  -1.686  -8.480  -2.297
  134    H    GLY  22           H        GLY  22  -1.653  -8.713  -5.255
  135    HA2  GLY  22          1HA       GLY  22  -3.439  -9.628  -6.526
  136    HA3  GLY  22          2HA       GLY  22  -4.615  -8.712  -5.583
  137    H    LEU  23           H        LEU  23  -1.694  -7.515  -7.269
  138    HA   LEU  23           HA       LEU  23  -3.236  -5.289  -8.395
  139    HB2  LEU  23          1HB       LEU  23  -0.265  -5.964  -8.388
  140    HB3  LEU  23          2HB       LEU  23  -0.954  -4.486  -9.050
  141    HG   LEU  23           HG       LEU  23  -1.062  -5.342  -6.120
  142   HD11  LEU  23          1HD1      LEU  23   0.472  -3.494  -5.763
  143   HD12  LEU  23          2HD1      LEU  23   0.463  -3.101  -7.495
  144   HD13  LEU  23          3HD1      LEU  23   1.158  -4.629  -6.941
  145   HD21  LEU  23          1HD2      LEU  23  -2.252  -2.974  -7.602
  146   HD22  LEU  23          2HD2      LEU  23  -1.810  -2.860  -5.901
  147   HD23  LEU  23          3HD2      LEU  23  -3.011  -4.055  -6.420
  148    H    ASP  24           H        ASP  24  -3.402  -4.752 -10.524
  149    HA   ASP  24           HA       ASP  24  -3.259  -6.953 -12.446
  150    HB2  ASP  24          1HB       ASP  24  -5.248  -5.467 -12.306
  151    HB3  ASP  24          2HB       ASP  24  -4.237  -4.078 -12.702
  152    H    GLU  25           H        GLU  25  -2.226  -6.707 -14.593
  153    HA   GLU  25           HA       GLU  25   0.491  -5.908 -14.470
  154    HB2  GLU  25          1HB       GLU  25   0.571  -6.431 -16.827
  155    HB3  GLU  25          2HB       GLU  25  -0.348  -7.649 -15.947
  156    HG2  GLU  25          1HG       GLU  25  -2.475  -6.612 -16.735
  157    HG3  GLU  25          2HG       GLU  25  -1.551  -5.393 -17.616
  158    H    LYS  26           H        LYS  26  -2.297  -3.915 -15.250
  159    HA   LYS  26           HA       LYS  26  -0.721  -1.768 -16.487
  160    HB2  LYS  26          1HB       LYS  26  -3.595  -1.921 -15.508
  161    HB3  LYS  26          2HB       LYS  26  -2.895  -0.524 -16.333
  162    HG2  LYS  26          1HG       LYS  26  -2.344  -1.921 -18.298
  163    HG3  LYS  26          2HG       LYS  26  -3.073  -3.329 -17.531
  164    HD2  LYS  26          1HD       LYS  26  -4.511  -0.751 -18.281
  165    HD3  LYS  26          2HD       LYS  26  -4.563  -2.257 -19.193
  166    HE2  LYS  26          1HE       LYS  26  -5.650  -1.822 -16.377
  167    HE3  LYS  26          2HE       LYS  26  -6.600  -1.917 -17.862
  168    HZ1  LYS  26          1HZ       LYS  26  -6.655  -4.051 -16.820
  169    HZ2  LYS  26          2HZ       LYS  26  -5.042  -4.106 -16.602
  170    HZ3  LYS  26          3HZ       LYS  26  -5.680  -4.229 -18.119
  171    H    VAL  27           H        VAL  27  -1.035  -2.702 -13.243
  172    HA   VAL  27           HA       VAL  27  -1.012  -0.038 -12.044
  173    HB   VAL  27           HB       VAL  27  -0.401  -2.767 -10.851
  174   HG11  VAL  27          1HG1      VAL  27  -0.811  -1.643  -8.675
  175   HG12  VAL  27          2HG1      VAL  27   0.667  -1.100  -9.452
  176   HG13  VAL  27          3HG1      VAL  27  -0.781  -0.075  -9.484
  177   HG21  VAL  27          1HG2      VAL  27  -2.899  -1.005 -10.736
  178   HG22  VAL  27          2HG2      VAL  27  -2.743  -2.555 -11.590
  179   HG23  VAL  27          3HG2      VAL  27  -2.671  -2.510  -9.831
  180    H    SER  28           H        SER  28   0.678   1.197 -11.378
  181    HA   SER  28           HA       SER  28   3.468   0.158 -11.585
  182    HB2  SER  28          1HB       SER  28   4.155   2.159 -12.753
  183    HB3  SER  28          2HB       SER  28   2.850   1.384 -13.662
  184    HG   SER  28           HG       SER  28   2.446   3.602 -13.506
  185    H    GLU  29           H        GLU  29   5.073   1.522 -10.400
  186    HA   GLU  29           HA       GLU  29   4.256   2.236  -7.769
  187    HB2  GLU  29          1HB       GLU  29   6.708   2.578  -9.465
  188    HB3  GLU  29          2HB       GLU  29   6.554   3.724  -8.135
  189    HG2  GLU  29          1HG       GLU  29   6.521   1.970  -6.500
  190    HG3  GLU  29          2HG       GLU  29   6.302   0.748  -7.718
  191    HA   PRO  30           HA       PRO  30   4.037   6.892  -9.153
  192    HB2  PRO  30          1HB       PRO  30   3.214   6.413 -12.025
  193    HB3  PRO  30          2HB       PRO  30   4.032   7.840 -11.309
  194    HG2  PRO  30          1HG       PRO  30   5.488   6.009 -12.653
  195    HG3  PRO  30          2HG       PRO  30   6.091   6.622 -11.074
  196    HD2  PRO  30          1HD       PRO  30   4.620   4.040 -11.652
  197    HD3  PRO  30          2HD       PRO  30   6.081   4.312 -10.662
  198    H    LEU  31           H        LEU  31   1.898   4.334 -10.508
  199    HA   LEU  31           HA       LEU  31  -0.554   5.844 -10.113
  200    HB2  LEU  31          1HB       LEU  31  -0.371   3.880 -11.671
  201    HB3  LEU  31          2HB       LEU  31  -0.110   2.833 -10.280
  202    HG   LEU  31           HG       LEU  31  -2.391   3.571  -9.377
  203   HD11  LEU  31          1HD1      LEU  31  -3.958   4.463 -11.075
  204   HD12  LEU  31          2HD1      LEU  31  -2.601   4.654 -12.212
  205   HD13  LEU  31          3HD1      LEU  31  -2.666   5.618 -10.713
  206   HD21  LEU  31          1HD2      LEU  31  -2.074   1.417 -10.426
  207   HD22  LEU  31          2HD2      LEU  31  -2.196   2.142 -12.052
  208   HD23  LEU  31          3HD2      LEU  31  -3.608   2.102 -10.973
  209    H    LEU  32           H        LEU  32   1.135   3.271  -8.254
  210    HA   LEU  32           HA       LEU  32  -0.679   3.294  -6.047
  211    HB2  LEU  32          1HB       LEU  32   2.308   2.617  -6.033
  212    HB3  LEU  32          2HB       LEU  32   1.130   2.204  -4.790
  213    HG   LEU  32           HG       LEU  32   1.333   1.069  -7.566
  214   HD11  LEU  32          1HD1      LEU  32   2.776   0.140  -5.788
  215   HD12  LEU  32          2HD1      LEU  32   1.551  -1.028  -6.335
  216   HD13  LEU  32          3HD1      LEU  32   1.329  -0.172  -4.791
  217   HD21  LEU  32          1HD2      LEU  32  -1.023   1.349  -7.238
  218   HD22  LEU  32          2HD2      LEU  32  -0.914   0.834  -5.533
  219   HD23  LEU  32          3HD2      LEU  32  -0.664  -0.339  -6.837
  220    H    TRP  33           H        TRP  33   1.952   5.475  -6.769
  221    HA   TRP  33           HA       TRP  33   1.904   6.750  -4.158
  222    HB2  TRP  33          1HB       TRP  33   3.739   6.779  -5.948
  223    HB3  TRP  33          2HB       TRP  33   2.810   7.998  -6.783
  224    HD1  TRP  33           HD       TRP  33   2.043   9.876  -4.302
  225    HE1  TRP  33          1HE       TRP  33   3.887  11.190  -3.065
  226    HE3  TRP  33          3HE       TRP  33   6.047   7.084  -5.705
  227    HZ2  TRP  33          2HZ       TRP  33   6.773  11.077  -2.805
  228    HZ3  TRP  33          3HZ       TRP  33   8.367   7.704  -4.977
  229    HH2  TRP  33           HH       TRP  33   8.726   9.700  -3.537
  230    H    GLU  34           H        GLU  34   0.786   8.007  -7.317
  231    HA   GLU  34           HA       GLU  34  -0.638  10.184  -6.169
  232    HB2  GLU  34          1HB       GLU  34  -0.925   8.884  -8.914
  233    HB3  GLU  34          2HB       GLU  34  -1.654  10.426  -8.440
  234    HG2  GLU  34          1HG       GLU  34   0.654  11.234  -7.811
  235    HG3  GLU  34          2HG       GLU  34   1.325   9.799  -8.575
  236    H    LEU  35           H        LEU  35  -1.844   6.945  -6.895
  237    HA   LEU  35           HA       LEU  35  -4.641   7.569  -6.520
  238    HB2  LEU  35          1HB       LEU  35  -3.522   5.466  -7.612
  239    HB3  LEU  35          2HB       LEU  35  -3.334   4.887  -5.964
  240    HG   LEU  35           HG       LEU  35  -5.925   5.321  -5.799
  241   HD11  LEU  35          1HD1      LEU  35  -6.152   6.550  -7.925
  242   HD12  LEU  35          2HD1      LEU  35  -7.130   5.075  -7.912
  243   HD13  LEU  35          3HD1      LEU  35  -5.598   5.113  -8.812
  244   HD21  LEU  35          1HD2      LEU  35  -4.807   3.063  -7.502
  245   HD22  LEU  35          2HD2      LEU  35  -6.393   3.077  -6.691
  246   HD23  LEU  35          3HD2      LEU  35  -4.917   3.092  -5.723
  247    H    PHE  36           H        PHE  36  -2.015   6.786  -4.254
  248    HA   PHE  36           HA       PHE  36  -3.869   6.383  -1.993
  249    HB2  PHE  36          1HB       PHE  36  -0.947   5.920  -2.488
  250    HB3  PHE  36          2HB       PHE  36  -1.540   5.975  -0.875
  251    HD1  PHE  36          1HD       PHE  36  -2.432   4.042   0.161
  252    HD2  PHE  36          2HD       PHE  36  -2.197   4.194  -4.133
  253    HE1  PHE  36          1HE       PHE  36  -3.175   1.681   0.038
  254    HE2  PHE  36          2HE       PHE  36  -2.890   1.817  -4.256
  255    HZ   PHE  36           HZ       PHE  36  -3.428   0.570  -2.171
  256    H    LEU  37           H        LEU  37  -2.150   9.047  -3.306
  257    HA   LEU  37           HA       LEU  37  -1.824  10.686  -1.023
  258    HB2  LEU  37          1HB       LEU  37  -2.636  11.283  -3.891
  259    HB3  LEU  37          2HB       LEU  37  -2.343  12.554  -2.710
  260    HG   LEU  37           HG       LEU  37  -0.271  10.551  -3.652
  261   HD11  LEU  37          1HD1      LEU  37   0.758  12.476  -4.737
  262   HD12  LEU  37          2HD1      LEU  37  -0.517  13.548  -4.111
  263   HD13  LEU  37          3HD1      LEU  37  -0.912  12.303  -5.310
  264   HD21  LEU  37          1HD2      LEU  37  -0.060  12.895  -1.723
  265   HD22  LEU  37          2HD2      LEU  37   1.326  12.009  -2.410
  266   HD23  LEU  37          3HD2      LEU  37   0.183  11.178  -1.347
  267    H    GLN  38           H        GLN  38  -4.761   9.506  -2.318
  268    HA   GLN  38           HA       GLN  38  -6.648  11.409  -1.260
  269    HB2  GLN  38          1HB       GLN  38  -6.986   8.396  -1.622
  270    HB3  GLN  38          2HB       GLN  38  -8.278   9.594  -1.457
  271    HG2  GLN  38          1HG       GLN  38  -7.494  10.674  -3.588
  272    HG3  GLN  38          2HG       GLN  38  -6.276   9.390  -3.717
  273   HE21  GLN  38          1HE2      GLN  38  -6.943   7.254  -4.282
  274   HE22  GLN  38          2HE2      GLN  38  -8.579   6.928  -4.877
  275    H    ALA  39           H        ALA  39  -4.933   8.654   0.205
  276    HA   ALA  39           HA       ALA  39  -6.513   8.685   2.663
  277    HB1  ALA  39          1HB       ALA  39  -4.914   7.003   3.404
  278    HB2  ALA  39          2HB       ALA  39  -5.425   6.625   1.744
  279    HB3  ALA  39          3HB       ALA  39  -3.845   7.357   2.036
  280    H    GLY  40           H        GLY  40  -3.210   9.717   1.756
  281    HA2  GLY  40          1HA       GLY  40  -3.092  12.002   3.461
  282    HA3  GLY  40          2HA       GLY  40  -2.321  10.626   4.262
  283    HA   PRO  41           HA       PRO  41   0.729  12.773   1.405
  284    HB2  PRO  41          1HB       PRO  41   2.731  13.231   3.230
  285    HB3  PRO  41          2HB       PRO  41   1.342  14.330   2.974
  286    HG2  PRO  41          1HG       PRO  41   1.625  12.166   5.081
  287    HG3  PRO  41          2HG       PRO  41   1.146  13.876   5.318
  288    HD2  PRO  41          1HD       PRO  41  -0.671  11.865   5.123
  289    HD3  PRO  41          2HD       PRO  41  -1.011  13.447   4.359
  290    H    VAL  42           H        VAL  42   1.394  11.169   0.153
  291    HA   VAL  42           HA       VAL  42   2.793   8.779   1.169
  292    HB   VAL  42           HB       VAL  42   2.124   9.597  -1.675
  293   HG11  VAL  42          1HG1      VAL  42   3.263   7.004  -0.535
  294   HG12  VAL  42          2HG1      VAL  42   2.640   7.196  -2.182
  295   HG13  VAL  42          3HG1      VAL  42   4.063   8.099  -1.684
  296   HG21  VAL  42          1HG2      VAL  42   0.425   7.835  -1.573
  297   HG22  VAL  42          2HG2      VAL  42   0.836   7.504   0.124
  298   HG23  VAL  42          3HG2      VAL  42   0.097   9.052  -0.340
  299    H    VAL  43           H        VAL  43   4.868   8.474   1.156
  300    HA   VAL  43           HA       VAL  43   6.708  10.715   0.446
  301    HB   VAL  43           HB       VAL  43   7.226   8.386   2.332
  302   HG11  VAL  43          1HG1      VAL  43   9.224   9.686   1.724
  303   HG12  VAL  43          2HG1      VAL  43   8.397  11.198   2.182
  304   HG13  VAL  43          3HG1      VAL  43   8.786   9.983   3.413
  305   HG21  VAL  43          1HG2      VAL  43   5.991  11.075   3.050
  306   HG22  VAL  43          2HG2      VAL  43   5.230   9.471   3.184
  307   HG23  VAL  43          3HG2      VAL  43   6.612   9.863   4.199
  308    H    ASN  44           H        ASN  44   6.183   7.261  -0.015
  309    HA   ASN  44           HA       ASN  44   8.148   7.017  -2.164
  310    HB2  ASN  44          1HB       ASN  44   9.658   6.912  -0.286
  311    HB3  ASN  44          2HB       ASN  44   8.584   5.885   0.628
  312   HD21  ASN  44          1HD2      ASN  44   9.637   4.003   0.927
  313   HD22  ASN  44          2HD2      ASN  44  10.410   3.087  -0.378
  314    H    THR  45           H        THR  45   8.101   4.830  -3.114
  315    HA   THR  45           HA       THR  45   5.871   3.017  -2.404
  316    HB   THR  45           HB       THR  45   5.416   2.741  -4.907
  317    HG1  THR  45          1HG       THR  45   7.178   4.138  -5.555
  318   HG21  THR  45          1HG2      THR  45   4.420   5.343  -3.770
  319   HG22  THR  45          2HG2      THR  45   3.777   3.722  -3.386
  320   HG23  THR  45          3HG2      THR  45   3.711   4.306  -5.047
  321    H    HIS  46           H        HIS  46   6.146   0.856  -3.229
  322    HA   HIS  46           HA       HIS  46   8.677   0.271  -4.674
  323    HB2  HIS  46          1HB       HIS  46   9.026   0.115  -2.107
  324    HB3  HIS  46          2HB       HIS  46   7.969  -1.278  -2.167
  325    HD2  HIS  46          2HD       HIS  46  11.468  -0.129  -3.253
  326    HE1  HIS  46          1HE       HIS  46  11.259  -4.303  -4.115
  327    HE2  HIS  46          2HE       HIS  46  12.798  -2.275  -4.017
  328    H    MET  47           H        MET  47   8.394  -1.225  -6.238
  329    HA   MET  47           HA       MET  47   6.215  -3.281  -5.976
  330    HB2  MET  47          1HB       MET  47   6.900  -1.472  -8.295
  331    HB3  MET  47          2HB       MET  47   6.126  -3.034  -8.554
  332    HG2  MET  47          1HG       MET  47   4.961  -1.132  -6.514
  333    HG3  MET  47          2HG       MET  47   4.636  -0.877  -8.212
  334    HE1  MET  47          1HE       MET  47   2.845  -1.957  -9.550
  335    HE2  MET  47          2HE       MET  47   4.045  -3.253  -9.748
  336    HE3  MET  47          3HE       MET  47   2.361  -3.657  -9.335
  337    HA   PRO  48           HA       PRO  48  10.069  -5.660  -6.448
  338    HB2  PRO  48          1HB       PRO  48   8.082  -7.832  -5.757
  339    HB3  PRO  48          2HB       PRO  48   9.778  -7.639  -5.209
  340    HG2  PRO  48          1HG       PRO  48   7.770  -6.898  -3.577
  341    HG3  PRO  48          2HG       PRO  48   9.170  -5.801  -3.778
  342    HD2  PRO  48          1HD       PRO  48   6.470  -5.672  -5.157
  343    HD3  PRO  48          2HD       PRO  48   7.381  -4.359  -4.353
  344    H    LYS  49           H        LYS  49  10.876  -6.943  -8.067
  345    HA   LYS  49           HA       LYS  49   9.101  -7.427 -10.425
  346    HB2  LYS  49          1HB       LYS  49  12.042  -6.643 -10.291
  347    HB3  LYS  49          2HB       LYS  49  11.181  -7.040 -11.770
  348    HG2  LYS  49          1HG       LYS  49  10.649  -4.646  -9.971
  349    HG3  LYS  49          2HG       LYS  49  11.384  -4.665 -11.572
  350    HD2  LYS  49          1HD       LYS  49   9.078  -5.807 -12.284
  351    HD3  LYS  49          2HD       LYS  49   8.498  -5.085 -10.781
  352    HE2  LYS  49          1HE       LYS  49   7.974  -3.552 -12.511
  353    HE3  LYS  49          2HE       LYS  49   9.333  -2.844 -11.630
  354    HZ1  LYS  49          1HZ       LYS  49   9.570  -2.775 -14.102
  355    HZ2  LYS  49          2HZ       LYS  49   9.619  -4.417 -14.152
  356    HZ3  LYS  49          3HZ       LYS  49  10.804  -3.579 -13.402
  357    H    ASP  50           H        ASP  50   9.607  -9.016 -11.896
  358    HA   ASP  50           HA       ASP  50  10.718 -11.529 -10.815
  359    HB2  ASP  50          1HB       ASP  50   8.584 -11.541 -11.982
  360    HB3  ASP  50          2HB       ASP  50   9.318 -10.811 -13.408
  361    H    ARG  51           H        ARG  51  12.579 -12.490 -11.423
  362    HA   ARG  51           HA       ARG  51  14.573 -10.805 -12.717
  363    HB2  ARG  51          1HB       ARG  51  16.199 -12.312 -11.847
  364    HB3  ARG  51          2HB       ARG  51  15.010 -11.929 -10.605
  365    HG2  ARG  51          1HG       ARG  51  13.894 -14.139 -11.009
  366    HG3  ARG  51          2HG       ARG  51  15.090 -14.495 -12.262
  367    HD2  ARG  51          1HD       ARG  51  15.734 -15.633 -10.276
  368    HD3  ARG  51          2HD       ARG  51  16.906 -14.360 -10.573
  369    HE   ARG  51           HE       ARG  51  14.770 -14.401  -8.463
  370   HH11  ARG  51          1HH1      ARG  51  17.750 -12.909  -9.569
  371   HH12  ARG  51          2HH1      ARG  51  17.950 -12.019  -8.085
  372   HH21  ARG  51          1HH2      ARG  51  15.096 -13.239  -6.612
  373   HH22  ARG  51          2HH2      ARG  51  16.487 -12.208  -6.462
  374    H    VAL  52           H        VAL  52  12.436 -12.465 -14.357
  375    HA   VAL  52           HA       VAL  52  14.367 -13.429 -16.445
  376    HB   VAL  52           HB       VAL  52  11.781 -14.831 -15.649
  377   HG11  VAL  52          1HG1      VAL  52  12.612 -16.634 -17.137
  378   HG12  VAL  52          2HG1      VAL  52  12.317 -15.143 -18.026
  379   HG13  VAL  52          3HG1      VAL  52  13.983 -15.606 -17.610
  380   HG21  VAL  52          1HG2      VAL  52  14.676 -15.617 -15.099
  381   HG22  VAL  52          2HG2      VAL  52  13.421 -15.239 -13.893
  382   HG23  VAL  52          3HG2      VAL  52  13.270 -16.686 -14.884
  383    H    THR  53           H        THR  53  11.129 -12.162 -15.679
  384    HA   THR  53           HA       THR  53  10.733 -11.385 -18.535
  385    HB   THR  53           HB       THR  53   8.348 -11.356 -18.038
  386    HG1  THR  53          1HG       THR  53   9.094 -12.349 -15.488
  387   HG21  THR  53          1HG2      THR  53   9.549 -13.985 -17.070
  388   HG22  THR  53          2HG2      THR  53   9.340 -13.513 -18.771
  389   HG23  THR  53          3HG2      THR  53   7.922 -13.723 -17.728
  390    H    GLY  54           H        GLY  54  11.287 -10.122 -15.383
  391    HA2  GLY  54          1HA       GLY  54  11.653  -8.004 -14.682
  392    HA3  GLY  54          2HA       GLY  54  11.449  -7.459 -16.350
  393    H    GLN  55           H        GLN  55   8.689  -9.135 -15.321
  394    HA   GLN  55           HA       GLN  55   7.073  -6.687 -15.107
  395    HB2  GLN  55          1HB       GLN  55   6.203  -9.594 -14.877
  396    HB3  GLN  55          2HB       GLN  55   5.176  -8.189 -15.161
  397    HG2  GLN  55          1HG       GLN  55   7.176  -9.443 -17.077
  398    HG3  GLN  55          2HG       GLN  55   5.432  -9.381 -17.240
  399   HE21  GLN  55          1HE2      GLN  55   8.331  -7.877 -18.217
  400   HE22  GLN  55          2HE2      GLN  55   7.606  -6.379 -18.799
  401    H    HIS  56           H        HIS  56   5.433  -6.493 -13.284
  402    HA   HIS  56           HA       HIS  56   6.824  -6.798 -10.741
  403    HB2  HIS  56          1HB       HIS  56   5.141  -5.562  -9.729
  404    HB3  HIS  56          2HB       HIS  56   5.426  -4.812 -11.290
  405    HD2  HIS  56          2HD       HIS  56   3.236  -4.181 -12.543
  406    HE1  HIS  56          1HE       HIS  56   0.499  -6.779 -10.566
  407    HE2  HIS  56          2HE       HIS  56   0.707  -4.876 -12.224
  408    H    GLN  57           H        GLN  57   6.042  -7.844  -8.876
  409    HA   GLN  57           HA       GLN  57   5.412 -10.607  -9.513
  410    HB2  GLN  57          1HB       GLN  57   6.292  -9.149  -7.007
  411    HB3  GLN  57          2HB       GLN  57   6.027 -10.889  -7.035
  412    HG2  GLN  57          1HG       GLN  57   7.906  -9.588  -9.043
  413    HG3  GLN  57          2HG       GLN  57   8.434  -9.991  -7.427
  414   HE21  GLN  57          1HE2      GLN  57  10.007 -11.381  -8.555
  415   HE22  GLN  57          2HE2      GLN  57   9.470 -13.004  -9.005
  416    H    GLY  58           H        GLY  58   3.143  -8.440  -9.381
  417    HA2  GLY  58          1HA       GLY  58   0.850  -8.739  -9.139
  418    HA3  GLY  58          2HA       GLY  58   1.111 -10.216  -8.213
  419    H    TYR  59           H        TYR  59   3.052  -7.910  -6.787
  420    HA   TYR  59           HA       TYR  59   0.983  -6.598  -5.172
  421    HB2  TYR  59          1HB       TYR  59   1.909  -7.297  -3.058
  422    HB3  TYR  59          2HB       TYR  59   1.407  -8.698  -3.978
  423    HD1  TYR  59          1HD       TYR  59   4.218  -6.971  -2.394
  424    HD2  TYR  59          2HD       TYR  59   3.109 -10.210  -5.021
  425    HE1  TYR  59          1HE       TYR  59   6.431  -8.042  -2.016
  426    HE2  TYR  59          2HE       TYR  59   5.351 -11.239  -4.696
  427    HH   TYR  59           HH       TYR  59   7.825  -9.787  -2.544
  428    H    GLY  60           H        GLY  60   1.766  -4.917  -3.841
  429    HA2  GLY  60          1HA       GLY  60   4.370  -3.633  -4.535
  430    HA3  GLY  60          2HA       GLY  60   2.873  -2.792  -4.872
  431    H    PHE  61           H        PHE  61   4.405  -1.437  -3.311
  432    HA   PHE  61           HA       PHE  61   3.058  -1.475  -0.670
  433    HB2  PHE  61          1HB       PHE  61   6.038  -1.074  -1.097
  434    HB3  PHE  61          2HB       PHE  61   5.200  -0.920   0.426
  435    HD1  PHE  61          1HD       PHE  61   6.475  -3.313  -2.092
  436    HD2  PHE  61          2HD       PHE  61   4.550  -2.863   1.741
  437    HE1  PHE  61          1HE       PHE  61   6.981  -5.682  -1.558
  438    HE2  PHE  61          2HE       PHE  61   5.079  -5.232   2.281
  439    HZ   PHE  61           HZ       PHE  61   6.284  -6.647   0.629
  440    H    VAL  62           H        VAL  62   2.878   0.521   0.359
  441    HA   VAL  62           HA       VAL  62   3.783   2.981  -1.082
  442    HB   VAL  62           HB       VAL  62   0.991   2.697   0.098
  443   HG11  VAL  62          1HG1      VAL  62   0.599   4.823  -1.060
  444   HG12  VAL  62          2HG1      VAL  62   1.886   4.990   0.125
  445   HG13  VAL  62          3HG1      VAL  62   2.284   4.855  -1.610
  446   HG21  VAL  62          1HG2      VAL  62   0.195   2.820  -2.264
  447   HG22  VAL  62          2HG2      VAL  62   1.875   2.578  -2.790
  448   HG23  VAL  62          3HG2      VAL  62   1.019   1.308  -1.888
  449    H    GLU  63           H        GLU  63   4.737   4.421   0.263
  450    HA   GLU  63           HA       GLU  63   4.600   3.901   3.202
  451    HB2  GLU  63          1HB       GLU  63   6.756   3.533   2.044
  452    HB3  GLU  63          2HB       GLU  63   6.753   5.254   1.590
  453    HG2  GLU  63          1HG       GLU  63   6.952   5.969   3.851
  454    HG3  GLU  63          2HG       GLU  63   6.548   4.370   4.479
  455    H    PHE  64           H        PHE  64   3.620   5.297   4.440
  456    HA   PHE  64           HA       PHE  64   2.983   8.025   3.465
  457    HB2  PHE  64          1HB       PHE  64   1.871   6.269   5.677
  458    HB3  PHE  64          2HB       PHE  64   1.464   7.963   5.500
  459    HD1  PHE  64          1HD       PHE  64   0.226   8.817   3.581
  460    HD2  PHE  64          2HD       PHE  64   1.046   4.611   4.012
  461    HE1  PHE  64          1HE       PHE  64  -1.483   8.304   1.842
  462    HE2  PHE  64          2HE       PHE  64  -0.673   4.099   2.280
  463    HZ   PHE  64           HZ       PHE  64  -1.956   5.970   1.222
  464    H    LEU  65           H        LEU  65   3.138   9.825   4.888
  465    HA   LEU  65           HA       LEU  65   5.639  10.132   6.176
  466    HB2  LEU  65          1HB       LEU  65   4.029  11.900   5.205
  467    HB3  LEU  65          2HB       LEU  65   3.131  11.746   6.723
  468    HG   LEU  65           HG       LEU  65   5.311  12.359   7.926
  469   HD11  LEU  65          1HD1      LEU  65   6.903  11.942   6.075
  470   HD12  LEU  65          2HD1      LEU  65   6.963  13.634   6.581
  471   HD13  LEU  65          3HD1      LEU  65   6.097  13.188   5.095
  472   HD21  LEU  65          1HD2      LEU  65   5.015  14.773   7.475
  473   HD22  LEU  65          2HD2      LEU  65   3.452  13.953   7.610
  474   HD23  LEU  65          3HD2      LEU  65   4.085  14.392   6.007
  475    H    SER  66           H        SER  66   2.517   9.145   7.521
  476    HA   SER  66           HA       SER  66   3.819   8.497  10.116
  477    HB2  SER  66          1HB       SER  66   1.172   9.975   9.926
  478    HB3  SER  66          2HB       SER  66   2.048   9.508  11.389
  479    HG   SER  66           HG       SER  66   2.352  11.720  10.850
  480    H    GLU  67           H        GLU  67   2.720   6.953  11.378
  481    HA   GLU  67           HA       GLU  67   1.610   4.752   9.959
  482    HB2  GLU  67          1HB       GLU  67   2.911   4.588  11.962
  483    HB3  GLU  67          2HB       GLU  67   1.722   5.474  12.903
  484    HG2  GLU  67          1HG       GLU  67   1.072   2.836  11.529
  485    HG3  GLU  67          2HG       GLU  67   1.889   2.873  13.083
  486    H    GLU  68           H        GLU  68  -0.063   7.375  11.728
  487    HA   GLU  68           HA       GLU  68  -2.659   6.156  11.604
  488    HB2  GLU  68          1HB       GLU  68  -3.521   8.322  12.239
  489    HB3  GLU  68          2HB       GLU  68  -2.098   7.918  13.196
  490    HG2  GLU  68          1HG       GLU  68  -0.715   9.407  11.721
  491    HG3  GLU  68          2HG       GLU  68  -2.175   9.845  10.830
  492    H    ASP  69           H        ASP  69  -0.835   7.894   9.176
  493    HA   ASP  69           HA       ASP  69  -3.139   8.324   7.389
  494    HB2  ASP  69          1HB       ASP  69  -0.136   8.630   7.043
  495    HB3  ASP  69          2HB       ASP  69  -1.290   8.937   5.763
  496    H    ALA  70           H        ALA  70  -0.601   5.863   7.894
  497    HA   ALA  70           HA       ALA  70  -1.228   4.346   5.491
  498    HB1  ALA  70          1HB       ALA  70   0.193   3.608   8.095
  499    HB2  ALA  70          2HB       ALA  70   0.204   2.643   6.615
  500    HB3  ALA  70          3HB       ALA  70   0.957   4.250   6.630
  501    H    ASP  71           H        ASP  71  -2.145   4.093   8.957
  502    HA   ASP  71           HA       ASP  71  -3.800   1.806   8.729
  503    HB2  ASP  71          1HB       ASP  71  -2.815   3.071  10.786
  504    HB3  ASP  71          2HB       ASP  71  -4.307   4.012  10.725
  505    H    TYR  72           H        TYR  72  -4.503   5.155   7.950
  506    HA   TYR  72           HA       TYR  72  -7.384   4.731   7.562
  507    HB2  TYR  72          1HB       TYR  72  -6.382   6.919   8.239
  508    HB3  TYR  72          2HB       TYR  72  -5.572   7.002   6.673
  509    HD1  TYR  72          1HD       TYR  72  -6.683   8.013   4.857
  510    HD2  TYR  72          2HD       TYR  72  -8.993   6.622   8.215
  511    HE1  TYR  72          1HE       TYR  72  -8.746   8.989   3.838
  512    HE2  TYR  72          2HE       TYR  72 -11.055   7.591   7.202
  513    HH   TYR  72           HH       TYR  72 -11.947   8.748   5.436
  514    H    ALA  73           H        ALA  73  -4.450   4.702   5.468
  515    HA   ALA  73           HA       ALA  73  -5.889   4.689   2.981
  516    HB1  ALA  73          1HB       ALA  73  -3.155   3.495   3.607
  517    HB2  ALA  73          2HB       ALA  73  -3.785   3.999   2.020
  518    HB3  ALA  73          3HB       ALA  73  -3.458   5.212   3.273
  519    H    ILE  74           H        ILE  74  -4.798   2.116   5.149
  520    HA   ILE  74           HA       ILE  74  -5.701  -0.181   3.742
  521    HB   ILE  74           HB       ILE  74  -5.453   0.448   6.711
  522   HG12  ILE  74          1HG1      ILE  74  -3.611  -1.222   4.964
  523   HG13  ILE  74          2HG1      ILE  74  -3.408   0.528   5.128
  524   HG21  ILE  74          1HG2      ILE  74  -6.962  -1.462   6.531
  525   HG22  ILE  74          2HG2      ILE  74  -5.887  -2.250   5.361
  526   HG23  ILE  74          3HG2      ILE  74  -5.392  -2.045   7.054
  527   HD11  ILE  74          1HD1      ILE  74  -3.032   0.327   7.495
  528   HD12  ILE  74          2HD1      ILE  74  -3.275  -1.437   7.436
  529   HD13  ILE  74          3HD1      ILE  74  -1.906  -0.683   6.598
  530    H    LYS  75           H        LYS  75  -7.509   2.071   5.842
  531    HA   LYS  75           HA       LYS  75  -9.955   0.548   5.903
  532    HB2  LYS  75          1HB       LYS  75  -9.365   2.159   7.619
  533    HB3  LYS  75          2HB       LYS  75  -9.370   3.489   6.460
  534    HG2  LYS  75          1HG       LYS  75 -11.736   3.321   6.111
  535    HG3  LYS  75          2HG       LYS  75 -11.820   1.817   7.051
  536    HD2  LYS  75          1HD       LYS  75 -11.121   3.064   9.086
  537    HD3  LYS  75          2HD       LYS  75 -11.027   4.564   8.133
  538    HE2  LYS  75          1HE       LYS  75 -13.441   4.371   7.589
  539    HE3  LYS  75          2HE       LYS  75 -13.538   2.864   8.509
  540    HZ1  LYS  75          1HZ       LYS  75 -14.287   4.754   9.834
  541    HZ2  LYS  75          2HZ       LYS  75 -12.855   5.518   9.664
  542    HZ3  LYS  75          3HZ       LYS  75 -12.945   4.122  10.512
  543    H    ILE  76           H        ILE  76  -8.788   3.028   3.621
  544    HA   ILE  76           HA       ILE  76 -11.414   2.996   2.251
  545    HB   ILE  76           HB       ILE  76 -10.628   4.946   1.063
  546   HG12  ILE  76          1HG1      ILE  76  -8.148   5.024   2.799
  547   HG13  ILE  76          2HG1      ILE  76  -8.135   4.294   1.202
  548   HG21  ILE  76          1HG2      ILE  76 -10.243   5.235   4.079
  549   HG22  ILE  76          2HG2      ILE  76 -10.747   6.498   2.943
  550   HG23  ILE  76          3HG2      ILE  76 -11.815   5.126   3.257
  551   HD11  ILE  76          1HD1      ILE  76  -9.054   6.451   0.280
  552   HD12  ILE  76          2HD1      ILE  76  -8.747   7.169   1.889
  553   HD13  ILE  76          3HD1      ILE  76  -7.411   6.511   0.916
  554    H    MET  77           H        MET  77  -8.298   1.623   1.638
  555    HA   MET  77           HA       MET  77  -8.913   1.256  -1.263
  556    HB2  MET  77          1HB       MET  77  -6.421   1.027   0.385
  557    HB3  MET  77          2HB       MET  77  -6.455   0.602  -1.316
  558    HG2  MET  77          1HG       MET  77  -7.485   3.317  -0.540
  559    HG3  MET  77          2HG       MET  77  -5.757   3.028  -0.556
  560    HE1  MET  77          1HE       MET  77  -5.135   4.637  -2.129
  561    HE2  MET  77          2HE       MET  77  -5.761   4.881  -3.761
  562    HE3  MET  77          3HE       MET  77  -6.764   5.320  -2.362
  563    H    ASP  78           H        ASP  78  -9.408  -0.655   1.444
  564    HA   ASP  78           HA       ASP  78  -8.257  -3.122   0.354
  565    HB2  ASP  78          1HB       ASP  78  -8.172  -2.663   2.741
  566    HB3  ASP  78          2HB       ASP  78  -9.940  -2.733   2.836
  567    H    MET  79           H        MET  79  -9.197  -4.896  -0.447
  568    HA   MET  79           HA       MET  79 -10.498  -6.159  -1.670
  569    HB2  MET  79          1HB       MET  79 -11.742  -6.140   0.585
  570    HB3  MET  79          2HB       MET  79 -12.992  -5.223  -0.260
  571    HG2  MET  79          1HG       MET  79 -13.242  -7.062  -1.888
  572    HG3  MET  79          2HG       MET  79 -11.903  -7.935  -1.147
  573    HE1  MET  79          1HE       MET  79 -12.361  -7.823   1.981
  574    HE2  MET  79          2HE       MET  79 -13.356  -9.279   2.181
  575    HE3  MET  79          3HE       MET  79 -11.998  -9.285   1.035
  576    H    ILE  80           H        ILE  80 -10.134  -3.264  -2.463
  577    HA   ILE  80           HA       ILE  80 -12.390  -2.721  -4.251
  578    HB   ILE  80           HB       ILE  80 -10.011  -1.265  -3.151
  579   HG12  ILE  80          1HG1      ILE  80 -12.948  -0.511  -3.394
  580   HG13  ILE  80          2HG1      ILE  80 -12.353  -1.515  -2.089
  581   HG21  ILE  80          1HG2      ILE  80  -9.869  -0.637  -5.487
  582   HG22  ILE  80          2HG2      ILE  80 -11.607  -0.220  -5.509
  583   HG23  ILE  80          3HG2      ILE  80 -10.451   0.701  -4.506
  584   HD11  ILE  80          1HD1      ILE  80 -12.547   0.786  -1.345
  585   HD12  ILE  80          2HD1      ILE  80 -10.867   0.235  -1.305
  586   HD13  ILE  80          3HD1      ILE  80 -11.412   1.329  -2.596
  587    H    LYS  81           H        LYS  81 -12.322  -2.511  -6.472
  588    HA   LYS  81           HA       LYS  81 -10.479  -4.485  -7.672
  589    HB2  LYS  81          1HB       LYS  81 -13.151  -3.405  -8.600
  590    HB3  LYS  81          2HB       LYS  81 -12.178  -4.635  -9.438
  591    HG2  LYS  81          1HG       LYS  81 -12.279  -6.041  -7.328
  592    HG3  LYS  81          2HG       LYS  81 -13.422  -4.866  -6.665
  593    HD2  LYS  81          1HD       LYS  81 -14.818  -6.536  -7.501
  594    HD3  LYS  81          2HD       LYS  81 -14.839  -5.325  -8.792
  595    HE2  LYS  81          1HE       LYS  81 -12.961  -6.670  -9.906
  596    HE3  LYS  81          2HE       LYS  81 -13.200  -7.902  -8.667
  597    HZ1  LYS  81          1HZ       LYS  81 -14.461  -8.418 -10.676
  598    HZ2  LYS  81          2HZ       LYS  81 -15.288  -7.014 -10.589
  599    HZ3  LYS  81          3HZ       LYS  81 -15.495  -8.158  -9.442
  600    H    LEU  82           H        LEU  82  -8.777  -2.816  -7.565
  601    HA   LEU  82           HA       LEU  82  -8.690  -0.669  -9.447
  602    HB2  LEU  82          1HB       LEU  82  -7.082  -0.985  -7.547
  603    HB3  LEU  82          2HB       LEU  82  -6.408  -2.391  -8.362
  604    HG   LEU  82           HG       LEU  82  -5.548  -0.977 -10.175
  605   HD11  LEU  82          1HD1      LEU  82  -5.631   1.519  -9.940
  606   HD12  LEU  82          2HD1      LEU  82  -6.809   1.332  -8.626
  607   HD13  LEU  82          3HD1      LEU  82  -7.209   0.818 -10.284
  608   HD21  LEU  82          1HD2      LEU  82  -4.902   0.144  -7.410
  609   HD22  LEU  82          2HD2      LEU  82  -3.879   0.271  -8.855
  610   HD23  LEU  82          3HD2      LEU  82  -4.189  -1.315  -8.129
  611    H    TYR  83           H        TYR  83  -8.522  -0.721 -11.713
  612    HA   TYR  83           HA       TYR  83  -9.045  -1.736 -13.689
  613    HB2  TYR  83          1HB       TYR  83  -6.443  -3.171 -13.133
  614    HB3  TYR  83          2HB       TYR  83  -7.161  -2.904 -14.710
  615    HD1  TYR  83          1HD       TYR  83  -7.759  -0.302 -15.227
  616    HD2  TYR  83          2HD       TYR  83  -4.689  -1.750 -12.568
  617    HE1  TYR  83          1HE       TYR  83  -6.484   1.811 -15.547
  618    HE2  TYR  83          2HE       TYR  83  -3.399   0.349 -12.917
  619    HH   TYR  83           HH       TYR  83  -4.590   2.991 -15.026
  620    H    GLY  84           H        GLY  84 -10.420  -3.256 -11.549
  621    HA2  GLY  84          1HA       GLY  84 -12.003  -4.924 -11.794
  622    HA3  GLY  84          2HA       GLY  84 -11.208  -5.504 -13.244
  623    H    LYS  85           H        LYS  85  -9.115  -5.379 -10.459
  624    HA   LYS  85           HA       LYS  85  -9.507  -8.225  -9.790
  625    HB2  LYS  85          1HB       LYS  85  -6.905  -6.763 -10.329
  626    HB3  LYS  85          2HB       LYS  85  -6.995  -8.269  -9.401
  627    HG2  LYS  85          1HG       LYS  85  -8.022  -9.443 -11.293
  628    HG3  LYS  85          2HG       LYS  85  -8.039  -7.948 -12.238
  629    HD2  LYS  85          1HD       LYS  85  -5.531  -7.872 -12.108
  630    HD3  LYS  85          2HD       LYS  85  -5.555  -9.372 -11.179
  631    HE2  LYS  85          1HE       LYS  85  -5.016  -9.947 -13.433
  632    HE3  LYS  85          2HE       LYS  85  -6.652 -10.530 -13.112
  633    HZ1  LYS  85          1HZ       LYS  85  -5.992  -7.999 -14.547
  634    HZ2  LYS  85          2HZ       LYS  85  -7.503  -8.588 -14.318
  635    HZ3  LYS  85          3HZ       LYS  85  -6.451  -9.391 -15.276
  636    HA   PRO  86           HA       PRO  86 -10.140  -5.962  -6.000
  637    HB2  PRO  86          1HB       PRO  86 -10.731  -8.043  -4.302
  638    HB3  PRO  86          2HB       PRO  86 -11.837  -7.409  -5.558
  639    HG2  PRO  86          1HG       PRO  86 -10.012  -9.814  -5.724
  640    HG3  PRO  86          2HG       PRO  86 -11.728  -9.680  -6.225
  641    HD2  PRO  86          1HD       PRO  86  -9.673  -9.460  -8.010
  642    HD3  PRO  86          2HD       PRO  86 -11.133  -8.438  -8.193
  643    H    ILE  87           H        ILE  87  -8.448  -4.962  -5.092
  644    HA   ILE  87           HA       ILE  87  -6.033  -6.412  -4.397
  645    HB   ILE  87           HB       ILE  87  -4.991  -4.365  -3.974
  646   HG12  ILE  87          1HG1      ILE  87  -7.727  -3.041  -3.946
  647   HG13  ILE  87          2HG1      ILE  87  -6.589  -3.192  -2.616
  648   HG21  ILE  87          1HG2      ILE  87  -6.841  -3.927  -6.350
  649   HG22  ILE  87          2HG2      ILE  87  -5.199  -3.297  -6.134
  650   HG23  ILE  87          3HG2      ILE  87  -5.454  -5.033  -6.337
  651   HD11  ILE  87          1HD1      ILE  87  -4.970  -1.761  -3.867
  652   HD12  ILE  87          2HD1      ILE  87  -6.224  -1.490  -5.103
  653   HD13  ILE  87          3HD1      ILE  87  -6.484  -0.943  -3.442
  654    H    ARG  88           H        ARG  88  -5.076  -6.627  -2.391
  655    HA   ARG  88           HA       ARG  88  -6.851  -6.346   0.024
  656    HB2  ARG  88          1HB       ARG  88  -5.240  -8.641  -0.996
  657    HB3  ARG  88          2HB       ARG  88  -5.010  -8.273   0.704
  658    HG2  ARG  88          1HG       ARG  88  -6.748  -9.956   0.388
  659    HG3  ARG  88          2HG       ARG  88  -7.337  -8.520   1.207
  660    HD2  ARG  88          1HD       ARG  88  -9.005  -9.379  -0.366
  661    HD3  ARG  88          2HD       ARG  88  -8.497  -7.755  -0.786
  662    HE   ARG  88           HE       ARG  88  -7.762  -8.527  -2.828
  663   HH11  ARG  88          1HH1      ARG  88  -7.975 -11.403  -0.817
  664   HH12  ARG  88          2HH1      ARG  88  -7.672 -12.448  -2.177
  665   HH21  ARG  88          1HH2      ARG  88  -7.467  -9.854  -4.442
  666   HH22  ARG  88          2HH2      ARG  88  -7.361 -11.590  -4.204
  667    H    VAL  89           H        VAL  89  -6.152  -5.104   1.600
  668    HA   VAL  89           HA       VAL  89  -3.352  -4.072   1.442
  669    HB   VAL  89           HB       VAL  89  -5.775  -2.365   2.074
  670   HG11  VAL  89          1HG1      VAL  89  -2.929  -1.644   1.227
  671   HG12  VAL  89          2HG1      VAL  89  -4.239  -0.504   1.606
  672   HG13  VAL  89          3HG1      VAL  89  -3.551  -1.522   2.869
  673   HG21  VAL  89          1HG2      VAL  89  -4.291  -2.722  -0.558
  674   HG22  VAL  89          2HG2      VAL  89  -6.008  -3.075  -0.261
  675   HG23  VAL  89          3HG2      VAL  89  -5.438  -1.408  -0.223
  676    H    ASN  90           H        ASN  90  -2.224  -3.797   3.242
  677    HA   ASN  90           HA       ASN  90  -3.369  -3.649   5.922
  678    HB2  ASN  90          1HB       ASN  90  -2.207  -5.740   6.744
  679    HB3  ASN  90          2HB       ASN  90  -3.576  -6.030   5.694
  680   HD21  ASN  90          1HD2      ASN  90   0.053  -6.009   5.725
  681   HD22  ASN  90          2HD2      ASN  90   0.132  -7.158   4.401
  682    H    LYS  91           H        LYS  91  -1.485  -3.668   7.623
  683    HA   LYS  91           HA       LYS  91   0.612  -1.818   6.901
  684    HB2  LYS  91          1HB       LYS  91   0.747  -3.794   9.205
  685    HB3  LYS  91          2HB       LYS  91   1.548  -2.244   9.079
  686    HG2  LYS  91          1HG       LYS  91  -1.452  -2.674   9.411
  687    HG3  LYS  91          2HG       LYS  91  -0.337  -2.314  10.707
  688    HD2  LYS  91          1HD       LYS  91  -0.222  -0.325   8.504
  689    HD3  LYS  91          2HD       LYS  91  -1.814  -0.470   9.253
  690    HE2  LYS  91          1HE       LYS  91   0.685  -0.046  10.895
  691    HE3  LYS  91          2HE       LYS  91  -0.249   1.282  10.200
  692    HZ1  LYS  91          1HZ       LYS  91  -1.238  -0.679  12.197
  693    HZ2  LYS  91          2HZ       LYS  91  -2.230   0.357  11.390
  694    HZ3  LYS  91          3HZ       LYS  91  -1.075   0.956  12.360
  695    H    ALA  92           H        ALA  92   2.798  -2.176   6.332
  696    HA   ALA  92           HA       ALA  92   3.131  -4.300   4.523
  697    HB1  ALA  92          1HB       ALA  92   5.217  -2.450   5.740
  698    HB2  ALA  92          2HB       ALA  92   5.445  -3.442   4.287
  699    HB3  ALA  92          3HB       ALA  92   4.235  -2.151   4.284
  700    H    SER  93           H        SER  93   4.214  -4.178   7.889
  701    HA   SER  93           HA       SER  93   4.681  -7.118   7.731
  702    HB2  SER  93          1HB       SER  93   6.522  -5.298   9.315
  703    HB3  SER  93          2HB       SER  93   6.606  -7.055   9.177
  704    HG   SER  93           HG       SER  93   6.985  -6.766   6.904
  705    H    ALA  94           H        ALA  94   2.311  -6.447   8.369
  706    HA   ALA  94           HA       ALA  94   1.588  -5.428  10.833
  707    HB1  ALA  94          1HB       ALA  94  -0.534  -6.617  10.496
  708    HB2  ALA  94          2HB       ALA  94   0.048  -5.971   8.950
  709    HB3  ALA  94          3HB       ALA  94   0.232  -7.698   9.314
  710    H    HIS  95           H        HIS  95   1.151  -6.152  12.874
  711    HA   HIS  95           HA       HIS  95   1.962  -8.875  13.729
  712    HB2  HIS  95          1HB       HIS  95   3.356  -7.866  15.541
  713    HB3  HIS  95          2HB       HIS  95   4.003  -7.659  13.919
  714    HD2  HIS  95          2HD       HIS  95   3.934  -5.195  12.830
  715    HE1  HIS  95          1HE       HIS  95   3.006  -3.050  16.384
  716    HE2  HIS  95          2HE       HIS  95   3.762  -2.826  13.946
  717    H    ASN  96           H        ASN  96   0.963  -9.642  15.521
  718    HA   ASN  96           HA       ASN  96  -0.723  -7.908  17.212
  719    HB2  ASN  96          1HB       ASN  96  -1.965  -8.612  15.037
  720    HB3  ASN  96          2HB       ASN  96  -1.960 -10.248  15.688
  721   HD21  ASN  96          1HD2      ASN  96  -2.741  -6.881  16.734
  722   HD22  ASN  96          2HD2      ASN  96  -4.312  -7.321  17.400
  723    H    LYS  97           H        LYS  97   1.581 -10.074  17.374
  724    HA   LYS  97           HA       LYS  97   0.363 -12.272  18.855
  725    HB2  LYS  97          1HB       LYS  97   2.190 -12.552  17.200
  726    HB3  LYS  97          2HB       LYS  97   3.289 -11.667  18.266
  727    HG2  LYS  97          1HG       LYS  97   3.053 -13.421  19.993
  728    HG3  LYS  97          2HG       LYS  97   1.861 -14.271  18.985
  729    HD2  LYS  97          1HD       LYS  97   3.591 -14.607  17.236
  730    HD3  LYS  97          2HD       LYS  97   4.776 -13.743  18.239
  731    HE2  LYS  97          1HE       LYS  97   4.489 -15.442  20.033
  732    HE3  LYS  97          2HE       LYS  97   3.309 -16.301  19.035
  733    HZ1  LYS  97          1HZ       LYS  97   6.163 -15.884  18.313
  734    HZ2  LYS  97          2HZ       LYS  97   5.071 -16.677  17.390
  735    HZ3  LYS  97          3HZ       LYS  97   5.519 -17.287  18.835
  736    H    ASN  98           H        ASN  98   0.470 -12.786  20.937
  737    HA   ASN  98           HA       ASN  98   2.260 -11.434  22.819
  738    HB2  ASN  98          1HB       ASN  98   0.557 -10.849  24.415
  739    HB3  ASN  98          2HB       ASN  98   0.157 -10.071  22.896
  740   HD21  ASN  98          1HD2      ASN  98  -1.187 -11.763  25.460
  741   HD22  ASN  98          2HD2      ASN  98  -2.614 -12.353  24.614
  742    H    LEU  99           H        LEU  99   2.661 -12.681  24.722
  743    HA   LEU  99           HA       LEU  99   2.484 -15.549  24.288
  744    HB2  LEU  99          1HB       LEU  99   4.438 -14.304  25.155
  745    HB3  LEU  99          2HB       LEU  99   3.584 -13.963  26.653
  746    HG   LEU  99           HG       LEU  99   4.092 -16.812  25.681
  747   HD11  LEU  99          1HD1      LEU  99   6.109 -16.819  27.100
  748   HD12  LEU  99          2HD1      LEU  99   5.878 -15.091  27.453
  749   HD13  LEU  99          3HD1      LEU  99   6.251 -15.631  25.800
  750   HD21  LEU  99          1HD2      LEU  99   4.057 -17.311  28.144
  751   HD22  LEU  99          2HD2      LEU  99   2.513 -16.717  27.562
  752   HD23  LEU  99          3HD2      LEU  99   3.594 -15.625  28.456
  753    H    SER 100           H        SER 100   1.093 -13.322  26.705
  754    HA   SER 100           HA       SER 100  -1.280 -15.002  27.052
  755    HB2  SER 100          1HB       SER 100   0.479 -15.878  28.687
  756    HB3  SER 100          2HB       SER 100   0.380 -14.308  29.507
  757    HG   SER 100           HG       SER 100  -1.037 -15.928  30.392
  758    H    GLY 101           H        GLY 101  -2.711 -13.857  28.818
  759    HA2  GLY 101          1HA       GLY 101  -3.026 -11.008  28.106
  760    HA3  GLY 101          2HA       GLY 101  -4.103 -11.973  29.112
  761    HA   PRO 102           HA       PRO 102  -1.290  -9.255  31.821
  762    HB2  PRO 102          1HB       PRO 102  -3.035  -7.306  32.597
  763    HB3  PRO 102          2HB       PRO 102  -2.088  -7.211  31.080
  764    HG2  PRO 102          1HG       PRO 102  -4.951  -8.170  31.427
  765    HG3  PRO 102          2HG       PRO 102  -4.323  -6.975  30.247
  766    HD2  PRO 102          1HD       PRO 102  -4.696  -9.593  29.586
  767    HD3  PRO 102          2HD       PRO 102  -3.314  -8.660  28.937
  768    H    SER 103           H        SER 103  -1.367  -9.205  34.119
  769    HA   SER 103           HA       SER 103  -2.851 -11.311  35.381
  770    HB2  SER 103          1HB       SER 103  -1.272  -9.050  36.662
  771    HB3  SER 103          2HB       SER 103  -1.752 -10.567  37.440
  772    HG   SER 103           HG       SER 103  -0.426 -11.694  35.975
  773    H    SER 104           H        SER 104  -4.445 -11.275  36.970
  774    HA   SER 104           HA       SER 104  -6.499  -9.288  36.774
  775    HB2  SER 104          1HB       SER 104  -6.116 -11.462  38.865
  776    HB3  SER 104          2HB       SER 104  -7.613 -10.567  38.540
  777    HG   SER 104           HG       SER 104  -7.570 -12.603  37.470
  778    H    GLY 105           H        GLY 105  -7.335  -7.871  38.322
  779    HA2  GLY 105          1HA       GLY 105  -5.474  -6.352  39.944
  780    HA3  GLY 105          2HA       GLY 105  -7.219  -6.123  39.843
  Start of MODEL   17
    1    H1   GLY   1          1H        GLY   1  16.160   2.003  25.041
    2    H2   GLY   1          2H        GLY   1  14.830   2.953  24.920
    3    H3   GLY   1          3H        GLY   1  16.317   3.632  25.047
    4    HA2  GLY   1          1HA       GLY   1  15.367   2.016  22.771
    5    HA3  GLY   1          2HA       GLY   1  15.519   3.782  22.777
    6    H    SER   2           H        SER   2  16.801   2.179  20.877
    7    HA   SER   2           HA       SER   2  19.605   1.768  21.572
    8    HB2  SER   2          1HB       SER   2  19.816   1.234  19.148
    9    HB3  SER   2          2HB       SER   2  18.601   0.274  20.004
   10    HG   SER   2           HG       SER   2  17.825   1.057  17.986
   11    H    SER   3           H        SER   3  21.378   2.755  20.374
   12    HA   SER   3           HA       SER   3  21.304   5.646  20.470
   13    HB2  SER   3          1HB       SER   3  23.300   4.382  21.086
   14    HB3  SER   3          2HB       SER   3  23.434   3.737  19.437
   15    HG   SER   3           HG       SER   3  24.760   5.637  19.937
   16    H    GLY   4           H        GLY   4  21.466   7.156  18.835
   17    HA2  GLY   4          1HA       GLY   4  20.306   6.627  16.242
   18    HA3  GLY   4          2HA       GLY   4  21.068   8.126  16.781
   19    H    SER   5           H        SER   5  23.543   6.223  17.393
   20    HA   SER   5           HA       SER   5  24.896   6.621  14.840
   21    HB2  SER   5          1HB       SER   5  25.866   5.334  17.413
   22    HB3  SER   5          2HB       SER   5  26.876   5.793  16.030
   23    HG   SER   5           HG       SER   5  26.866   7.398  17.681
   24    H    SER   6           H        SER   6  22.757   4.246  15.528
   25    HA   SER   6           HA       SER   6  24.175   1.824  14.981
   26    HB2  SER   6          1HB       SER   6  21.940   0.845  14.764
   27    HB3  SER   6          2HB       SER   6  22.049   1.903  16.181
   28    HG   SER   6           HG       SER   6  20.137   2.312  15.021
   29    H    GLY   7           H        GLY   7  22.949   4.247  12.770
   30    HA2  GLY   7          1HA       GLY   7  24.259   3.211  10.497
   31    HA3  GLY   7          2HA       GLY   7  22.589   2.635  10.435
   32    HA   PRO   8           HA       PRO   8  23.041   6.836   8.416
   33    HB2  PRO   8          1HB       PRO   8  21.416   5.427   6.302
   34    HB3  PRO   8          2HB       PRO   8  22.761   6.592   6.103
   35    HG2  PRO   8          1HG       PRO   8  23.208   3.951   5.751
   36    HG3  PRO   8          2HG       PRO   8  24.381   4.924   6.701
   37    HD2  PRO   8          1HD       PRO   8  22.135   3.163   7.736
   38    HD3  PRO   8          2HD       PRO   8  23.849   3.218   8.244
   39    H    ILE   9           H        ILE   9  20.220   4.851   9.067
   40    HA   ILE   9           HA       ILE   9  18.599   7.241   9.654
   41    HB   ILE   9           HB       ILE   9  17.999   6.852   7.389
   42   HG12  ILE   9          1HG1      ILE   9  15.759   5.741   9.113
   43   HG13  ILE   9          2HG1      ILE   9  16.235   7.446   9.050
   44   HG21  ILE   9          1HG2      ILE   9  17.228   3.971   8.038
   45   HG22  ILE   9          2HG2      ILE   9  17.106   4.784   6.470
   46   HG23  ILE   9          3HG2      ILE   9  18.689   4.452   7.150
   47   HD11  ILE   9          1HD1      ILE   9  15.086   5.799   6.762
   48   HD12  ILE   9          2HD1      ILE   9  14.309   7.121   7.644
   49   HD13  ILE   9          3HD1      ILE   9  15.705   7.462   6.601
   50    H    SER  10           H        SER  10  17.677   7.064  11.549
   51    HA   SER  10           HA       SER  10  17.043   4.400  12.736
   52    HB2  SER  10          1HB       SER  10  16.984   7.155  14.010
   53    HB3  SER  10          2HB       SER  10  16.780   5.602  14.835
   54    HG   SER  10           HG       SER  10  18.927   5.067  14.205
   55    H    GLU  11           H        GLU  11  15.475   6.986  11.099
   56    HA   GLU  11           HA       GLU  11  12.844   6.605  12.333
   57    HB2  GLU  11          1HB       GLU  11  13.928   8.806  11.574
   58    HB3  GLU  11          2HB       GLU  11  13.499   8.334   9.931
   59    HG2  GLU  11          1HG       GLU  11  11.094   8.281  10.594
   60    HG3  GLU  11          2HG       GLU  11  11.544   8.597  12.268
   61    H    ARG  12           H        ARG  12  13.875   4.273  11.172
   62    HA   ARG  12           HA       ARG  12  12.785   3.821   8.502
   63    HB2  ARG  12          1HB       ARG  12  13.888   1.659   8.640
   64    HB3  ARG  12          2HB       ARG  12  14.964   2.999   9.020
   65    HG2  ARG  12          1HG       ARG  12  14.792   2.492  11.449
   66    HG3  ARG  12          2HG       ARG  12  13.641   1.198  11.103
   67    HD2  ARG  12          1HD       ARG  12  15.728   0.159  11.427
   68    HD3  ARG  12          2HD       ARG  12  15.398   0.084   9.691
   69    HE   ARG  12           HE       ARG  12  16.993   2.420  10.453
   70   HH11  ARG  12          1HH1      ARG  12  19.048   2.581   9.985
   71   HH12  ARG  12          2HH1      ARG  12  19.995   1.200   9.443
   72   HH21  ARG  12          1HH2      ARG  12  19.029  -0.801   9.289
   73   HH22  ARG  12          2HH2      ARG  12  17.345  -0.991   9.695
   74    H    ASN  13           H        ASN  13  10.663   4.474   9.962
   75    HA   ASN  13           HA       ASN  13   9.288   2.331  11.278
   76    HB2  ASN  13          1HB       ASN  13   8.896   4.718  11.713
   77    HB3  ASN  13          2HB       ASN  13   8.240   4.934  10.087
   78   HD21  ASN  13          1HD2      ASN  13   6.668   5.727  12.157
   79   HD22  ASN  13          2HD2      ASN  13   5.374   4.561  12.403
   80    H    GLN  14           H        GLN  14   8.823   0.479  10.257
   81    HA   GLN  14           HA       GLN  14   7.910   0.403   7.485
   82    HB2  GLN  14          1HB       GLN  14   9.530  -1.219   8.572
   83    HB3  GLN  14          2HB       GLN  14   8.173  -1.856   9.493
   84    HG2  GLN  14          1HG       GLN  14   8.596  -3.298   7.610
   85    HG3  GLN  14          2HG       GLN  14   7.052  -2.512   7.353
   86   HE21  GLN  14          1HE2      GLN  14   7.660  -3.400   5.078
   87   HE22  GLN  14          2HE2      GLN  14   8.572  -2.295   4.059
   88    H    ASP  15           H        ASP  15   6.276   0.536  10.585
   89    HA   ASP  15           HA       ASP  15   3.747  -0.603   9.648
   90    HB2  ASP  15          1HB       ASP  15   4.565   1.052  12.058
   91    HB3  ASP  15          2HB       ASP  15   2.880   0.702  11.695
   92    H    ALA  16           H        ALA  16   5.288   2.550   9.425
   93    HA   ALA  16           HA       ALA  16   2.918   3.887   8.369
   94    HB1  ALA  16          1HB       ALA  16   4.467   5.711   7.870
   95    HB2  ALA  16          2HB       ALA  16   4.709   5.126   9.525
   96    HB3  ALA  16          3HB       ALA  16   5.856   4.667   8.240
   97    H    THR  17           H        THR  17   4.607   1.365   7.074
   98    HA   THR  17           HA       THR  17   4.018   2.203   4.272
   99    HB   THR  17           HB       THR  17   5.789  -0.096   5.157
  100    HG1  THR  17          1HG       THR  17   6.707   1.948   5.554
  101   HG21  THR  17          1HG2      THR  17   5.333   1.144   2.402
  102   HG22  THR  17          2HG2      THR  17   4.802  -0.473   2.923
  103   HG23  THR  17          3HG2      THR  17   6.527  -0.102   2.787
  104    H    VAL  18           H        VAL  18   2.406   1.186   3.228
  105    HA   VAL  18           HA       VAL  18   1.007  -1.069   4.609
  106    HB   VAL  18           HB       VAL  18  -0.931  -0.655   3.321
  107   HG11  VAL  18          1HG1      VAL  18  -1.583   1.554   4.106
  108   HG12  VAL  18          2HG1      VAL  18  -0.566   0.773   5.335
  109   HG13  VAL  18          3HG1      VAL  18   0.106   2.042   4.287
  110   HG21  VAL  18          1HG2      VAL  18   0.023   0.065   1.155
  111   HG22  VAL  18          2HG2      VAL  18  -1.176   1.220   1.747
  112   HG23  VAL  18          3HG2      VAL  18   0.552   1.582   1.922
  113    H    TYR  19           H        TYR  19   0.531  -2.934   3.531
  114    HA   TYR  19           HA       TYR  19   2.132  -3.632   1.102
  115    HB2  TYR  19          1HB       TYR  19   2.523  -5.194   2.855
  116    HB3  TYR  19          2HB       TYR  19   0.837  -5.207   3.345
  117    HD1  TYR  19          1HD       TYR  19  -0.788  -6.645   2.334
  118    HD2  TYR  19          2HD       TYR  19   3.193  -6.371   0.690
  119    HE1  TYR  19          1HE       TYR  19  -1.242  -8.633   0.909
  120    HE2  TYR  19          2HE       TYR  19   2.741  -8.387  -0.711
  121    HH   TYR  19           HH       TYR  19  -0.385 -10.121  -0.617
  122    H    VAL  20           H        VAL  20   1.090  -4.216  -0.753
  123    HA   VAL  20           HA       VAL  20  -1.900  -4.293  -0.847
  124    HB   VAL  20           HB       VAL  20  -0.142  -2.898  -2.903
  125   HG11  VAL  20          1HG1      VAL  20  -2.321  -2.153  -3.798
  126   HG12  VAL  20          2HG1      VAL  20  -2.224  -3.923  -3.789
  127   HG13  VAL  20          3HG1      VAL  20  -3.168  -3.087  -2.548
  128   HG21  VAL  20          1HG2      VAL  20  -0.185  -1.502  -0.888
  129   HG22  VAL  20          2HG2      VAL  20  -1.180  -0.797  -2.158
  130   HG23  VAL  20          3HG2      VAL  20  -1.954  -1.646  -0.803
  131    H    GLY  21           H        GLY  21  -2.300  -6.379  -1.341
  132    HA2  GLY  21          1HA       GLY  21  -0.629  -7.806  -3.375
  133    HA3  GLY  21          2HA       GLY  21  -1.679  -8.564  -2.191
  134    H    GLY  22           H        GLY  22  -1.562  -8.769  -5.151
  135    HA2  GLY  22          1HA       GLY  22  -3.325  -9.704  -6.438
  136    HA3  GLY  22          2HA       GLY  22  -4.518  -8.791  -5.515
  137    H    LEU  23           H        LEU  23  -1.592  -7.587  -7.175
  138    HA   LEU  23           HA       LEU  23  -3.099  -5.349  -8.310
  139    HB2  LEU  23          1HB       LEU  23  -0.155  -6.128  -8.411
  140    HB3  LEU  23          2HB       LEU  23  -0.819  -4.627  -9.048
  141    HG   LEU  23           HG       LEU  23  -0.810  -5.475  -6.114
  142   HD11  LEU  23          1HD1      LEU  23   0.719  -3.296  -7.582
  143   HD12  LEU  23          2HD1      LEU  23   1.389  -4.850  -7.056
  144   HD13  LEU  23          3HD1      LEU  23   0.808  -3.684  -5.850
  145   HD21  LEU  23          1HD2      LEU  23  -1.964  -3.042  -7.525
  146   HD22  LEU  23          2HD2      LEU  23  -1.470  -2.996  -5.829
  147   HD23  LEU  23          3HD2      LEU  23  -2.738  -4.120  -6.347
  148    H    ASP  24           H        ASP  24  -3.352  -4.867 -10.445
  149    HA   ASP  24           HA       ASP  24  -3.301  -7.107 -12.320
  150    HB2  ASP  24          1HB       ASP  24  -5.234  -5.539 -12.169
  151    HB3  ASP  24          2HB       ASP  24  -4.182  -4.208 -12.651
  152    H    GLU  25           H        GLU  25  -2.279  -6.959 -14.482
  153    HA   GLU  25           HA       GLU  25   0.456  -6.209 -14.413
  154    HB2  GLU  25          1HB       GLU  25   0.500  -6.814 -16.753
  155    HB3  GLU  25          2HB       GLU  25  -0.430  -7.985 -15.822
  156    HG2  GLU  25          1HG       GLU  25  -2.547  -6.935 -16.623
  157    HG3  GLU  25          2HG       GLU  25  -1.610  -5.767 -17.556
  158    H    LYS  26           H        LYS  26  -2.305  -4.198 -15.213
  159    HA   LYS  26           HA       LYS  26  -0.710  -2.112 -16.534
  160    HB2  LYS  26          1HB       LYS  26  -3.581  -2.199 -15.539
  161    HB3  LYS  26          2HB       LYS  26  -2.869  -0.840 -16.418
  162    HG2  LYS  26          1HG       LYS  26  -2.351  -2.309 -18.336
  163    HG3  LYS  26          2HG       LYS  26  -3.083  -3.684 -17.515
  164    HD2  LYS  26          1HD       LYS  26  -4.510  -1.124 -18.341
  165    HD3  LYS  26          2HD       LYS  26  -4.579  -2.660 -19.201
  166    HE2  LYS  26          1HE       LYS  26  -5.638  -2.123 -16.393
  167    HE3  LYS  26          2HE       LYS  26  -6.603  -2.260 -17.865
  168    HZ1  LYS  26          1HZ       LYS  26  -5.704  -4.587 -18.052
  169    HZ2  LYS  26          2HZ       LYS  26  -6.663  -4.357 -16.749
  170    HZ3  LYS  26          3HZ       LYS  26  -5.049  -4.418 -16.546
  171    H    VAL  27           H        VAL  27  -1.003  -2.943 -13.263
  172    HA   VAL  27           HA       VAL  27  -0.921  -0.245 -12.140
  173    HB   VAL  27           HB       VAL  27  -0.287  -2.938 -10.876
  174   HG11  VAL  27          1HG1      VAL  27  -0.592  -1.791  -8.731
  175   HG12  VAL  27          2HG1      VAL  27   0.799  -1.155  -9.584
  176   HG13  VAL  27          3HG1      VAL  27  -0.711  -0.229  -9.549
  177   HG21  VAL  27          1HG2      VAL  27  -2.648  -2.758 -11.560
  178   HG22  VAL  27          2HG2      VAL  27  -2.522  -2.657  -9.806
  179   HG23  VAL  27          3HG2      VAL  27  -2.786  -1.183 -10.754
  180    H    SER  28           H        SER  28   0.789   0.977 -11.565
  181    HA   SER  28           HA       SER  28   3.551  -0.155 -11.639
  182    HB2  SER  28          1HB       SER  28   2.716   2.492 -12.887
  183    HB3  SER  28          2HB       SER  28   4.378   1.894 -12.721
  184    HG   SER  28           HG       SER  28   3.500   1.489 -14.808
  185    H    GLU  29           H        GLU  29   5.132   1.179 -10.399
  186    HA   GLU  29           HA       GLU  29   4.168   1.833  -7.843
  187    HB2  GLU  29          1HB       GLU  29   6.744   2.309  -9.354
  188    HB3  GLU  29          2HB       GLU  29   6.542   3.165  -7.842
  189    HG2  GLU  29          1HG       GLU  29   6.703   1.321  -6.543
  190    HG3  GLU  29          2HG       GLU  29   5.827   0.308  -7.663
  191    HA   PRO  30           HA       PRO  30   4.101   6.534  -8.903
  192    HB2  PRO  30          1HB       PRO  30   3.364   6.389 -11.825
  193    HB3  PRO  30          2HB       PRO  30   4.286   7.653 -10.951
  194    HG2  PRO  30          1HG       PRO  30   5.604   5.846 -12.464
  195    HG3  PRO  30          2HG       PRO  30   6.230   6.244 -10.827
  196    HD2  PRO  30          1HD       PRO  30   4.494   3.897 -11.650
  197    HD3  PRO  30          2HD       PRO  30   6.004   3.891 -10.690
  198    H    LEU  31           H        LEU  31   1.976   4.093 -10.389
  199    HA   LEU  31           HA       LEU  31  -0.480   5.642 -10.105
  200    HB2  LEU  31          1HB       LEU  31  -0.261   3.691 -11.684
  201    HB3  LEU  31          2HB       LEU  31  -0.071   2.627 -10.293
  202    HG   LEU  31           HG       LEU  31  -2.379   3.377  -9.472
  203   HD11  LEU  31          1HD1      LEU  31  -3.859   4.287 -11.228
  204   HD12  LEU  31          2HD1      LEU  31  -2.451   4.476 -12.306
  205   HD13  LEU  31          3HD1      LEU  31  -2.575   5.430 -10.802
  206   HD21  LEU  31          1HD2      LEU  31  -2.028   1.955 -12.142
  207   HD22  LEU  31          2HD2      LEU  31  -3.511   1.923 -11.170
  208   HD23  LEU  31          3HD2      LEU  31  -2.025   1.227 -10.513
  209    H    LEU  32           H        LEU  32   1.121   3.007  -8.253
  210    HA   LEU  32           HA       LEU  32  -0.740   3.037  -6.087
  211    HB2  LEU  32          1HB       LEU  32   2.236   2.320  -6.034
  212    HB3  LEU  32          2HB       LEU  32   1.052   1.935  -4.788
  213    HG   LEU  32           HG       LEU  32   1.248   0.779  -7.568
  214   HD11  LEU  32          1HD1      LEU  32   1.455  -1.303  -6.320
  215   HD12  LEU  32          2HD1      LEU  32   1.174  -0.454  -4.780
  216   HD13  LEU  32          3HD1      LEU  32   2.654  -0.137  -5.721
  217   HD21  LEU  32          1HD2      LEU  32  -0.768  -0.605  -6.833
  218   HD22  LEU  32          2HD2      LEU  32  -1.114   1.086  -7.242
  219   HD23  LEU  32          3HD2      LEU  32  -1.009   0.574  -5.535
  220    H    TRP  33           H        TRP  33   1.911   5.187  -6.767
  221    HA   TRP  33           HA       TRP  33   1.861   6.480  -4.166
  222    HB2  TRP  33          1HB       TRP  33   3.722   6.465  -5.902
  223    HB3  TRP  33          2HB       TRP  33   2.816   7.653  -6.806
  224    HD1  TRP  33           HD       TRP  33   2.024   9.613  -4.360
  225    HE1  TRP  33          1HE       TRP  33   3.874  11.005  -3.231
  226    HE3  TRP  33          3HE       TRP  33   6.046   6.830  -5.755
  227    HZ2  TRP  33          2HZ       TRP  33   6.768  10.981  -3.087
  228    HZ3  TRP  33          3HZ       TRP  33   8.371   7.549  -5.157
  229    HH2  TRP  33           HH       TRP  33   8.729   9.623  -3.832
  230    H    GLU  34           H        GLU  34   0.786   7.731  -7.346
  231    HA   GLU  34           HA       GLU  34  -0.619   9.934  -6.230
  232    HB2  GLU  34          1HB       GLU  34  -0.880   8.607  -8.962
  233    HB3  GLU  34          2HB       GLU  34  -1.625  10.150  -8.516
  234    HG2  GLU  34          1HG       GLU  34   0.660  10.985  -7.864
  235    HG3  GLU  34          2HG       GLU  34   1.359   9.545  -8.590
  236    H    LEU  35           H        LEU  35  -1.856   6.706  -6.932
  237    HA   LEU  35           HA       LEU  35  -4.651   7.361  -6.600
  238    HB2  LEU  35          1HB       LEU  35  -3.533   5.244  -7.664
  239    HB3  LEU  35          2HB       LEU  35  -3.377   4.680  -5.996
  240    HG   LEU  35           HG       LEU  35  -5.937   5.089  -5.862
  241   HD11  LEU  35          1HD1      LEU  35  -6.185   6.343  -7.971
  242   HD12  LEU  35          2HD1      LEU  35  -7.143   4.855  -7.983
  243   HD13  LEU  35          3HD1      LEU  35  -5.610   4.925  -8.878
  244   HD21  LEU  35          1HD2      LEU  35  -4.911   2.878  -5.809
  245   HD22  LEU  35          2HD2      LEU  35  -4.803   2.867  -7.586
  246   HD23  LEU  35          3HD2      LEU  35  -6.390   2.856  -6.773
  247    H    PHE  36           H        PHE  36  -2.063   6.570  -4.298
  248    HA   PHE  36           HA       PHE  36  -3.944   6.183  -2.053
  249    HB2  PHE  36          1HB       PHE  36  -1.016   5.717  -2.520
  250    HB3  PHE  36          2HB       PHE  36  -1.621   5.791  -0.912
  251    HD1  PHE  36          1HD       PHE  36  -2.391   3.845   0.150
  252    HD2  PHE  36          2HD       PHE  36  -2.333   3.982  -4.149
  253    HE1  PHE  36          1HE       PHE  36  -3.103   1.469   0.066
  254    HE2  PHE  36          2HE       PHE  36  -3.008   1.597  -4.237
  255    HZ   PHE  36           HZ       PHE  36  -3.429   0.346  -2.129
  256    H    LEU  37           H        LEU  37  -2.182   8.827  -3.386
  257    HA   LEU  37           HA       LEU  37  -1.830  10.495  -1.136
  258    HB2  LEU  37          1HB       LEU  37  -2.680  11.070  -3.997
  259    HB3  LEU  37          2HB       LEU  37  -2.372  12.349  -2.831
  260    HG   LEU  37           HG       LEU  37  -0.308  10.338  -3.774
  261   HD11  LEU  37          1HD1      LEU  37  -0.566  13.328  -4.273
  262   HD12  LEU  37          2HD1      LEU  37  -0.975  12.067  -5.450
  263   HD13  LEU  37          3HD1      LEU  37   0.702  12.250  -4.900
  264   HD21  LEU  37          1HD2      LEU  37   1.300  11.817  -2.571
  265   HD22  LEU  37          2HD2      LEU  37   0.165  11.007  -1.482
  266   HD23  LEU  37          3HD2      LEU  37  -0.080  12.717  -1.887
  267    H    GLN  38           H        GLN  38  -4.793   9.355  -2.425
  268    HA   GLN  38           HA       GLN  38  -6.638  11.296  -1.369
  269    HB2  GLN  38          1HB       GLN  38  -7.065   8.301  -1.778
  270    HB3  GLN  38          2HB       GLN  38  -8.318   9.545  -1.642
  271    HG2  GLN  38          1HG       GLN  38  -7.414  10.617  -3.735
  272    HG3  GLN  38          2HG       GLN  38  -6.249   9.282  -3.837
  273   HE21  GLN  38          1HE2      GLN  38  -6.973   7.198  -4.476
  274   HE22  GLN  38          2HE2      GLN  38  -8.599   6.950  -5.137
  275    H    ALA  39           H        ALA  39  -4.969   8.519   0.102
  276    HA   ALA  39           HA       ALA  39  -6.570   8.571   2.549
  277    HB1  ALA  39          1HB       ALA  39  -5.500   6.499   1.650
  278    HB2  ALA  39          2HB       ALA  39  -3.911   7.222   1.927
  279    HB3  ALA  39          3HB       ALA  39  -4.971   6.885   3.305
  280    H    GLY  40           H        GLY  40  -3.288   9.625   1.610
  281    HA2  GLY  40          1HA       GLY  40  -3.163  11.918   3.282
  282    HA3  GLY  40          2HA       GLY  40  -2.389  10.565   4.116
  283    HA   PRO  41           HA       PRO  41   0.644  12.662   1.189
  284    HB2  PRO  41          1HB       PRO  41   2.643  13.186   3.003
  285    HB3  PRO  41          2HB       PRO  41   1.254  14.273   2.698
  286    HG2  PRO  41          1HG       PRO  41   1.525  12.187   4.884
  287    HG3  PRO  41          2HG       PRO  41   1.049  13.904   5.058
  288    HD2  PRO  41          1HD       PRO  41  -0.777  11.902   4.929
  289    HD3  PRO  41          2HD       PRO  41  -1.101  13.446   4.087
  290    H    VAL  42           H        VAL  42   1.347  11.052  -0.015
  291    HA   VAL  42           HA       VAL  42   2.767   8.698   1.066
  292    HB   VAL  42           HB       VAL  42   2.049   9.420  -1.792
  293   HG11  VAL  42          1HG1      VAL  42   3.254   6.882  -0.601
  294   HG12  VAL  42          2HG1      VAL  42   2.598   7.015  -2.239
  295   HG13  VAL  42          3HG1      VAL  42   4.013   7.957  -1.795
  296   HG21  VAL  42          1HG2      VAL  42   0.825   7.364   0.089
  297   HG22  VAL  42          2HG2      VAL  42   0.052   8.881  -0.418
  298   HG23  VAL  42          3HG2      VAL  42   0.385   7.629  -1.613
  299    H    VAL  43           H        VAL  43   4.845   8.381   0.981
  300    HA   VAL  43           HA       VAL  43   6.652  10.633   0.214
  301    HB   VAL  43           HB       VAL  43   7.192   8.346   2.146
  302   HG11  VAL  43          1HG1      VAL  43   8.788   9.956   3.159
  303   HG12  VAL  43          2HG1      VAL  43   9.204   9.592   1.478
  304   HG13  VAL  43          3HG1      VAL  43   8.404  11.134   1.891
  305   HG21  VAL  43          1HG2      VAL  43   5.222   9.494   2.991
  306   HG22  VAL  43          2HG2      VAL  43   6.625   9.895   3.975
  307   HG23  VAL  43          3HG2      VAL  43   6.009  11.077   2.792
  308    H    ASN  44           H        ASN  44   6.153   7.159  -0.191
  309    HA   ASN  44           HA       ASN  44   8.034   6.936  -2.407
  310    HB2  ASN  44          1HB       ASN  44   9.625   6.877  -0.586
  311    HB3  ASN  44          2HB       ASN  44   8.624   5.800   0.352
  312   HD21  ASN  44          1HD2      ASN  44   9.736   3.932   0.561
  313   HD22  ASN  44          2HD2      ASN  44  10.497   3.083  -0.794
  314    H    THR  45           H        THR  45   7.963   4.754  -3.377
  315    HA   THR  45           HA       THR  45   5.863   2.882  -2.456
  316    HB   THR  45           HB       THR  45   5.310   2.481  -4.948
  317    HG1  THR  45          1HG       THR  45   5.336   4.410  -6.154
  318   HG21  THR  45          1HG2      THR  45   3.488   3.964  -4.942
  319   HG22  THR  45          2HG2      THR  45   4.253   5.041  -3.735
  320   HG23  THR  45          3HG2      THR  45   3.729   3.395  -3.296
  321    H    HIS  46           H        HIS  46   6.126   0.695  -3.214
  322    HA   HIS  46           HA       HIS  46   8.638   0.074  -4.658
  323    HB2  HIS  46          1HB       HIS  46   8.960   0.037  -2.052
  324    HB3  HIS  46          2HB       HIS  46   7.946  -1.386  -2.092
  325    HD2  HIS  46          2HD       HIS  46  11.480  -0.242  -2.824
  326    HE1  HIS  46          1HE       HIS  46  11.330  -4.309  -4.105
  327    HE2  HIS  46          2HE       HIS  46  12.867  -2.329  -3.646
  328    H    MET  47           H        MET  47   8.271  -1.481  -6.163
  329    HA   MET  47           HA       MET  47   6.223  -3.595  -5.594
  330    HB2  MET  47          1HB       MET  47   6.493  -2.027  -8.170
  331    HB3  MET  47          2HB       MET  47   5.737  -3.619  -8.072
  332    HG2  MET  47          1HG       MET  47   4.058  -2.851  -6.551
  333    HG3  MET  47          2HG       MET  47   4.849  -1.291  -6.341
  334    HE1  MET  47          1HE       MET  47   2.477  -2.663 -10.041
  335    HE2  MET  47          2HE       MET  47   4.154  -3.196  -9.820
  336    HE3  MET  47          3HE       MET  47   2.915  -3.652  -8.624
  337    HA   PRO  48           HA       PRO  48  10.138  -5.756  -6.379
  338    HB2  PRO  48          1HB       PRO  48   8.275  -8.020  -5.620
  339    HB3  PRO  48          2HB       PRO  48  10.002  -7.792  -5.189
  340    HG2  PRO  48          1HG       PRO  48   8.123  -7.137  -3.384
  341    HG3  PRO  48          2HG       PRO  48   9.446  -5.976  -3.694
  342    HD2  PRO  48          1HD       PRO  48   6.634  -5.961  -4.849
  343    HD3  PRO  48          2HD       PRO  48   7.542  -4.603  -4.106
  344    H    LYS  49           H        LYS  49  10.909  -6.903  -8.137
  345    HA   LYS  49           HA       LYS  49   8.983  -7.369 -10.382
  346    HB2  LYS  49          1HB       LYS  49  11.897  -6.535 -10.568
  347    HB3  LYS  49          2HB       LYS  49  10.755  -6.682 -11.895
  348    HG2  LYS  49          1HG       LYS  49  10.741  -4.592  -9.695
  349    HG3  LYS  49          2HG       LYS  49  11.136  -4.368 -11.400
  350    HD2  LYS  49          1HD       LYS  49   8.734  -5.081 -11.936
  351    HD3  LYS  49          2HD       LYS  49   8.399  -4.960 -10.207
  352    HE2  LYS  49          1HE       LYS  49   9.273  -2.727 -12.093
  353    HE3  LYS  49          2HE       LYS  49   7.703  -2.921 -11.309
  354    HZ1  LYS  49          1HZ       LYS  49   8.839  -1.351  -9.989
  355    HZ2  LYS  49          2HZ       LYS  49  10.259  -2.173 -10.024
  356    HZ3  LYS  49          3HZ       LYS  49   9.002  -2.736  -9.145
  357    H    ASP  50           H        ASP  50   9.496  -8.868 -11.988
  358    HA   ASP  50           HA       ASP  50  10.743 -11.382 -11.156
  359    HB2  ASP  50          1HB       ASP  50   8.713 -11.365 -12.533
  360    HB3  ASP  50          2HB       ASP  50   9.522 -10.400 -13.764
  361    H    ARG  51           H        ARG  51  12.690 -12.234 -11.880
  362    HA   ARG  51           HA       ARG  51  14.676 -10.264 -12.716
  363    HB2  ARG  51          1HB       ARG  51  16.321 -11.828 -12.006
  364    HB3  ARG  51          2HB       ARG  51  15.033 -11.777 -10.807
  365    HG2  ARG  51          1HG       ARG  51  14.097 -13.907 -11.748
  366    HG3  ARG  51          2HG       ARG  51  15.426 -13.946 -12.923
  367    HD2  ARG  51          1HD       ARG  51  17.064 -14.002 -11.030
  368    HD3  ARG  51          2HD       ARG  51  15.718 -14.016  -9.894
  369    HE   ARG  51           HE       ARG  51  15.282 -16.246 -10.376
  370   HH11  ARG  51          1HH1      ARG  51  17.651 -15.142 -12.718
  371   HH12  ARG  51          2HH1      ARG  51  17.973 -16.759 -13.283
  372   HH21  ARG  51          1HH2      ARG  51  15.744 -18.271 -11.148
  373   HH22  ARG  51          2HH2      ARG  51  16.917 -18.477 -12.414
  374    H    VAL  52           H        VAL  52  12.726 -11.770 -14.760
  375    HA   VAL  52           HA       VAL  52  14.842 -12.219 -16.844
  376    HB   VAL  52           HB       VAL  52  12.350 -13.929 -16.465
  377   HG11  VAL  52          1HG1      VAL  52  13.434 -15.403 -18.140
  378   HG12  VAL  52          2HG1      VAL  52  13.072 -13.816 -18.811
  379   HG13  VAL  52          3HG1      VAL  52  14.740 -14.213 -18.337
  380   HG21  VAL  52          1HG2      VAL  52  13.948 -15.763 -15.883
  381   HG22  VAL  52          2HG2      VAL  52  15.257 -14.562 -15.801
  382   HG23  VAL  52          3HG2      VAL  52  13.883 -14.493 -14.667
  383    H    THR  53           H        THR  53  11.472 -11.366 -16.107
  384    HA   THR  53           HA       THR  53  11.131 -10.196 -18.829
  385    HB   THR  53           HB       THR  53   8.731 -10.445 -18.472
  386    HG1  THR  53          1HG       THR  53   9.459 -11.739 -16.054
  387   HG21  THR  53          1HG2      THR  53   9.952 -12.370 -19.462
  388   HG22  THR  53          2HG2      THR  53   8.514 -12.860 -18.546
  389   HG23  THR  53          3HG2      THR  53  10.129 -13.081 -17.841
  390    H    GLY  54           H        GLY  54  11.501  -9.374 -15.538
  391    HA2  GLY  54          1HA       GLY  54  11.646  -7.371 -14.506
  392    HA3  GLY  54          2HA       GLY  54  11.451  -6.606 -16.084
  393    H    GLN  55           H        GLN  55   8.764  -8.571 -15.444
  394    HA   GLN  55           HA       GLN  55   6.988  -6.295 -14.933
  395    HB2  GLN  55          1HB       GLN  55   6.318  -9.262 -15.025
  396    HB3  GLN  55          2HB       GLN  55   5.201  -7.906 -15.170
  397    HG2  GLN  55          1HG       GLN  55   7.295  -8.809 -17.186
  398    HG3  GLN  55          2HG       GLN  55   5.551  -8.856 -17.361
  399   HE21  GLN  55          1HE2      GLN  55   8.351  -7.024 -18.093
  400   HE22  GLN  55          2HE2      GLN  55   7.510  -5.540 -18.540
  401    H    HIS  56           H        HIS  56   5.394  -6.330 -13.081
  402    HA   HIS  56           HA       HIS  56   6.852  -6.797 -10.609
  403    HB2  HIS  56          1HB       HIS  56   5.098  -5.722  -9.473
  404    HB3  HIS  56          2HB       HIS  56   5.420  -4.827 -10.951
  405    HD2  HIS  56          2HD       HIS  56   3.314  -4.272 -12.413
  406    HE1  HIS  56          1HE       HIS  56   0.499  -6.882 -10.568
  407    HE2  HIS  56          2HE       HIS  56   0.777  -4.996 -12.229
  408    H    GLN  57           H        GLN  57   6.173  -7.998  -8.783
  409    HA   GLN  57           HA       GLN  57   5.496 -10.725  -9.518
  410    HB2  GLN  57          1HB       GLN  57   6.256  -9.449  -6.871
  411    HB3  GLN  57          2HB       GLN  57   6.028 -11.187  -7.121
  412    HG2  GLN  57          1HG       GLN  57   7.849 -11.216  -8.791
  413    HG3  GLN  57          2HG       GLN  57   8.119  -9.497  -8.537
  414   HE21  GLN  57          1HE2      GLN  57  10.403 -10.213  -7.940
  415   HE22  GLN  57          2HE2      GLN  57  10.637 -10.802  -6.299
  416    H    GLY  58           H        GLY  58   3.243  -8.496  -9.304
  417    HA2  GLY  58          1HA       GLY  58   0.942  -8.794  -9.101
  418    HA3  GLY  58          2HA       GLY  58   1.181 -10.288  -8.201
  419    H    TYR  59           H        TYR  59   3.116  -7.955  -6.752
  420    HA   TYR  59           HA       TYR  59   1.029  -6.740  -5.074
  421    HB2  TYR  59          1HB       TYR  59   1.932  -7.500  -3.000
  422    HB3  TYR  59          2HB       TYR  59   1.552  -8.899  -3.979
  423    HD1  TYR  59          1HD       TYR  59   4.178  -7.046  -2.243
  424    HD2  TYR  59          2HD       TYR  59   3.408 -10.227  -5.060
  425    HE1  TYR  59          1HE       TYR  59   6.474  -7.943  -1.875
  426    HE2  TYR  59          2HE       TYR  59   5.723 -11.075  -4.733
  427    HH   TYR  59           HH       TYR  59   7.747 -10.722  -3.737
  428    H    GLY  60           H        GLY  60   1.852  -5.108  -3.623
  429    HA2  GLY  60          1HA       GLY  60   4.474  -3.869  -4.197
  430    HA3  GLY  60          2HA       GLY  60   3.025  -2.977  -4.668
  431    H    PHE  61           H        PHE  61   4.396  -1.591  -3.104
  432    HA   PHE  61           HA       PHE  61   3.043  -1.590  -0.474
  433    HB2  PHE  61          1HB       PHE  61   6.024  -1.170  -0.913
  434    HB3  PHE  61          2HB       PHE  61   5.184  -1.007   0.609
  435    HD1  PHE  61          1HD       PHE  61   4.495  -2.962   1.920
  436    HD2  PHE  61          2HD       PHE  61   6.542  -3.394  -1.851
  437    HE1  PHE  61          1HE       PHE  61   5.035  -5.324   2.479
  438    HE2  PHE  61          2HE       PHE  61   7.074  -5.750  -1.293
  439    HZ   PHE  61           HZ       PHE  61   6.316  -6.724   0.870
  440    H    VAL  62           H        VAL  62   2.840   0.446   0.490
  441    HA   VAL  62           HA       VAL  62   3.757   2.846  -1.038
  442    HB   VAL  62           HB       VAL  62   0.968   2.684   0.153
  443   HG11  VAL  62          1HG1      VAL  62   0.615   4.721  -1.151
  444   HG12  VAL  62          2HG1      VAL  62   1.916   4.936   0.012
  445   HG13  VAL  62          3HG1      VAL  62   2.295   4.675  -1.711
  446   HG21  VAL  62          1HG2      VAL  62   1.805   2.316  -2.734
  447   HG22  VAL  62          2HG2      VAL  62   0.942   1.142  -1.717
  448   HG23  VAL  62          3HG2      VAL  62   0.145   2.638  -2.196
  449    H    GLU  63           H        GLU  63   4.772   4.279   0.202
  450    HA   GLU  63           HA       GLU  63   4.807   3.869   3.156
  451    HB2  GLU  63          1HB       GLU  63   6.877   3.606   1.792
  452    HB3  GLU  63          2HB       GLU  63   6.730   5.312   1.324
  453    HG2  GLU  63          1HG       GLU  63   6.948   6.008   3.662
  454    HG3  GLU  63          2HG       GLU  63   7.065   4.328   4.180
  455    H    PHE  64           H        PHE  64   3.796   5.301   4.413
  456    HA   PHE  64           HA       PHE  64   3.032   7.972   3.344
  457    HB2  PHE  64          1HB       PHE  64   1.936   6.226   5.564
  458    HB3  PHE  64          2HB       PHE  64   1.505   7.914   5.377
  459    HD1  PHE  64          1HD       PHE  64   1.173   4.557   3.840
  460    HD2  PHE  64          2HD       PHE  64   0.210   8.742   3.520
  461    HE1  PHE  64          1HE       PHE  64  -0.585   4.023   2.158
  462    HE2  PHE  64          2HE       PHE  64  -1.546   8.204   1.833
  463    HZ   PHE  64           HZ       PHE  64  -1.970   5.871   1.187
  464    H    LEU  65           H        LEU  65   3.136   9.817   4.686
  465    HA   LEU  65           HA       LEU  65   5.641  10.241   5.922
  466    HB2  LEU  65          1HB       LEU  65   3.976  11.921   4.883
  467    HB3  LEU  65          2HB       LEU  65   3.109  11.831   6.424
  468    HG   LEU  65           HG       LEU  65   5.296  12.547   7.552
  469   HD11  LEU  65          1HD1      LEU  65   6.003  13.259   4.668
  470   HD12  LEU  65          2HD1      LEU  65   6.859  12.079   5.686
  471   HD13  LEU  65          3HD1      LEU  65   6.891  13.793   6.113
  472   HD21  LEU  65          1HD2      LEU  65   4.933  14.929   6.992
  473   HD22  LEU  65          2HD2      LEU  65   3.394  14.081   7.200
  474   HD23  LEU  65          3HD2      LEU  65   3.982  14.456   5.564
  475    H    SER  66           H        SER  66   2.547   9.324   7.377
  476    HA   SER  66           HA       SER  66   3.906   8.761   9.959
  477    HB2  SER  66          1HB       SER  66   1.233  10.190   9.827
  478    HB3  SER  66          2HB       SER  66   2.198   9.812  11.257
  479    HG   SER  66           HG       SER  66   2.403  12.009  10.615
  480    H    GLU  67           H        GLU  67   2.756   7.241  11.297
  481    HA   GLU  67           HA       GLU  67   1.743   5.046   9.799
  482    HB2  GLU  67          1HB       GLU  67   2.964   4.978  11.955
  483    HB3  GLU  67          2HB       GLU  67   1.496   5.542  12.784
  484    HG2  GLU  67          1HG       GLU  67   0.302   3.505  11.856
  485    HG3  GLU  67          2HG       GLU  67   1.839   2.963  11.185
  486    H    GLU  68           H        GLU  68  -0.050   7.562  11.610
  487    HA   GLU  68           HA       GLU  68  -2.608   6.289  11.426
  488    HB2  GLU  68          1HB       GLU  68  -3.534   8.452  12.011
  489    HB3  GLU  68          2HB       GLU  68  -2.133   8.074  13.010
  490    HG2  GLU  68          1HG       GLU  68  -0.728   9.575  11.577
  491    HG3  GLU  68          2HG       GLU  68  -2.157   9.978  10.624
  492    H    ASP  69           H        ASP  69  -0.787   8.015   8.997
  493    HA   ASP  69           HA       ASP  69  -3.075   8.387   7.179
  494    HB2  ASP  69          1HB       ASP  69  -0.073   8.712   6.845
  495    HB3  ASP  69          2HB       ASP  69  -1.232   9.018   5.571
  496    H    ALA  70           H        ALA  70  -0.510   5.960   7.737
  497    HA   ALA  70           HA       ALA  70  -1.176   4.360   5.390
  498    HB1  ALA  70          1HB       ALA  70   0.324   3.717   7.980
  499    HB2  ALA  70          2HB       ALA  70   0.253   2.671   6.563
  500    HB3  ALA  70          3HB       ALA  70   1.042   4.252   6.449
  501    H    ASP  71           H        ASP  71  -2.053   4.273   8.868
  502    HA   ASP  71           HA       ASP  71  -3.652   1.959   8.839
  503    HB2  ASP  71          1HB       ASP  71  -2.769   3.662  10.744
  504    HB3  ASP  71          2HB       ASP  71  -4.432   4.215  10.644
  505    H    TYR  72           H        TYR  72  -4.502   5.252   7.884
  506    HA   TYR  72           HA       TYR  72  -7.344   4.678   7.482
  507    HB2  TYR  72          1HB       TYR  72  -6.424   6.929   8.075
  508    HB3  TYR  72          2HB       TYR  72  -5.648   6.993   6.491
  509    HD1  TYR  72          1HD       TYR  72  -8.984   6.677   8.195
  510    HD2  TYR  72          2HD       TYR  72  -6.878   7.710   4.584
  511    HE1  TYR  72          1HE       TYR  72 -11.110   7.509   7.196
  512    HE2  TYR  72          2HE       TYR  72  -9.008   8.544   3.576
  513    HH   TYR  72           HH       TYR  72 -12.114   8.450   5.364
  514    H    ALA  73           H        ALA  73  -4.421   4.689   5.382
  515    HA   ALA  73           HA       ALA  73  -5.856   4.467   2.882
  516    HB1  ALA  73          1HB       ALA  73  -3.064   3.472   3.604
  517    HB2  ALA  73          2HB       ALA  73  -3.702   3.855   1.988
  518    HB3  ALA  73          3HB       ALA  73  -3.455   5.147   3.174
  519    H    ILE  74           H        ILE  74  -4.704   2.062   5.240
  520    HA   ILE  74           HA       ILE  74  -5.538  -0.302   3.852
  521    HB   ILE  74           HB       ILE  74  -5.315   0.297   6.829
  522   HG12  ILE  74          1HG1      ILE  74  -3.309  -1.201   5.099
  523   HG13  ILE  74          2HG1      ILE  74  -3.239   0.550   5.274
  524   HG21  ILE  74          1HG2      ILE  74  -5.509  -2.373   5.369
  525   HG22  ILE  74          2HG2      ILE  74  -5.067  -2.213   7.076
  526   HG23  ILE  74          3HG2      ILE  74  -6.670  -1.729   6.539
  527   HD11  ILE  74          1HD1      ILE  74  -3.081  -1.388   7.596
  528   HD12  ILE  74          2HD1      ILE  74  -1.723  -0.555   6.813
  529   HD13  ILE  74          3HD1      ILE  74  -2.956   0.382   7.658
  530    H    LYS  75           H        LYS  75  -7.345   1.965   5.910
  531    HA   LYS  75           HA       LYS  75  -9.750   0.393   6.117
  532    HB2  LYS  75          1HB       LYS  75  -9.145   2.176   7.696
  533    HB3  LYS  75          2HB       LYS  75  -9.313   3.395   6.426
  534    HG2  LYS  75          1HG       LYS  75 -11.681   2.975   6.208
  535    HG3  LYS  75          2HG       LYS  75 -11.577   1.592   7.316
  536    HD2  LYS  75          1HD       LYS  75 -10.901   3.128   9.152
  537    HD3  LYS  75          2HD       LYS  75 -10.995   4.506   8.030
  538    HE2  LYS  75          1HE       LYS  75 -13.402   4.040   7.654
  539    HE3  LYS  75          2HE       LYS  75 -13.313   2.649   8.742
  540    HZ1  LYS  75          1HZ       LYS  75 -12.830   5.471   9.549
  541    HZ2  LYS  75          2HZ       LYS  75 -12.747   4.182  10.552
  542    HZ3  LYS  75          3HZ       LYS  75 -14.173   4.608   9.886
  543    H    ILE  76           H        ILE  76  -8.752   2.921   3.758
  544    HA   ILE  76           HA       ILE  76 -11.329   2.620   2.379
  545    HB   ILE  76           HB       ILE  76 -10.573   4.412   0.933
  546   HG12  ILE  76          1HG1      ILE  76  -8.172   4.855   2.735
  547   HG13  ILE  76          2HG1      ILE  76  -8.040   3.962   1.234
  548   HG21  ILE  76          1HG2      ILE  76 -11.824   4.780   3.084
  549   HG22  ILE  76          2HG2      ILE  76 -10.270   5.066   3.903
  550   HG23  ILE  76          3HG2      ILE  76 -10.823   6.163   2.626
  551   HD11  ILE  76          1HD1      ILE  76  -7.452   6.204   0.740
  552   HD12  ILE  76          2HD1      ILE  76  -9.053   5.954   0.040
  553   HD13  ILE  76          3HD1      ILE  76  -8.877   6.846   1.576
  554    H    MET  77           H        MET  77  -7.934   1.735   1.586
  555    HA   MET  77           HA       MET  77  -8.721   1.065  -1.151
  556    HB2  MET  77          1HB       MET  77  -6.098   1.106   0.272
  557    HB3  MET  77          2HB       MET  77  -6.244   0.554  -1.386
  558    HG2  MET  77          1HG       MET  77  -7.317   3.259  -0.580
  559    HG3  MET  77          2HG       MET  77  -5.624   3.037  -0.932
  560    HE1  MET  77          1HE       MET  77  -5.375   4.509  -3.319
  561    HE2  MET  77          2HE       MET  77  -6.964   4.922  -4.001
  562    HE3  MET  77          3HE       MET  77  -6.686   5.110  -2.264
  563    H    ASP  78           H        ASP  78  -9.220  -0.696   1.443
  564    HA   ASP  78           HA       ASP  78  -8.134  -3.238   0.412
  565    HB2  ASP  78          1HB       ASP  78  -7.980  -2.832   2.809
  566    HB3  ASP  78          2HB       ASP  78  -9.740  -2.754   2.937
  567    H    MET  79           H        MET  79  -9.158  -4.814  -0.567
  568    HA   MET  79           HA       MET  79 -10.506  -5.788  -1.981
  569    HB2  MET  79          1HB       MET  79 -11.840  -6.010   0.224
  570    HB3  MET  79          2HB       MET  79 -12.992  -4.901  -0.527
  571    HG2  MET  79          1HG       MET  79 -13.273  -6.465  -2.412
  572    HG3  MET  79          2HG       MET  79 -12.018  -7.519  -1.762
  573    HE1  MET  79          1HE       MET  79 -12.588  -7.851   1.315
  574    HE2  MET  79          2HE       MET  79 -13.670  -9.256   1.262
  575    HE3  MET  79          3HE       MET  79 -12.275  -9.172   0.166
  576    H    ILE  80           H        ILE  80  -9.923  -2.787  -2.277
  577    HA   ILE  80           HA       ILE  80 -11.994  -1.873  -4.121
  578    HB   ILE  80           HB       ILE  80  -9.388  -0.807  -3.111
  579   HG12  ILE  80          1HG1      ILE  80 -12.268   0.124  -3.310
  580   HG13  ILE  80          2HG1      ILE  80 -11.313  -0.214  -1.870
  581   HG21  ILE  80          1HG2      ILE  80  -9.048  -0.509  -5.482
  582   HG22  ILE  80          2HG2      ILE  80 -10.634   0.308  -5.626
  583   HG23  ILE  80          3HG2      ILE  80  -9.290   1.006  -4.656
  584   HD11  ILE  80          1HD1      ILE  80  -9.910   1.852  -2.483
  585   HD12  ILE  80          2HD1      ILE  80 -11.114   2.185  -3.739
  586   HD13  ILE  80          3HD1      ILE  80 -11.601   2.165  -2.044
  587    H    LYS  81           H        LYS  81 -12.038  -1.877  -6.288
  588    HA   LYS  81           HA       LYS  81 -10.505  -4.092  -7.506
  589    HB2  LYS  81          1HB       LYS  81 -13.089  -2.717  -8.260
  590    HB3  LYS  81          2HB       LYS  81 -12.321  -4.024  -9.197
  591    HG2  LYS  81          1HG       LYS  81 -12.381  -5.459  -7.118
  592    HG3  LYS  81          2HG       LYS  81 -13.343  -4.199  -6.331
  593    HD2  LYS  81          1HD       LYS  81 -14.964  -5.705  -7.063
  594    HD3  LYS  81          2HD       LYS  81 -14.976  -4.475  -8.337
  595    HE2  LYS  81          1HE       LYS  81 -13.338  -5.973  -9.620
  596    HE3  LYS  81          2HE       LYS  81 -13.584  -7.197  -8.377
  597    HZ1  LYS  81          1HZ       LYS  81 -15.058  -7.562 -10.270
  598    HZ2  LYS  81          2HZ       LYS  81 -15.734  -6.087 -10.106
  599    HZ3  LYS  81          3HZ       LYS  81 -15.954  -7.222  -8.950
  600    H    LEU  82           H        LEU  82  -8.657  -2.559  -7.486
  601    HA   LEU  82           HA       LEU  82  -8.417  -0.502  -9.464
  602    HB2  LEU  82          1HB       LEU  82  -6.863  -0.882  -7.527
  603    HB3  LEU  82          2HB       LEU  82  -6.264  -2.339  -8.313
  604    HG   LEU  82           HG       LEU  82  -5.311  -1.009 -10.140
  605   HD11  LEU  82          1HD1      LEU  82  -5.302   1.528  -9.891
  606   HD12  LEU  82          2HD1      LEU  82  -6.598   1.347  -8.698
  607   HD13  LEU  82          3HD1      LEU  82  -6.846   0.840 -10.385
  608   HD21  LEU  82          1HD2      LEU  82  -3.993  -1.344  -8.067
  609   HD22  LEU  82          2HD2      LEU  82  -4.656   0.162  -7.398
  610   HD23  LEU  82          3HD2      LEU  82  -3.609   0.208  -8.829
  611    H    TYR  83           H        TYR  83  -8.303  -0.667 -11.714
  612    HA   TYR  83           HA       TYR  83  -8.948  -1.736 -13.627
  613    HB2  TYR  83          1HB       TYR  83  -6.428  -3.304 -13.056
  614    HB3  TYR  83          2HB       TYR  83  -7.168  -3.073 -14.632
  615    HD1  TYR  83          1HD       TYR  83  -7.598  -0.509 -15.321
  616    HD2  TYR  83          2HD       TYR  83  -4.631  -1.905 -12.521
  617    HE1  TYR  83          1HE       TYR  83  -6.234   1.527 -15.751
  618    HE2  TYR  83          2HE       TYR  83  -3.254   0.117 -12.978
  619    HH   TYR  83           HH       TYR  83  -4.306   2.666 -15.267
  620    H    GLY  84           H        GLY  84 -10.389  -3.030 -11.411
  621    HA2  GLY  84          1HA       GLY  84 -12.105  -4.569 -11.554
  622    HA3  GLY  84          2HA       GLY  84 -11.368  -5.303 -12.965
  623    H    LYS  85           H        LYS  85  -9.184  -5.218 -10.286
  624    HA   LYS  85           HA       LYS  85  -9.780  -8.000  -9.472
  625    HB2  LYS  85          1HB       LYS  85  -7.115  -6.661 -10.016
  626    HB3  LYS  85          2HB       LYS  85  -7.276  -8.137  -9.053
  627    HG2  LYS  85          1HG       LYS  85  -8.319  -9.322 -10.920
  628    HG3  LYS  85          2HG       LYS  85  -8.295  -7.852 -11.903
  629    HD2  LYS  85          1HD       LYS  85  -5.787  -7.843 -11.785
  630    HD3  LYS  85          2HD       LYS  85  -5.847  -9.307 -10.801
  631    HE2  LYS  85          1HE       LYS  85  -5.332  -9.984 -13.031
  632    HE3  LYS  85          2HE       LYS  85  -6.985 -10.502 -12.689
  633    HZ1  LYS  85          1HZ       LYS  85  -6.232  -8.062 -14.232
  634    HZ2  LYS  85          2HZ       LYS  85  -7.769  -8.565 -13.961
  635    HZ3  LYS  85          3HZ       LYS  85  -6.768  -9.461 -14.891
  636    HA   PRO  86           HA       PRO  86 -10.292  -5.575  -5.721
  637    HB2  PRO  86          1HB       PRO  86 -11.154  -7.563  -4.031
  638    HB3  PRO  86          2HB       PRO  86 -12.154  -6.800  -5.301
  639    HG2  PRO  86          1HG       PRO  86 -10.642  -9.413  -5.443
  640    HG3  PRO  86          2HG       PRO  86 -12.320  -9.065  -5.969
  641    HD2  PRO  86          1HD       PRO  86 -10.223  -9.113  -7.715
  642    HD3  PRO  86          2HD       PRO  86 -11.545  -7.924  -7.928
  643    H    ILE  87           H        ILE  87  -8.288  -4.846  -5.198
  644    HA   ILE  87           HA       ILE  87  -6.096  -6.501  -4.402
  645    HB   ILE  87           HB       ILE  87  -4.860  -4.535  -3.986
  646   HG12  ILE  87          1HG1      ILE  87  -7.505  -3.048  -3.843
  647   HG13  ILE  87          2HG1      ILE  87  -6.276  -3.230  -2.605
  648   HG21  ILE  87          1HG2      ILE  87  -5.007  -3.454  -6.139
  649   HG22  ILE  87          2HG2      ILE  87  -5.432  -5.154  -6.352
  650   HG23  ILE  87          3HG2      ILE  87  -6.706  -3.918  -6.328
  651   HD11  ILE  87          1HD1      ILE  87  -4.702  -1.897  -4.028
  652   HD12  ILE  87          2HD1      ILE  87  -6.057  -1.577  -5.135
  653   HD13  ILE  87          3HD1      ILE  87  -6.127  -1.004  -3.460
  654    H    ARG  88           H        ARG  88  -5.070  -6.722  -2.388
  655    HA   ARG  88           HA       ARG  88  -6.857  -6.378   0.010
  656    HB2  ARG  88          1HB       ARG  88  -4.753  -8.523  -0.461
  657    HB3  ARG  88          2HB       ARG  88  -5.745  -8.325   0.983
  658    HG2  ARG  88          1HG       ARG  88  -6.679  -9.158  -1.793
  659    HG3  ARG  88          2HG       ARG  88  -6.649 -10.112  -0.311
  660    HD2  ARG  88          1HD       ARG  88  -8.270  -8.248   0.613
  661    HD3  ARG  88          2HD       ARG  88  -8.551  -7.881  -1.090
  662    HE   ARG  88           HE       ARG  88  -9.454 -10.193   0.446
  663   HH11  ARG  88          1HH1      ARG  88  -8.912  -9.185  -2.919
  664   HH12  ARG  88          2HH1      ARG  88  -9.877 -10.508  -3.499
  665   HH21  ARG  88          1HH2      ARG  88 -10.700 -11.771  -0.432
  666   HH22  ARG  88          2HH2      ARG  88 -10.904 -11.871  -2.153
  667    H    VAL  89           H        VAL  89  -6.172  -5.145   1.607
  668    HA   VAL  89           HA       VAL  89  -3.355  -4.153   1.503
  669    HB   VAL  89           HB       VAL  89  -5.794  -2.420   1.994
  670   HG11  VAL  89          1HG1      VAL  89  -4.229  -0.553   1.658
  671   HG12  VAL  89          2HG1      VAL  89  -3.696  -1.558   3.004
  672   HG13  VAL  89          3HG1      VAL  89  -2.882  -1.692   1.438
  673   HG21  VAL  89          1HG2      VAL  89  -5.242  -1.451  -0.263
  674   HG22  VAL  89          2HG2      VAL  89  -4.097  -2.785  -0.507
  675   HG23  VAL  89          3HG2      VAL  89  -5.835  -3.108  -0.341
  676    H    ASN  90           H        ASN  90  -2.276  -3.825   3.371
  677    HA   ASN  90           HA       ASN  90  -3.559  -3.625   5.972
  678    HB2  ASN  90          1HB       ASN  90  -3.563  -6.150   5.327
  679    HB3  ASN  90          2HB       ASN  90  -1.818  -6.065   5.508
  680   HD21  ASN  90          1HD2      ASN  90  -2.858  -7.884   7.062
  681   HD22  ASN  90          2HD2      ASN  90  -3.090  -7.312   8.707
  682    H    LYS  91           H        LYS  91  -1.690  -3.695   7.748
  683    HA   LYS  91           HA       LYS  91   0.428  -1.817   7.081
  684    HB2  LYS  91          1HB       LYS  91   0.272  -3.743   9.441
  685    HB3  LYS  91          2HB       LYS  91   1.279  -2.309   9.344
  686    HG2  LYS  91          1HG       LYS  91  -1.769  -2.248   9.342
  687    HG3  LYS  91          2HG       LYS  91  -0.809  -2.186  10.797
  688    HD2  LYS  91          1HD       LYS  91  -0.221  -0.156   8.640
  689    HD3  LYS  91          2HD       LYS  91  -1.690   0.034   9.596
  690    HE2  LYS  91          1HE       LYS  91   1.049  -0.278  10.867
  691    HE3  LYS  91          2HE       LYS  91   0.366   1.281  10.396
  692    HZ1  LYS  91          1HZ       LYS  91  -0.147   0.883  12.686
  693    HZ2  LYS  91          2HZ       LYS  91  -0.825  -0.575  12.376
  694    HZ3  LYS  91          3HZ       LYS  91  -1.568   0.783  11.845
  695    H    ALA  92           H        ALA  92   2.604  -2.188   6.528
  696    HA   ALA  92           HA       ALA  92   3.247  -4.759   5.394
  697    HB1  ALA  92          1HB       ALA  92   5.392  -3.722   4.860
  698    HB2  ALA  92          2HB       ALA  92   4.052  -2.626   4.482
  699    HB3  ALA  92          3HB       ALA  92   5.029  -2.360   5.945
  700    H    SER  93           H        SER  93   3.512  -3.653   8.633
  701    HA   SER  93           HA       SER  93   5.057  -6.096   9.391
  702    HB2  SER  93          1HB       SER  93   5.154  -3.365  10.701
  703    HB3  SER  93          2HB       SER  93   5.833  -4.851  11.400
  704    HG   SER  93           HG       SER  93   7.452  -3.837  10.286
  705    H    ALA  94           H        ALA  94   2.258  -6.142   8.989
  706    HA   ALA  94           HA       ALA  94   0.681  -5.573  11.238
  707    HB1  ALA  94          1HB       ALA  94  -0.962  -7.077  10.161
  708    HB2  ALA  94          2HB       ALA  94  -0.196  -6.009   8.980
  709    HB3  ALA  94          3HB       ALA  94   0.308  -7.711   9.093
  710    H    HIS  95           H        HIS  95   2.783  -8.373  10.834
  711    HA   HIS  95           HA       HIS  95   1.435  -9.956  12.919
  712    HB2  HIS  95          1HB       HIS  95   3.985 -10.444  11.350
  713    HB3  HIS  95          2HB       HIS  95   3.298 -11.553  12.536
  714    HD2  HIS  95          2HD       HIS  95   2.876 -10.408   8.934
  715    HE1  HIS  95          1HE       HIS  95  -0.248 -13.233   9.621
  716    HE2  HIS  95          2HE       HIS  95   0.962 -11.862   7.846
  717    H    ASN  96           H        ASN  96   1.948 -10.083  15.024
  718    HA   ASN  96           HA       ASN  96   3.871  -8.185  16.134
  719    HB2  ASN  96          1HB       ASN  96   1.562  -8.588  17.061
  720    HB3  ASN  96          2HB       ASN  96   2.082 -10.201  17.555
  721   HD21  ASN  96          1HD2      ASN  96   2.509 -10.204  19.755
  722   HD22  ASN  96          2HD2      ASN  96   3.244  -8.845  20.605
  723    H    LYS  97           H        LYS  97   5.493  -8.734  17.725
  724    HA   LYS  97           HA       LYS  97   7.313 -10.775  16.883
  725    HB2  LYS  97          1HB       LYS  97   7.846  -8.553  17.926
  726    HB3  LYS  97          2HB       LYS  97   7.299  -9.183  19.485
  727    HG2  LYS  97          1HG       LYS  97   9.081 -10.891  19.435
  728    HG3  LYS  97          2HG       LYS  97   9.567 -10.360  17.811
  729    HD2  LYS  97          1HD       LYS  97  10.099  -8.105  18.736
  730    HD3  LYS  97          2HD       LYS  97   9.689  -8.672  20.359
  731    HE2  LYS  97          1HE       LYS  97  11.877  -9.847  18.576
  732    HE3  LYS  97          2HE       LYS  97  12.150  -8.637  19.829
  733    HZ1  LYS  97          1HZ       LYS  97  12.610 -10.845  20.675
  734    HZ2  LYS  97          2HZ       LYS  97  11.111 -11.376  20.318
  735    HZ3  LYS  97          3HZ       LYS  97  11.326 -10.238  21.475
  736    H    ASN  98           H        ASN  98   4.785 -10.885  19.299
  737    HA   ASN  98           HA       ASN  98   5.360 -13.761  19.760
  738    HB2  ASN  98          1HB       ASN  98   6.342 -12.407  21.647
  739    HB3  ASN  98          2HB       ASN  98   4.730 -11.779  21.994
  740   HD21  ASN  98          1HD2      ASN  98   6.764 -14.710  21.999
  741   HD22  ASN  98          2HD2      ASN  98   5.693 -15.616  23.057
  742    H    LEU  99           H        LEU  99   3.540 -15.042  20.250
  743    HA   LEU  99           HA       LEU  99   1.046 -13.953  19.119
  744    HB2  LEU  99          1HB       LEU  99   2.223 -15.929  18.181
  745    HB3  LEU  99          2HB       LEU  99   1.963 -16.793  19.695
  746    HG   LEU  99           HG       LEU  99  -0.481 -16.772  19.310
  747   HD11  LEU  99          1HD1      LEU  99  -0.762 -14.698  18.014
  748   HD12  LEU  99          2HD1      LEU  99  -1.368 -16.071  17.087
  749   HD13  LEU  99          3HD1      LEU  99   0.216 -15.368  16.688
  750   HD21  LEU  99          1HD2      LEU  99   0.895 -18.617  18.435
  751   HD22  LEU  99          2HD2      LEU  99   1.103 -17.745  16.901
  752   HD23  LEU  99          3HD2      LEU  99  -0.509 -18.305  17.403
  753    H    SER 100           H        SER 100   2.173 -14.823  22.306
  754    HA   SER 100           HA       SER 100  -0.315 -15.877  23.310
  755    HB2  SER 100          1HB       SER 100   2.109 -14.833  24.810
  756    HB3  SER 100          2HB       SER 100   0.767 -15.752  25.512
  757    HG   SER 100           HG       SER 100   2.549 -17.100  24.953
  758    H    GLY 101           H        GLY 101  -1.908 -15.007  24.529
  759    HA2  GLY 101          1HA       GLY 101  -2.343 -12.115  24.519
  760    HA3  GLY 101          2HA       GLY 101  -3.426 -13.351  25.153
  761    HA   PRO 102           HA       PRO 102  -1.142 -11.128  28.668
  762    HB2  PRO 102          1HB       PRO 102  -3.026  -9.387  29.576
  763    HB3  PRO 102          2HB       PRO 102  -1.981  -9.018  28.170
  764    HG2  PRO 102          1HG       PRO 102  -4.810 -10.134  28.138
  765    HG3  PRO 102          2HG       PRO 102  -4.169  -8.729  27.227
  766    HD2  PRO 102          1HD       PRO 102  -4.342 -11.215  26.114
  767    HD3  PRO 102          2HD       PRO 102  -2.981 -10.115  25.736
  768    H    SER 103           H        SER 103  -4.190 -12.782  28.326
  769    HA   SER 103           HA       SER 103  -3.978 -14.004  31.004
  770    HB2  SER 103          1HB       SER 103  -6.249 -13.465  31.632
  771    HB3  SER 103          2HB       SER 103  -5.392 -11.956  31.287
  772    HG   SER 103           HG       SER 103  -7.437 -11.954  30.295
  773    H    SER 104           H        SER 104  -5.886 -15.657  31.238
  774    HA   SER 104           HA       SER 104  -5.829 -17.490  28.983
  775    HB2  SER 104          1HB       SER 104  -7.190 -18.918  30.505
  776    HB3  SER 104          2HB       SER 104  -5.666 -18.359  31.210
  777    HG   SER 104           HG       SER 104  -7.451 -18.135  32.660
  778    H    GLY 105           H        GLY 105  -7.802 -14.823  29.555
  779    HA2  GLY 105          1HA       GLY 105  -9.654 -14.008  28.434
  780    HA3  GLY 105          2HA       GLY 105  -9.659 -15.450  27.423
  Start of MODEL   18
    1    H1   GLY   1          1H        GLY   1  26.032 -17.524  -1.077
    2    H2   GLY   1          2H        GLY   1  26.743 -16.664  -2.277
    3    H3   GLY   1          3H        GLY   1  26.143 -18.158  -2.585
    4    HA2  GLY   1          1HA       GLY   1  24.665 -16.479  -3.470
    5    HA3  GLY   1          2HA       GLY   1  23.894 -17.426  -2.185
    6    H    SER   2           H        SER   2  23.425 -14.623  -3.169
    7    HA   SER   2           HA       SER   2  24.332 -12.747  -1.203
    8    HB2  SER   2          1HB       SER   2  21.947 -12.572  -3.079
    9    HB3  SER   2          2HB       SER   2  22.720 -11.220  -2.226
   10    HG   SER   2           HG       SER   2  23.485 -11.429  -4.384
   11    H    SER   3           H        SER   3  23.213 -11.643   0.429
   12    HA   SER   3           HA       SER   3  21.324 -13.279   1.965
   13    HB2  SER   3          1HB       SER   3  21.855 -11.667   3.770
   14    HB3  SER   3          2HB       SER   3  23.283 -12.443   3.069
   15    HG   SER   3           HG       SER   3  23.556 -10.167   3.324
   16    H    GLY   4           H        GLY   4  20.777 -10.975  -0.356
   17    HA2  GLY   4          1HA       GLY   4  18.786  -9.279   0.832
   18    HA3  GLY   4          2HA       GLY   4  19.054  -9.534  -0.887
   19    H    SER   5           H        SER   5  16.566  -9.098  -0.189
   20    HA   SER   5           HA       SER   5  15.120 -11.663  -0.563
   21    HB2  SER   5          1HB       SER   5  15.145 -11.289   1.861
   22    HB3  SER   5          2HB       SER   5  14.510  -9.648   1.636
   23    HG   SER   5           HG       SER   5  12.926 -11.330   2.163
   24    H    SER   6           H        SER   6  13.044 -11.449  -1.451
   25    HA   SER   6           HA       SER   6  12.492  -9.036  -3.047
   26    HB2  SER   6          1HB       SER   6  10.878 -11.595  -2.786
   27    HB3  SER   6          2HB       SER   6  10.684 -10.337  -4.018
   28    HG   SER   6           HG       SER   6  12.813 -10.831  -4.753
   29    H    GLY   7           H        GLY   7  11.817  -9.871   0.141
   30    HA2  GLY   7          1HA       GLY   7   9.191  -8.586   0.413
   31    HA3  GLY   7          2HA       GLY   7  10.285  -9.079   1.703
   32    HA   PRO   8           HA       PRO   8  10.480  -4.393   1.240
   33    HB2  PRO   8          1HB       PRO   8   9.431  -3.642   3.640
   34    HB3  PRO   8          2HB       PRO   8   8.414  -4.012   2.213
   35    HG2  PRO   8          1HG       PRO   8   9.096  -5.845   4.534
   36    HG3  PRO   8          2HG       PRO   8   7.489  -5.528   3.807
   37    HD2  PRO   8          1HD       PRO   8   9.026  -7.701   3.140
   38    HD3  PRO   8          2HD       PRO   8   7.962  -6.896   1.953
   39    H    ILE   9           H        ILE   9  12.209  -3.225   2.039
   40    HA   ILE   9           HA       ILE   9  14.204  -4.741   3.522
   41    HB   ILE   9           HB       ILE   9  14.747  -3.473   1.485
   42   HG12  ILE   9          1HG1      ILE   9  16.829  -2.417   2.188
   43   HG13  ILE   9          2HG1      ILE   9  16.327  -2.437   3.872
   44   HG21  ILE   9          1HG2      ILE   9  14.982  -1.044   1.492
   45   HG22  ILE   9          2HG2      ILE   9  13.307  -1.486   1.827
   46   HG23  ILE   9          3HG2      ILE   9  14.365  -0.951   3.150
   47   HD11  ILE   9          1HD1      ILE   9  16.392  -4.909   3.883
   48   HD12  ILE   9          2HD1      ILE   9  16.744  -4.916   2.137
   49   HD13  ILE   9          3HD1      ILE   9  17.923  -4.256   3.288
   50    H    SER  10           H        SER  10  15.217  -4.205   5.473
   51    HA   SER  10           HA       SER  10  13.579  -3.177   7.534
   52    HB2  SER  10          1HB       SER  10  16.594  -3.562   7.567
   53    HB3  SER  10          2HB       SER  10  15.507  -3.523   8.969
   54    HG   SER  10           HG       SER  10  16.008  -5.672   8.334
   55    H    GLU  11           H        GLU  11  15.529  -1.370   5.357
   56    HA   GLU  11           HA       GLU  11  16.028   0.918   7.120
   57    HB2  GLU  11          1HB       GLU  11  16.281   0.583   4.103
   58    HB3  GLU  11          2HB       GLU  11  16.804   1.998   5.025
   59    HG2  GLU  11          1HG       GLU  11  18.335   0.526   6.362
   60    HG3  GLU  11          2HG       GLU  11  17.905  -0.829   5.316
   61    H    ARG  12           H        ARG  12  13.255  -0.168   5.458
   62    HA   ARG  12           HA       ARG  12  12.051   2.541   5.127
   63    HB2  ARG  12          1HB       ARG  12  11.134  -0.266   4.355
   64    HB3  ARG  12          2HB       ARG  12  10.134   1.168   4.141
   65    HG2  ARG  12          1HG       ARG  12  12.922   0.960   2.924
   66    HG3  ARG  12          2HG       ARG  12  11.477   0.368   2.093
   67    HD2  ARG  12          1HD       ARG  12  10.516   2.500   1.941
   68    HD3  ARG  12          2HD       ARG  12  11.580   3.191   3.173
   69    HE   ARG  12           HE       ARG  12  13.076   2.264   0.873
   70   HH11  ARG  12          1HH1      ARG  12  11.085   4.948   1.930
   71   HH12  ARG  12          2HH1      ARG  12  12.108   6.137   1.146
   72   HH21  ARG  12          1HH2      ARG  12  14.238   3.815  -0.244
   73   HH22  ARG  12          2HH2      ARG  12  13.782   5.488  -0.138
   74    H    ASN  13           H        ASN  13  10.013   3.089   6.067
   75    HA   ASN  13           HA       ASN  13   9.754   2.056   8.836
   76    HB2  ASN  13          1HB       ASN  13   9.703   4.485   8.411
   77    HB3  ASN  13          2HB       ASN  13   8.254   4.290   7.419
   78   HD21  ASN  13          1HD2      ASN  13   8.106   6.001   9.547
   79   HD22  ASN  13          2HD2      ASN  13   7.162   5.262  10.835
   80    H    GLN  14           H        GLN  14   9.142  -0.092   8.327
   81    HA   GLN  14           HA       GLN  14   7.063  -0.752   6.533
   82    HB2  GLN  14          1HB       GLN  14   8.207  -2.385   8.827
   83    HB3  GLN  14          2HB       GLN  14   7.174  -3.007   7.528
   84    HG2  GLN  14          1HG       GLN  14   8.874  -2.230   5.845
   85    HG3  GLN  14          2HG       GLN  14   9.936  -1.764   7.173
   86   HE21  GLN  14          1HE2      GLN  14  11.357  -3.316   5.852
   87   HE22  GLN  14          2HE2      GLN  14  11.228  -5.021   6.269
   88    H    ASP  15           H        ASP  15   6.680   0.435   9.783
   89    HA   ASP  15           HA       ASP  15   3.941  -0.640   9.973
   90    HB2  ASP  15          1HB       ASP  15   5.735  -0.122  11.918
   91    HB3  ASP  15          2HB       ASP  15   4.886   1.430  11.904
   92    H    ALA  16           H        ALA  16   5.500   2.307   8.895
   93    HA   ALA  16           HA       ALA  16   2.866   3.604   8.408
   94    HB1  ALA  16          1HB       ALA  16   4.699   4.957   9.426
   95    HB2  ALA  16          2HB       ALA  16   5.653   4.707   7.940
   96    HB3  ALA  16          3HB       ALA  16   4.118   5.591   7.876
   97    H    THR  17           H        THR  17   4.651   1.297   6.920
   98    HA   THR  17           HA       THR  17   3.889   2.149   4.169
   99    HB   THR  17           HB       THR  17   5.686  -0.148   4.979
  100    HG1  THR  17          1HG       THR  17   6.624   1.843   5.417
  101   HG21  THR  17          1HG2      THR  17   5.266   1.143   2.246
  102   HG22  THR  17          2HG2      THR  17   4.678  -0.465   2.727
  103   HG23  THR  17          3HG2      THR  17   6.416  -0.142   2.625
  104    H    VAL  18           H        VAL  18   2.322   1.112   3.078
  105    HA   VAL  18           HA       VAL  18   0.950  -1.184   4.420
  106    HB   VAL  18           HB       VAL  18  -1.001  -0.753   3.127
  107   HG11  VAL  18          1HG1      VAL  18  -1.689   1.370   4.078
  108   HG12  VAL  18          2HG1      VAL  18  -0.641   0.530   5.241
  109   HG13  VAL  18          3HG1      VAL  18  -0.011   1.887   4.284
  110   HG21  VAL  18          1HG2      VAL  18   0.432   1.611   1.894
  111   HG22  VAL  18          2HG2      VAL  18  -0.035   0.131   1.021
  112   HG23  VAL  18          3HG2      VAL  18  -1.279   1.202   1.677
  113    H    TYR  19           H        TYR  19   0.470  -3.012   3.288
  114    HA   TYR  19           HA       TYR  19   2.055  -3.638   0.832
  115    HB2  TYR  19          1HB       TYR  19   2.475  -5.240   2.548
  116    HB3  TYR  19          2HB       TYR  19   0.791  -5.285   3.043
  117    HD1  TYR  19          1HD       TYR  19   3.194  -6.453   0.457
  118    HD2  TYR  19          2HD       TYR  19  -0.869  -6.626   1.897
  119    HE1  TYR  19          1HE       TYR  19   2.775  -8.446  -0.966
  120    HE2  TYR  19          2HE       TYR  19  -1.300  -8.595   0.429
  121    HH   TYR  19           HH       TYR  19   1.255 -10.024  -1.639
  122    H    VAL  20           H        VAL  20   0.992  -4.151  -1.019
  123    HA   VAL  20           HA       VAL  20  -1.991  -4.298  -1.047
  124    HB   VAL  20           HB       VAL  20  -0.332  -2.945  -3.208
  125   HG11  VAL  20          1HG1      VAL  20  -2.470  -3.967  -3.946
  126   HG12  VAL  20          2HG1      VAL  20  -3.335  -3.090  -2.677
  127   HG13  VAL  20          3HG1      VAL  20  -2.558  -2.198  -3.998
  128   HG21  VAL  20          1HG2      VAL  20  -1.995  -1.620  -1.028
  129   HG22  VAL  20          2HG2      VAL  20  -0.236  -1.496  -1.236
  130   HG23  VAL  20          3HG2      VAL  20  -1.305  -0.812  -2.456
  131    H    GLY  21           H        GLY  21  -2.514  -6.297  -1.674
  132    HA2  GLY  21          1HA       GLY  21  -0.747  -7.800  -3.592
  133    HA3  GLY  21          2HA       GLY  21  -1.739  -8.540  -2.344
  134    H    GLY  22           H        GLY  22  -1.630  -8.739  -5.384
  135    HA2  GLY  22          1HA       GLY  22  -3.364  -9.763  -6.659
  136    HA3  GLY  22          2HA       GLY  22  -4.594  -8.886  -5.748
  137    H    LEU  23           H        LEU  23  -1.674  -7.546  -7.319
  138    HA   LEU  23           HA       LEU  23  -3.179  -5.318  -8.419
  139    HB2  LEU  23          1HB       LEU  23  -0.267  -6.170  -8.716
  140    HB3  LEU  23          2HB       LEU  23  -0.931  -4.635  -9.259
  141    HG   LEU  23           HG       LEU  23  -0.712  -5.573  -6.364
  142   HD11  LEU  23          1HD1      LEU  23   0.717  -3.374  -7.905
  143   HD12  LEU  23          2HD1      LEU  23   1.412  -4.939  -7.442
  144   HD13  LEU  23          3HD1      LEU  23   0.931  -3.776  -6.190
  145   HD21  LEU  23          1HD2      LEU  23  -2.641  -4.198  -6.416
  146   HD22  LEU  23          2HD2      LEU  23  -1.931  -3.069  -7.581
  147   HD23  LEU  23          3HD2      LEU  23  -1.326  -3.125  -5.917
  148    H    ASP  24           H        ASP  24  -3.306  -4.730 -10.602
  149    HA   ASP  24           HA       ASP  24  -3.389  -6.999 -12.482
  150    HB2  ASP  24          1HB       ASP  24  -5.392  -5.569 -12.256
  151    HB3  ASP  24          2HB       ASP  24  -4.446  -4.149 -12.701
  152    H    GLU  25           H        GLU  25  -2.472  -6.738 -14.700
  153    HA   GLU  25           HA       GLU  25   0.253  -5.951 -14.675
  154    HB2  GLU  25          1HB       GLU  25   0.269  -6.492 -17.012
  155    HB3  GLU  25          2HB       GLU  25  -0.685  -7.683 -16.133
  156    HG2  GLU  25          1HG       GLU  25  -2.780  -6.538 -16.894
  157    HG3  GLU  25          2HG       GLU  25  -1.804  -5.378 -17.795
  158    H    LYS  26           H        LYS  26  -2.560  -3.958 -15.337
  159    HA   LYS  26           HA       LYS  26  -1.133  -1.801 -16.676
  160    HB2  LYS  26          1HB       LYS  26  -3.841  -2.039 -15.370
  161    HB3  LYS  26          2HB       LYS  26  -3.253  -0.546 -16.117
  162    HG2  LYS  26          1HG       LYS  26  -3.015  -1.608 -18.284
  163    HG3  LYS  26          2HG       LYS  26  -3.332  -3.206 -17.610
  164    HD2  LYS  26          1HD       LYS  26  -5.303  -2.386 -18.758
  165    HD3  LYS  26          2HD       LYS  26  -5.587  -2.619 -17.033
  166    HE2  LYS  26          1HE       LYS  26  -6.705  -0.602 -17.679
  167    HE3  LYS  26          2HE       LYS  26  -5.337  -0.175 -16.651
  168    HZ1  LYS  26          1HZ       LYS  26  -5.362  -0.008 -19.626
  169    HZ2  LYS  26          2HZ       LYS  26  -4.099   0.420 -18.680
  170    HZ3  LYS  26          3HZ       LYS  26  -5.492   1.265 -18.616
  171    H    VAL  27           H        VAL  27  -1.211  -2.747 -13.362
  172    HA   VAL  27           HA       VAL  27  -1.090  -0.104 -12.167
  173    HB   VAL  27           HB       VAL  27  -0.416  -2.834 -11.010
  174   HG11  VAL  27          1HG1      VAL  27   0.701  -1.133  -9.661
  175   HG12  VAL  27          2HG1      VAL  27  -0.786  -0.167  -9.587
  176   HG13  VAL  27          3HG1      VAL  27  -0.699  -1.753  -8.815
  177   HG21  VAL  27          1HG2      VAL  27  -2.910  -1.080 -10.787
  178   HG22  VAL  27          2HG2      VAL  27  -2.794  -2.625 -11.649
  179   HG23  VAL  27          3HG2      VAL  27  -2.637  -2.585  -9.892
  180    H    SER  28           H        SER  28   0.609   1.106 -11.473
  181    HA   SER  28           HA       SER  28   3.390   0.079 -11.747
  182    HB2  SER  28          1HB       SER  28   4.096   2.126 -12.826
  183    HB3  SER  28          2HB       SER  28   2.802   1.387 -13.778
  184    HG   SER  28           HG       SER  28   2.400   3.600 -13.544
  185    H    GLU  29           H        GLU  29   4.994   1.389 -10.506
  186    HA   GLU  29           HA       GLU  29   4.101   1.942  -7.868
  187    HB2  GLU  29          1HB       GLU  29   6.642   2.393  -9.436
  188    HB3  GLU  29          2HB       GLU  29   6.488   3.261  -7.925
  189    HG2  GLU  29          1HG       GLU  29   6.639   1.414  -6.618
  190    HG3  GLU  29          2HG       GLU  29   5.766   0.398  -7.738
  191    HA   PRO  30           HA       PRO  30   4.009   6.662  -8.945
  192    HB2  PRO  30          1HB       PRO  30   3.241   6.416 -11.857
  193    HB3  PRO  30          2HB       PRO  30   4.100   7.751 -11.025
  194    HG2  PRO  30          1HG       PRO  30   5.506   5.972 -12.485
  195    HG3  PRO  30          2HG       PRO  30   6.110   6.440 -10.859
  196    HD2  PRO  30          1HD       PRO  30   4.523   3.980 -11.635
  197    HD3  PRO  30          2HD       PRO  30   6.001   4.097 -10.640
  198    H    LEU  31           H        LEU  31   1.873   4.187 -10.437
  199    HA   LEU  31           HA       LEU  31  -0.568   5.735 -10.075
  200    HB2  LEU  31          1HB       LEU  31  -0.399   3.835 -11.696
  201    HB3  LEU  31          2HB       LEU  31  -0.156   2.731 -10.347
  202    HG   LEU  31           HG       LEU  31  -2.443   3.463  -9.429
  203   HD11  LEU  31          1HD1      LEU  31  -2.634   4.600 -12.245
  204   HD12  LEU  31          2HD1      LEU  31  -2.694   5.538 -10.729
  205   HD13  LEU  31          3HD1      LEU  31  -3.991   4.395 -11.111
  206   HD21  LEU  31          1HD2      LEU  31  -2.112   1.331 -10.499
  207   HD22  LEU  31          2HD2      LEU  31  -2.188   2.078 -12.119
  208   HD23  LEU  31          3HD2      LEU  31  -3.630   2.025 -11.081
  209    H    LEU  32           H        LEU  32   1.028   3.062  -8.272
  210    HA   LEU  32           HA       LEU  32  -0.806   3.072  -6.083
  211    HB2  LEU  32          1HB       LEU  32   2.172   2.361  -6.065
  212    HB3  LEU  32          2HB       LEU  32   0.996   1.955  -4.818
  213    HG   LEU  32           HG       LEU  32   1.183   0.836  -7.611
  214   HD11  LEU  32          1HD1      LEU  32   2.604  -0.098  -5.788
  215   HD12  LEU  32          2HD1      LEU  32   1.405  -1.266  -6.386
  216   HD13  LEU  32          3HD1      LEU  32   1.132  -0.429  -4.837
  217   HD21  LEU  32          1HD2      LEU  32  -0.819  -0.567  -6.894
  218   HD22  LEU  32          2HD2      LEU  32  -1.176   1.132  -7.267
  219   HD23  LEU  32          3HD2      LEU  32  -1.061   0.585  -5.571
  220    H    TRP  33           H        TRP  33   1.828   5.241  -6.767
  221    HA   TRP  33           HA       TRP  33   1.799   6.493  -4.141
  222    HB2  TRP  33          1HB       TRP  33   3.645   6.527  -5.891
  223    HB3  TRP  33          2HB       TRP  33   2.720   7.714  -6.773
  224    HD1  TRP  33           HD       TRP  33   1.918   9.638  -4.307
  225    HE1  TRP  33          1HE       TRP  33   3.758  11.036  -3.165
  226    HE3  TRP  33          3HE       TRP  33   5.967   6.913  -5.741
  227    HZ2  TRP  33          2HZ       TRP  33   6.650  11.025  -3.003
  228    HZ3  TRP  33          3HZ       TRP  33   8.284   7.640  -5.126
  229    HH2  TRP  33           HH       TRP  33   8.624   9.694  -3.765
  230    H    GLU  34           H        GLU  34   0.691   7.802  -7.285
  231    HA   GLU  34           HA       GLU  34  -0.718   9.970  -6.100
  232    HB2  GLU  34          1HB       GLU  34  -0.999   8.721  -8.870
  233    HB3  GLU  34          2HB       GLU  34  -1.722  10.259  -8.372
  234    HG2  GLU  34          1HG       GLU  34   0.583  11.042  -7.714
  235    HG3  GLU  34          2HG       GLU  34   1.253   9.618  -8.499
  236    H    LEU  35           H        LEU  35  -1.941   6.752  -6.871
  237    HA   LEU  35           HA       LEU  35  -4.739   7.398  -6.517
  238    HB2  LEU  35          1HB       LEU  35  -3.609   5.303  -7.638
  239    HB3  LEU  35          2HB       LEU  35  -3.475   4.700  -5.985
  240    HG   LEU  35           HG       LEU  35  -6.030   5.126  -5.851
  241   HD11  LEU  35          1HD1      LEU  35  -5.690   5.047  -8.871
  242   HD12  LEU  35          2HD1      LEU  35  -6.264   6.439  -7.925
  243   HD13  LEU  35          3HD1      LEU  35  -7.228   4.958  -7.986
  244   HD21  LEU  35          1HD2      LEU  35  -5.006   2.905  -5.870
  245   HD22  LEU  35          2HD2      LEU  35  -4.913   2.947  -7.648
  246   HD23  LEU  35          3HD2      LEU  35  -6.494   2.921  -6.824
  247    H    PHE  36           H        PHE  36  -2.136   6.561  -4.260
  248    HA   PHE  36           HA       PHE  36  -3.998   6.092  -2.013
  249    HB2  PHE  36          1HB       PHE  36  -1.068   5.669  -2.508
  250    HB3  PHE  36          2HB       PHE  36  -1.667   5.683  -0.897
  251    HD1  PHE  36          1HD       PHE  36  -2.378   3.983  -4.192
  252    HD2  PHE  36          2HD       PHE  36  -2.438   3.701   0.097
  253    HE1  PHE  36          1HE       PHE  36  -3.082   1.612  -4.363
  254    HE2  PHE  36          2HE       PHE  36  -3.179   1.336  -0.068
  255    HZ   PHE  36           HZ       PHE  36  -3.524   0.296  -2.298
  256    H    LEU  37           H        LEU  37  -2.264   8.787  -3.272
  257    HA   LEU  37           HA       LEU  37  -1.925  10.400  -0.982
  258    HB2  LEU  37          1HB       LEU  37  -2.793  11.043  -3.823
  259    HB3  LEU  37          2HB       LEU  37  -2.472  12.289  -2.625
  260    HG   LEU  37           HG       LEU  37  -0.419  10.305  -3.641
  261   HD11  LEU  37          1HD1      LEU  37  -1.103  12.075  -5.265
  262   HD12  LEU  37          2HD1      LEU  37   0.579  12.246  -4.725
  263   HD13  LEU  37          3HD1      LEU  37  -0.683  13.306  -4.060
  264   HD21  LEU  37          1HD2      LEU  37   0.074  10.917  -1.334
  265   HD22  LEU  37          2HD2      LEU  37  -0.173  12.636  -1.697
  266   HD23  LEU  37          3HD2      LEU  37   1.199  11.751  -2.414
  267    H    GLN  38           H        GLN  38  -4.871   9.238  -2.261
  268    HA   GLN  38           HA       GLN  38  -6.773  11.114  -1.205
  269    HB2  GLN  38          1HB       GLN  38  -7.052   8.096  -1.579
  270    HB3  GLN  38          2HB       GLN  38  -8.373   9.266  -1.423
  271    HG2  GLN  38          1HG       GLN  38  -7.645  10.359  -3.537
  272    HG3  GLN  38          2HG       GLN  38  -6.325   9.189  -3.658
  273   HE21  GLN  38          1HE2      GLN  38  -7.685   9.121  -5.872
  274   HE22  GLN  38          2HE2      GLN  38  -8.873   7.826  -5.905
  275    H    ALA  39           H        ALA  39  -5.037   8.385   0.266
  276    HA   ALA  39           HA       ALA  39  -6.604   8.438   2.750
  277    HB1  ALA  39          1HB       ALA  39  -4.024   7.013   1.981
  278    HB2  ALA  39          2HB       ALA  39  -4.948   6.735   3.465
  279    HB3  ALA  39          3HB       ALA  39  -5.658   6.338   1.885
  280    H    GLY  40           H        GLY  40  -3.295   9.399   1.778
  281    HA2  GLY  40          1HA       GLY  40  -3.175  11.718   3.434
  282    HA3  GLY  40          2HA       GLY  40  -2.381  10.374   4.261
  283    HA   PRO  41           HA       PRO  41   0.605  12.522   1.334
  284    HB2  PRO  41          1HB       PRO  41   2.616  13.039   3.136
  285    HB3  PRO  41          2HB       PRO  41   1.213  14.116   2.864
  286    HG2  PRO  41          1HG       PRO  41   1.532  11.999   5.012
  287    HG3  PRO  41          2HG       PRO  41   1.037  13.706   5.219
  288    HD2  PRO  41          1HD       PRO  41  -0.767  11.682   5.074
  289    HD3  PRO  41          2HD       PRO  41  -1.123  13.234   4.262
  290    H    VAL  42           H        VAL  42   1.308  10.937   0.100
  291    HA   VAL  42           HA       VAL  42   2.756   8.577   1.122
  292    HB   VAL  42           HB       VAL  42   2.048   9.382  -1.716
  293   HG11  VAL  42          1HG1      VAL  42   2.642   6.997  -2.232
  294   HG12  VAL  42          2HG1      VAL  42   4.033   7.957  -1.759
  295   HG13  VAL  42          3HG1      VAL  42   3.299   6.835  -0.594
  296   HG21  VAL  42          1HG2      VAL  42   0.835   7.261   0.098
  297   HG22  VAL  42          2HG2      VAL  42   0.048   8.778  -0.385
  298   HG23  VAL  42          3HG2      VAL  42   0.409   7.556  -1.602
  299    H    VAL  43           H        VAL  43   4.844   8.300   1.070
  300    HA   VAL  43           HA       VAL  43   6.624  10.583   0.348
  301    HB   VAL  43           HB       VAL  43   7.256   8.241   2.178
  302   HG11  VAL  43          1HG1      VAL  43   8.801   9.860   3.233
  303   HG12  VAL  43          2HG1      VAL  43   9.181   9.632   1.519
  304   HG13  VAL  43          3HG1      VAL  43   8.319  11.096   2.057
  305   HG21  VAL  43          1HG2      VAL  43   6.647   9.666   4.096
  306   HG22  VAL  43          2HG2      VAL  43   5.956  10.875   2.984
  307   HG23  VAL  43          3HG2      VAL  43   5.249   9.247   3.114
  308    H    ASN  44           H        ASN  44   6.150   7.120  -0.134
  309    HA   ASN  44           HA       ASN  44   7.986   6.957  -2.402
  310    HB2  ASN  44          1HB       ASN  44   9.667   6.823  -0.745
  311    HB3  ASN  44          2HB       ASN  44   8.645   5.945   0.369
  312   HD21  ASN  44          1HD2      ASN  44   9.265   3.920   0.672
  313   HD22  ASN  44          2HD2      ASN  44   9.956   2.873  -0.579
  314    H    THR  45           H        THR  45   7.861   4.863  -3.489
  315    HA   THR  45           HA       THR  45   5.835   2.915  -2.543
  316    HB   THR  45           HB       THR  45   5.246   2.547  -5.025
  317    HG1  THR  45          1HG       THR  45   5.233   4.499  -6.201
  318   HG21  THR  45          1HG2      THR  45   4.190   5.084  -3.761
  319   HG22  THR  45          2HG2      THR  45   3.693   3.428  -3.325
  320   HG23  THR  45          3HG2      THR  45   3.411   4.008  -4.961
  321    H    HIS  46           H        HIS  46   6.101   0.773  -3.290
  322    HA   HIS  46           HA       HIS  46   8.652   0.110  -4.693
  323    HB2  HIS  46          1HB       HIS  46   8.977   0.093  -2.146
  324    HB3  HIS  46          2HB       HIS  46   7.765  -1.159  -2.079
  325    HD2  HIS  46          2HD       HIS  46   9.602  -2.788  -0.984
  326    HE1  HIS  46          1HE       HIS  46  11.836  -3.468  -4.552
  327    HE2  HIS  46          2HE       HIS  46  11.466  -4.238  -2.152
  328    H    MET  47           H        MET  47   8.288  -1.413  -6.237
  329    HA   MET  47           HA       MET  47   6.260  -3.561  -5.716
  330    HB2  MET  47          1HB       MET  47   6.503  -1.933  -8.257
  331    HB3  MET  47          2HB       MET  47   5.779  -3.541  -8.204
  332    HG2  MET  47          1HG       MET  47   4.073  -2.855  -6.689
  333    HG3  MET  47          2HG       MET  47   4.837  -1.292  -6.404
  334    HE1  MET  47          1HE       MET  47   2.530  -2.503 -10.208
  335    HE2  MET  47          2HE       MET  47   4.216  -3.012  -9.994
  336    HE3  MET  47          3HE       MET  47   2.971  -3.572  -8.850
  337    HA   PRO  48           HA       PRO  48  10.314  -5.459  -6.453
  338    HB2  PRO  48          1HB       PRO  48   8.731  -7.857  -5.519
  339    HB3  PRO  48          2HB       PRO  48  10.411  -7.386  -5.108
  340    HG2  PRO  48          1HG       PRO  48   8.419  -6.866  -3.366
  341    HG3  PRO  48          2HG       PRO  48   9.631  -5.598  -3.711
  342    HD2  PRO  48          1HD       PRO  48   6.845  -5.904  -4.873
  343    HD3  PRO  48          2HD       PRO  48   7.640  -4.440  -4.209
  344    H    LYS  49           H        LYS  49  11.054  -6.164  -8.357
  345    HA   LYS  49           HA       LYS  49   9.142  -7.103 -10.406
  346    HB2  LYS  49          1HB       LYS  49  12.043  -6.277 -10.753
  347    HB3  LYS  49          2HB       LYS  49  10.855  -6.531 -12.022
  348    HG2  LYS  49          1HG       LYS  49  10.900  -4.293  -9.971
  349    HG3  LYS  49          2HG       LYS  49  11.209  -4.172 -11.703
  350    HD2  LYS  49          1HD       LYS  49   8.824  -4.883 -12.131
  351    HD3  LYS  49          2HD       LYS  49   8.528  -4.813 -10.393
  352    HE2  LYS  49          1HE       LYS  49   9.317  -2.498 -12.218
  353    HE3  LYS  49          2HE       LYS  49   7.745  -2.776 -11.467
  354    HZ1  LYS  49          1HZ       LYS  49   8.990  -2.617  -9.275
  355    HZ2  LYS  49          2HZ       LYS  49   8.806  -1.209 -10.080
  356    HZ3  LYS  49          3HZ       LYS  49  10.250  -1.989 -10.109
  357    H    ASP  50           H        ASP  50   9.416  -8.803 -11.753
  358    HA   ASP  50           HA       ASP  50  10.524 -11.265 -10.761
  359    HB2  ASP  50          1HB       ASP  50   8.570 -11.187 -12.228
  360    HB3  ASP  50          2HB       ASP  50   9.500 -10.384 -13.488
  361    H    ARG  51           H        ARG  51  12.417 -12.309 -11.212
  362    HA   ARG  51           HA       ARG  51  14.628 -10.666 -12.122
  363    HB2  ARG  51          1HB       ARG  51  16.056 -12.329 -11.207
  364    HB3  ARG  51          2HB       ARG  51  14.734 -12.011 -10.089
  365    HG2  ARG  51          1HG       ARG  51  13.575 -14.083 -10.884
  366    HG3  ARG  51          2HG       ARG  51  14.939 -14.427 -11.957
  367    HD2  ARG  51          1HD       ARG  51  15.128 -14.152  -8.931
  368    HD3  ARG  51          2HD       ARG  51  14.972 -15.682  -9.808
  369    HE   ARG  51           HE       ARG  51  17.186 -14.376 -10.937
  370   HH11  ARG  51          1HH1      ARG  51  16.408 -15.718  -7.796
  371   HH12  ARG  51          2HH1      ARG  51  18.079 -16.044  -7.418
  372   HH21  ARG  51          1HH2      ARG  51  19.666 -15.544  -8.858
  373   HH22  ARG  51          2HH2      ARG  51  19.297 -14.810 -10.390
  374    H    VAL  52           H        VAL  52  12.652 -12.054 -14.179
  375    HA   VAL  52           HA       VAL  52  14.807 -12.899 -16.093
  376    HB   VAL  52           HB       VAL  52  12.118 -14.295 -15.764
  377   HG11  VAL  52          1HG1      VAL  52  13.112 -15.984 -17.285
  378   HG12  VAL  52          2HG1      VAL  52  12.965 -14.414 -18.067
  379   HG13  VAL  52          3HG1      VAL  52  14.552 -14.960 -17.476
  380   HG21  VAL  52          1HG2      VAL  52  13.461 -16.252 -14.982
  381   HG22  VAL  52          2HG2      VAL  52  14.898 -15.207 -14.904
  382   HG23  VAL  52          3HG2      VAL  52  13.494 -14.906 -13.851
  383    H    THR  53           H        THR  53  11.521 -11.625 -15.616
  384    HA   THR  53           HA       THR  53  11.472 -10.605 -18.422
  385    HB   THR  53           HB       THR  53   9.041 -10.625 -18.227
  386    HG1  THR  53          1HG       THR  53   9.484 -11.828 -15.695
  387   HG21  THR  53          1HG2      THR  53  10.148 -12.706 -19.017
  388   HG22  THR  53          2HG2      THR  53   8.610 -13.010 -18.187
  389   HG23  THR  53          3HG2      THR  53  10.145 -13.329 -17.352
  390    H    GLY  54           H        GLY  54  11.684  -9.612 -15.157
  391    HA2  GLY  54          1HA       GLY  54  11.906  -7.576 -14.225
  392    HA3  GLY  54          2HA       GLY  54  11.904  -6.888 -15.852
  393    H    GLN  55           H        GLN  55   9.031  -8.623 -15.256
  394    HA   GLN  55           HA       GLN  55   7.410  -6.174 -15.022
  395    HB2  GLN  55          1HB       GLN  55   6.503  -9.077 -15.097
  396    HB3  GLN  55          2HB       GLN  55   5.522  -7.640 -15.381
  397    HG2  GLN  55          1HG       GLN  55   7.700  -8.782 -17.171
  398    HG3  GLN  55          2HG       GLN  55   5.983  -8.689 -17.503
  399   HE21  GLN  55          1HE2      GLN  55   8.970  -7.147 -18.070
  400   HE22  GLN  55          2HE2      GLN  55   8.311  -5.605 -18.614
  401    H    HIS  56           H        HIS  56   5.599  -6.089 -13.342
  402    HA   HIS  56           HA       HIS  56   6.695  -6.667 -10.697
  403    HB2  HIS  56          1HB       HIS  56   4.944  -5.503  -9.770
  404    HB3  HIS  56          2HB       HIS  56   5.298  -4.643 -11.259
  405    HD2  HIS  56          2HD       HIS  56   3.171  -4.029 -12.644
  406    HE1  HIS  56          1HE       HIS  56   0.388  -6.758 -10.927
  407    HE2  HIS  56          2HE       HIS  56   0.643  -4.790 -12.494
  408    H    GLN  57           H        GLN  57   5.731  -7.948  -9.064
  409    HA   GLN  57           HA       GLN  57   4.948 -10.573 -10.177
  410    HB2  GLN  57          1HB       GLN  57   6.210  -9.739  -7.554
  411    HB3  GLN  57          2HB       GLN  57   5.822 -11.412  -7.984
  412    HG2  GLN  57          1HG       GLN  57   7.312 -11.341  -9.917
  413    HG3  GLN  57          2HG       GLN  57   7.677  -9.637  -9.630
  414   HE21  GLN  57          1HE2      GLN  57   8.632  -9.103  -7.444
  415   HE22  GLN  57          2HE2      GLN  57   9.778 -10.277  -6.780
  416    H    GLY  58           H        GLY  58   2.908  -8.397  -9.653
  417    HA2  GLY  58          1HA       GLY  58   0.634  -8.579  -9.238
  418    HA3  GLY  58          2HA       GLY  58   0.877 -10.125  -8.431
  419    H    TYR  59           H        TYR  59   3.005  -7.900  -7.023
  420    HA   TYR  59           HA       TYR  59   1.037  -6.751  -5.159
  421    HB2  TYR  59          1HB       TYR  59   2.081  -7.546  -3.192
  422    HB3  TYR  59          2HB       TYR  59   1.704  -8.934  -4.186
  423    HD1  TYR  59          1HD       TYR  59   3.577 -10.101  -5.462
  424    HD2  TYR  59          2HD       TYR  59   4.327  -7.073  -2.480
  425    HE1  TYR  59          1HE       TYR  59   5.939 -10.870  -5.271
  426    HE2  TYR  59          2HE       TYR  59   6.664  -7.893  -2.245
  427    HH   TYR  59           HH       TYR  59   8.264  -9.349  -3.002
  428    H    GLY  60           H        GLY  60   1.848  -5.112  -3.779
  429    HA2  GLY  60          1HA       GLY  60   4.425  -3.808  -4.386
  430    HA3  GLY  60          2HA       GLY  60   2.957  -2.945  -4.853
  431    H    PHE  61           H        PHE  61   4.366  -1.562  -3.261
  432    HA   PHE  61           HA       PHE  61   2.963  -1.582  -0.658
  433    HB2  PHE  61          1HB       PHE  61   5.945  -1.131  -0.982
  434    HB3  PHE  61          2HB       PHE  61   5.056  -1.082   0.507
  435    HD1  PHE  61          1HD       PHE  61   4.409  -3.122   1.689
  436    HD2  PHE  61          2HD       PHE  61   6.532  -3.288  -2.056
  437    HE1  PHE  61          1HE       PHE  61   4.990  -5.503   2.121
  438    HE2  PHE  61          2HE       PHE  61   7.094  -5.664  -1.635
  439    HZ   PHE  61           HZ       PHE  61   6.297  -6.788   0.437
  440    H    VAL  62           H        VAL  62   2.822   0.426   0.377
  441    HA   VAL  62           HA       VAL  62   3.757   2.860  -1.088
  442    HB   VAL  62           HB       VAL  62   0.975   2.677   0.118
  443   HG11  VAL  62          1HG1      VAL  62   0.617   4.741  -1.140
  444   HG12  VAL  62          2HG1      VAL  62   1.945   4.925   0.002
  445   HG13  VAL  62          3HG1      VAL  62   2.286   4.691  -1.733
  446   HG21  VAL  62          1HG2      VAL  62   1.774   2.354  -2.783
  447   HG22  VAL  62          2HG2      VAL  62   0.917   1.167  -1.774
  448   HG23  VAL  62          3HG2      VAL  62   0.122   2.674  -2.218
  449    H    GLU  63           H        GLU  63   4.912   4.126   0.223
  450    HA   GLU  63           HA       GLU  63   4.788   3.714   3.170
  451    HB2  GLU  63          1HB       GLU  63   6.929   3.399   1.984
  452    HB3  GLU  63          2HB       GLU  63   6.861   5.092   1.459
  453    HG2  GLU  63          1HG       GLU  63   7.104   5.904   3.697
  454    HG3  GLU  63          2HG       GLU  63   6.798   4.313   4.394
  455    H    PHE  64           H        PHE  64   3.648   5.084   4.344
  456    HA   PHE  64           HA       PHE  64   3.008   7.805   3.348
  457    HB2  PHE  64          1HB       PHE  64   1.854   6.065   5.553
  458    HB3  PHE  64          2HB       PHE  64   1.447   7.754   5.336
  459    HD1  PHE  64          1HD       PHE  64   0.170   8.570   3.457
  460    HD2  PHE  64          2HD       PHE  64   1.082   4.376   3.863
  461    HE1  PHE  64          1HE       PHE  64  -1.588   8.020   1.782
  462    HE2  PHE  64          2HE       PHE  64  -0.681   3.836   2.191
  463    HZ   PHE  64           HZ       PHE  64  -2.042   5.678   1.189
  464    H    LEU  65           H        LEU  65   3.088   9.600   4.798
  465    HA   LEU  65           HA       LEU  65   5.577   9.926   6.124
  466    HB2  LEU  65          1HB       LEU  65   3.956  11.668   5.084
  467    HB3  LEU  65          2HB       LEU  65   3.065  11.553   6.607
  468    HG   LEU  65           HG       LEU  65   5.273  12.181   7.776
  469   HD11  LEU  65          1HD1      LEU  65   5.981  12.997   4.920
  470   HD12  LEU  65          2HD1      LEU  65   6.816  11.754   5.880
  471   HD13  LEU  65          3HD1      LEU  65   6.886  13.448   6.381
  472   HD21  LEU  65          1HD2      LEU  65   4.950  14.588   7.304
  473   HD22  LEU  65          2HD2      LEU  65   3.396  13.760   7.488
  474   HD23  LEU  65          3HD2      LEU  65   3.985  14.182   5.865
  475    H    SER  66           H        SER  66   2.417   8.967   7.397
  476    HA   SER  66           HA       SER  66   3.617   8.339  10.056
  477    HB2  SER  66          1HB       SER  66   0.921   9.704   9.881
  478    HB3  SER  66          2HB       SER  66   1.963   9.444  11.283
  479    HG   SER  66           HG       SER  66   2.153  11.364   9.250
  480    H    GLU  67           H        GLU  67   2.544   6.900  11.314
  481    HA   GLU  67           HA       GLU  67   1.604   4.596   9.941
  482    HB2  GLU  67          1HB       GLU  67   1.465   5.395  12.862
  483    HB3  GLU  67          2HB       GLU  67   1.244   3.758  12.233
  484    HG2  GLU  67          1HG       GLU  67   3.518   3.638  11.446
  485    HG3  GLU  67          2HG       GLU  67   3.814   5.326  11.859
  486    H    GLU  68           H        GLU  68  -0.208   7.210  11.533
  487    HA   GLU  68           HA       GLU  68  -2.782   5.886  11.393
  488    HB2  GLU  68          1HB       GLU  68  -3.711   8.029  12.014
  489    HB3  GLU  68          2HB       GLU  68  -2.322   7.632  13.023
  490    HG2  GLU  68          1HG       GLU  68  -0.903   9.169  11.634
  491    HG3  GLU  68          2HG       GLU  68  -2.329   9.595  10.685
  492    H    ASP  69           H        ASP  69  -0.917   7.713   9.039
  493    HA   ASP  69           HA       ASP  69  -3.174   8.115   7.190
  494    HB2  ASP  69          1HB       ASP  69  -0.166   8.343   6.821
  495    HB3  ASP  69          2HB       ASP  69  -1.354   8.745   5.599
  496    H    ALA  70           H        ALA  70  -0.603   5.707   7.746
  497    HA   ALA  70           HA       ALA  70  -1.215   4.085   5.432
  498    HB1  ALA  70          1HB       ALA  70   0.172   2.405   6.634
  499    HB2  ALA  70          2HB       ALA  70   0.944   4.003   6.629
  500    HB3  ALA  70          3HB       ALA  70   0.143   3.404   8.093
  501    H    ASP  71           H        ASP  71  -2.242   3.910   8.900
  502    HA   ASP  71           HA       ASP  71  -4.006   1.717   8.697
  503    HB2  ASP  71          1HB       ASP  71  -3.273   2.801  10.791
  504    HB3  ASP  71          2HB       ASP  71  -4.251   4.218  10.405
  505    H    TYR  72           H        TYR  72  -4.615   5.126   7.833
  506    HA   TYR  72           HA       TYR  72  -7.425   4.773   7.228
  507    HB2  TYR  72          1HB       TYR  72  -6.160   6.933   7.744
  508    HB3  TYR  72          2HB       TYR  72  -5.571   6.886   6.090
  509    HD1  TYR  72          1HD       TYR  72  -7.388   6.794   4.190
  510    HD2  TYR  72          2HD       TYR  72  -8.253   7.855   8.280
  511    HE1  TYR  72          1HE       TYR  72  -9.437   7.986   3.446
  512    HE2  TYR  72          2HE       TYR  72 -10.277   9.087   7.530
  513    HH   TYR  72           HH       TYR  72 -11.588   9.706   5.743
  514    H    ALA  73           H        ALA  73  -4.429   4.482   5.212
  515    HA   ALA  73           HA       ALA  73  -5.876   4.111   2.728
  516    HB1  ALA  73          1HB       ALA  73  -3.522   4.821   2.855
  517    HB2  ALA  73          2HB       ALA  73  -3.068   3.259   3.560
  518    HB3  ALA  73          3HB       ALA  73  -3.706   3.334   1.903
  519    H    ILE  74           H        ILE  74  -4.718   1.848   5.243
  520    HA   ILE  74           HA       ILE  74  -5.589  -0.564   3.940
  521    HB   ILE  74           HB       ILE  74  -5.311   0.027   6.914
  522   HG12  ILE  74          1HG1      ILE  74  -3.294  -1.372   5.105
  523   HG13  ILE  74          2HG1      ILE  74  -3.241   0.359   5.381
  524   HG21  ILE  74          1HG2      ILE  74  -6.616  -2.030   6.560
  525   HG22  ILE  74          2HG2      ILE  74  -5.441  -2.603   5.363
  526   HG23  ILE  74          3HG2      ILE  74  -4.999  -2.492   7.073
  527   HD11  ILE  74          1HD1      ILE  74  -2.982  -1.724   7.567
  528   HD12  ILE  74          2HD1      ILE  74  -1.687  -0.771   6.826
  529   HD13  ILE  74          3HD1      ILE  74  -2.934   0.044   7.777
  530    H    LYS  75           H        LYS  75  -7.328   1.849   5.876
  531    HA   LYS  75           HA       LYS  75  -9.793   0.381   6.133
  532    HB2  LYS  75          1HB       LYS  75  -9.118   2.328   7.544
  533    HB3  LYS  75          2HB       LYS  75  -9.354   3.397   6.156
  534    HG2  LYS  75          1HG       LYS  75 -11.742   2.733   6.036
  535    HG3  LYS  75          2HG       LYS  75 -11.479   1.668   7.420
  536    HD2  LYS  75          1HD       LYS  75 -12.475   3.657   8.271
  537    HD3  LYS  75          2HD       LYS  75 -10.769   3.744   8.745
  538    HE2  LYS  75          1HE       LYS  75 -10.300   5.280   6.872
  539    HE3  LYS  75          2HE       LYS  75 -11.958   5.098   6.278
  540    HZ1  LYS  75          1HZ       LYS  75 -11.732   7.120   7.576
  541    HZ2  LYS  75          2HZ       LYS  75 -11.207   6.301   8.890
  542    HZ3  LYS  75          3HZ       LYS  75 -12.741   6.108   8.358
  543    H    ILE  76           H        ILE  76  -8.766   2.850   3.704
  544    HA   ILE  76           HA       ILE  76 -11.321   2.504   2.325
  545    HB   ILE  76           HB       ILE  76 -10.591   4.299   0.867
  546   HG12  ILE  76          1HG1      ILE  76  -8.159   4.765   2.610
  547   HG13  ILE  76          2HG1      ILE  76  -8.044   3.824   1.144
  548   HG21  ILE  76          1HG2      ILE  76 -10.217   4.964   3.825
  549   HG22  ILE  76          2HG2      ILE  76 -10.810   6.049   2.553
  550   HG23  ILE  76          3HG2      ILE  76 -11.792   4.667   3.048
  551   HD11  ILE  76          1HD1      ILE  76  -8.896   6.715   1.408
  552   HD12  ILE  76          2HD1      ILE  76  -7.450   6.068   0.610
  553   HD13  ILE  76          3HD1      ILE  76  -9.041   5.781  -0.105
  554    H    MET  77           H        MET  77  -7.962   1.533   1.542
  555    HA   MET  77           HA       MET  77  -8.794   0.909  -1.215
  556    HB2  MET  77          1HB       MET  77  -6.131   1.008   0.126
  557    HB3  MET  77          2HB       MET  77  -6.324   0.437  -1.525
  558    HG2  MET  77          1HG       MET  77  -7.365   3.143  -0.673
  559    HG3  MET  77          2HG       MET  77  -5.704   2.908  -1.152
  560    HE1  MET  77          1HE       MET  77  -6.921   5.003  -2.381
  561    HE2  MET  77          2HE       MET  77  -5.629   4.427  -3.472
  562    HE3  MET  77          3HE       MET  77  -7.246   4.818  -4.111
  563    H    ASP  78           H        ASP  78  -9.169  -0.818   1.431
  564    HA   ASP  78           HA       ASP  78  -8.186  -3.387   0.365
  565    HB2  ASP  78          1HB       ASP  78  -7.938  -2.903   2.781
  566    HB3  ASP  78          2HB       ASP  78  -9.699  -2.871   2.951
  567    H    MET  79           H        MET  79  -9.373  -5.000  -0.483
  568    HA   MET  79           HA       MET  79 -10.891  -5.922  -1.785
  569    HB2  MET  79          1HB       MET  79 -13.076  -4.849   0.019
  570    HB3  MET  79          2HB       MET  79 -13.129  -6.244  -1.063
  571    HG2  MET  79          1HG       MET  79 -11.082  -7.093   0.347
  572    HG3  MET  79          2HG       MET  79 -11.627  -5.913   1.536
  573    HE1  MET  79          1HE       MET  79 -13.335  -8.562  -0.911
  574    HE2  MET  79          2HE       MET  79 -11.962  -9.313  -0.075
  575    HE3  MET  79          3HE       MET  79 -13.620  -9.862   0.269
  576    H    ILE  80           H        ILE  80 -10.227  -2.959  -2.204
  577    HA   ILE  80           HA       ILE  80 -12.318  -2.061  -4.049
  578    HB   ILE  80           HB       ILE  80  -9.691  -1.070  -3.041
  579   HG12  ILE  80          1HG1      ILE  80 -12.453   0.079  -3.535
  580   HG13  ILE  80          2HG1      ILE  80 -11.664  -0.277  -1.998
  581   HG21  ILE  80          1HG2      ILE  80  -9.190  -1.001  -5.416
  582   HG22  ILE  80          2HG2      ILE  80 -10.666  -0.029  -5.703
  583   HG23  ILE  80          3HG2      ILE  80  -9.316   0.583  -4.698
  584   HD11  ILE  80          1HD1      ILE  80 -11.654   2.097  -2.261
  585   HD12  ILE  80          2HD1      ILE  80  -9.989   1.586  -2.595
  586   HD13  ILE  80          3HD1      ILE  80 -11.075   2.000  -3.930
  587    H    LYS  81           H        LYS  81 -12.103  -1.965  -6.327
  588    HA   LYS  81           HA       LYS  81 -10.527  -4.233  -7.476
  589    HB2  LYS  81          1HB       LYS  81 -13.198  -3.045  -8.269
  590    HB3  LYS  81          2HB       LYS  81 -12.334  -4.313  -9.161
  591    HG2  LYS  81          1HG       LYS  81 -12.389  -5.726  -7.045
  592    HG3  LYS  81          2HG       LYS  81 -13.427  -4.495  -6.321
  593    HD2  LYS  81          1HD       LYS  81 -14.901  -6.167  -7.088
  594    HD3  LYS  81          2HD       LYS  81 -15.027  -4.862  -8.277
  595    HE2  LYS  81          1HE       LYS  81 -13.363  -6.117  -9.718
  596    HE3  LYS  81          2HE       LYS  81 -13.406  -7.434  -8.540
  597    HZ1  LYS  81          1HZ       LYS  81 -15.791  -7.677  -8.986
  598    HZ2  LYS  81          2HZ       LYS  81 -14.948  -7.844 -10.373
  599    HZ3  LYS  81          3HZ       LYS  81 -15.759  -6.460 -10.076
  600    H    LEU  82           H        LEU  82  -8.741  -2.655  -7.543
  601    HA   LEU  82           HA       LEU  82  -8.663  -0.470  -9.380
  602    HB2  LEU  82          1HB       LEU  82  -7.005  -0.934  -7.577
  603    HB3  LEU  82          2HB       LEU  82  -6.431  -2.342  -8.466
  604    HG   LEU  82           HG       LEU  82  -5.555  -0.928 -10.252
  605   HD11  LEU  82          1HD1      LEU  82  -7.142   0.907 -10.366
  606   HD12  LEU  82          2HD1      LEU  82  -5.573   1.587  -9.957
  607   HD13  LEU  82          3HD1      LEU  82  -6.792   1.378  -8.686
  608   HD21  LEU  82          1HD2      LEU  82  -4.169  -1.307  -8.232
  609   HD22  LEU  82          2HD2      LEU  82  -4.836   0.165  -7.494
  610   HD23  LEU  82          3HD2      LEU  82  -3.834   0.277  -8.953
  611    H    TYR  83           H        TYR  83  -8.551  -0.400 -11.628
  612    HA   TYR  83           HA       TYR  83  -9.234  -1.230 -13.632
  613    HB2  TYR  83          1HB       TYR  83  -6.753  -2.928 -13.279
  614    HB3  TYR  83          2HB       TYR  83  -7.497  -2.482 -14.806
  615    HD1  TYR  83          1HD       TYR  83  -7.950   0.225 -15.008
  616    HD2  TYR  83          2HD       TYR  83  -4.818  -1.723 -12.769
  617    HE1  TYR  83          1HE       TYR  83  -6.544   2.268 -15.200
  618    HE2  TYR  83          2HE       TYR  83  -3.398   0.304 -13.006
  619    HH   TYR  83           HH       TYR  83  -4.528   3.239 -14.731
  620    H    GLY  84           H        GLY  84 -10.686  -2.747 -11.540
  621    HA2  GLY  84          1HA       GLY  84 -12.374  -4.303 -11.721
  622    HA3  GLY  84          2HA       GLY  84 -11.820  -4.733 -13.334
  623    H    LYS  85           H        LYS  85  -9.715  -4.985 -10.503
  624    HA   LYS  85           HA       LYS  85  -9.962  -7.909 -10.288
  625    HB2  LYS  85          1HB       LYS  85  -8.129  -7.423 -11.885
  626    HB3  LYS  85          2HB       LYS  85  -7.357  -6.375 -10.686
  627    HG2  LYS  85          1HG       LYS  85  -7.129  -8.346  -9.151
  628    HG3  LYS  85          2HG       LYS  85  -7.873  -9.373 -10.392
  629    HD2  LYS  85          1HD       LYS  85  -6.015  -8.831 -11.952
  630    HD3  LYS  85          2HD       LYS  85  -5.289  -7.778 -10.715
  631    HE2  LYS  85          1HE       LYS  85  -5.090  -9.721  -9.181
  632    HE3  LYS  85          2HE       LYS  85  -5.796 -10.773 -10.415
  633    HZ1  LYS  85          1HZ       LYS  85  -3.235  -9.280 -10.702
  634    HZ2  LYS  85          2HZ       LYS  85  -3.889 -10.256 -11.848
  635    HZ3  LYS  85          3HZ       LYS  85  -3.369 -10.891 -10.438
  636    HA   PRO  86           HA       PRO  86 -10.233  -6.066  -6.225
  637    HB2  PRO  86          1HB       PRO  86 -10.596  -8.314  -4.669
  638    HB3  PRO  86          2HB       PRO  86 -11.856  -7.549  -5.685
  639    HG2  PRO  86          1HG       PRO  86 -10.099  -9.919  -6.354
  640    HG3  PRO  86          2HG       PRO  86 -11.864  -9.734  -6.608
  641    HD2  PRO  86          1HD       PRO  86 -10.074  -9.338  -8.608
  642    HD3  PRO  86          2HD       PRO  86 -11.521  -8.282  -8.479
  643    H    ILE  87           H        ILE  87  -8.658  -5.193  -5.123
  644    HA   ILE  87           HA       ILE  87  -6.146  -6.668  -4.561
  645    HB   ILE  87           HB       ILE  87  -5.225  -4.487  -3.878
  646   HG12  ILE  87          1HG1      ILE  87  -7.565  -3.134  -5.254
  647   HG13  ILE  87          2HG1      ILE  87  -7.552  -3.374  -3.504
  648   HG21  ILE  87          1HG2      ILE  87  -6.280  -4.679  -6.734
  649   HG22  ILE  87          2HG2      ILE  87  -4.917  -3.676  -6.206
  650   HG23  ILE  87          3HG2      ILE  87  -4.811  -5.435  -6.084
  651   HD11  ILE  87          1HD1      ILE  87  -5.482  -1.796  -5.086
  652   HD12  ILE  87          2HD1      ILE  87  -6.768  -1.141  -4.060
  653   HD13  ILE  87          3HD1      ILE  87  -5.455  -2.081  -3.329
  654    H    ARG  88           H        ARG  88  -5.310  -6.912  -2.538
  655    HA   ARG  88           HA       ARG  88  -7.084  -6.265  -0.210
  656    HB2  ARG  88          1HB       ARG  88  -5.057  -8.522  -0.415
  657    HB3  ARG  88          2HB       ARG  88  -5.979  -8.091   1.020
  658    HG2  ARG  88          1HG       ARG  88  -7.035  -9.270  -1.571
  659    HG3  ARG  88          2HG       ARG  88  -6.997 -10.014   0.024
  660    HD2  ARG  88          1HD       ARG  88  -8.766  -7.727  -0.910
  661    HD3  ARG  88          2HD       ARG  88  -9.271  -9.352  -0.500
  662    HE   ARG  88           HE       ARG  88  -8.550  -7.144   1.356
  663   HH11  ARG  88          1HH1      ARG  88  -9.327 -10.568   1.255
  664   HH12  ARG  88          2HH1      ARG  88  -9.917 -10.551   2.895
  665   HH21  ARG  88          1HH2      ARG  88  -9.422  -7.155   3.319
  666   HH22  ARG  88          2HH2      ARG  88  -9.920  -8.662   4.062
  667    H    VAL  89           H        VAL  89  -6.277  -5.171   1.475
  668    HA   VAL  89           HA       VAL  89  -3.462  -4.197   1.276
  669    HB   VAL  89           HB       VAL  89  -5.860  -2.434   1.867
  670   HG11  VAL  89          1HG1      VAL  89  -2.929  -1.726   1.411
  671   HG12  VAL  89          2HG1      VAL  89  -4.263  -0.578   1.660
  672   HG13  VAL  89          3HG1      VAL  89  -3.779  -1.657   2.965
  673   HG21  VAL  89          1HG2      VAL  89  -5.831  -3.015  -0.527
  674   HG22  VAL  89          2HG2      VAL  89  -5.256  -1.361  -0.324
  675   HG23  VAL  89          3HG2      VAL  89  -4.094  -2.666  -0.605
  676    H    ASN  90           H        ASN  90  -2.354  -3.912   3.118
  677    HA   ASN  90           HA       ASN  90  -3.521  -3.882   5.790
  678    HB2  ASN  90          1HB       ASN  90  -3.564  -6.351   5.016
  679    HB3  ASN  90          2HB       ASN  90  -1.810  -6.262   4.987
  680   HD21  ASN  90          1HD2      ASN  90  -2.380  -8.185   6.521
  681   HD22  ASN  90          2HD2      ASN  90  -2.514  -7.751   8.219
  682    H    LYS  91           H        LYS  91  -1.474  -4.160   7.398
  683    HA   LYS  91           HA       LYS  91   0.527  -2.153   6.879
  684    HB2  LYS  91          1HB       LYS  91   0.708  -4.548   8.753
  685    HB3  LYS  91          2HB       LYS  91   1.618  -3.051   8.880
  686    HG2  LYS  91          1HG       LYS  91  -1.406  -3.283   9.218
  687    HG3  LYS  91          2HG       LYS  91  -0.256  -3.381  10.528
  688    HD2  LYS  91          1HD       LYS  91  -0.404  -0.975   8.663
  689    HD3  LYS  91          2HD       LYS  91  -1.417  -1.109  10.087
  690    HE2  LYS  91          1HE       LYS  91   1.641  -1.146  10.077
  691    HE3  LYS  91          2HE       LYS  91   0.651   0.281  10.371
  692    HZ1  LYS  91          1HZ       LYS  91   0.757  -2.125  12.096
  693    HZ2  LYS  91          2HZ       LYS  91  -0.279  -0.865  12.333
  694    HZ3  LYS  91          3HZ       LYS  91   1.344  -0.642  12.433
  695    H    ALA  92           H        ALA  92   2.720  -2.329   6.229
  696    HA   ALA  92           HA       ALA  92   3.532  -4.768   4.797
  697    HB1  ALA  92          1HB       ALA  92   5.110  -2.256   5.438
  698    HB2  ALA  92          2HB       ALA  92   5.544  -3.517   4.269
  699    HB3  ALA  92          3HB       ALA  92   4.114  -2.503   3.984
  700    H    SER  93           H        SER  93   3.987  -3.414   8.026
  701    HA   SER  93           HA       SER  93   6.045  -5.223   8.919
  702    HB2  SER  93          1HB       SER  93   5.296  -4.469  11.187
  703    HB3  SER  93          2HB       SER  93   5.714  -3.153  10.079
  704    HG   SER  93           HG       SER  93   3.739  -2.772  11.224
  705    H    ALA  94           H        ALA  94   2.698  -5.125  10.009
  706    HA   ALA  94           HA       ALA  94   1.103  -6.561  10.572
  707    HB1  ALA  94          1HB       ALA  94   2.160  -8.110   8.193
  708    HB2  ALA  94          2HB       ALA  94   0.540  -8.265   8.912
  709    HB3  ALA  94          3HB       ALA  94   1.024  -6.738   8.166
  710    H    HIS  95           H        HIS  95   4.210  -8.171  10.783
  711    HA   HIS  95           HA       HIS  95   3.197 -10.503  12.203
  712    HB2  HIS  95          1HB       HIS  95   5.985  -9.381  11.801
  713    HB3  HIS  95          2HB       HIS  95   5.646 -10.874  12.674
  714    HD2  HIS  95          2HD       HIS  95   6.028  -9.548   9.159
  715    HE1  HIS  95          1HE       HIS  95   4.690 -13.574   8.716
  716    HE2  HIS  95          2HE       HIS  95   5.634 -11.551   7.488
  717    H    ASN  96           H        ASN  96   3.390  -7.350  13.221
  718    HA   ASN  96           HA       ASN  96   3.214  -8.149  16.076
  719    HB2  ASN  96          1HB       ASN  96   5.469  -7.179  15.694
  720    HB3  ASN  96          2HB       ASN  96   4.731  -5.747  14.968
  721   HD21  ASN  96          1HD2      ASN  96   5.801  -4.424  16.586
  722   HD22  ASN  96          2HD2      ASN  96   5.029  -4.310  18.170
  723    H    LYS  97           H        LYS  97   1.733  -6.939  17.281
  724    HA   LYS  97           HA       LYS  97  -0.547  -5.861  15.801
  725    HB2  LYS  97          1HB       LYS  97  -0.752  -7.332  17.787
  726    HB3  LYS  97          2HB       LYS  97  -0.016  -6.081  18.796
  727    HG2  LYS  97          1HG       LYS  97  -1.913  -4.555  18.289
  728    HG3  LYS  97          2HG       LYS  97  -2.629  -5.798  17.242
  729    HD2  LYS  97          1HD       LYS  97  -2.823  -7.323  19.192
  730    HD3  LYS  97          2HD       LYS  97  -2.091  -6.082  20.235
  731    HE2  LYS  97          1HE       LYS  97  -3.957  -4.533  19.697
  732    HE3  LYS  97          2HE       LYS  97  -4.685  -5.765  18.656
  733    HZ1  LYS  97          1HZ       LYS  97  -4.928  -7.187  20.624
  734    HZ2  LYS  97          2HZ       LYS  97  -5.692  -5.767  20.867
  735    HZ3  LYS  97          3HZ       LYS  97  -4.255  -6.049  21.585
  736    H    ASN  98           H        ASN  98   1.794  -4.464  18.119
  737    HA   ASN  98           HA       ASN  98   1.601  -1.825  16.887
  738    HB2  ASN  98          1HB       ASN  98   0.790  -0.641  18.855
  739    HB3  ASN  98          2HB       ASN  98  -0.404  -1.838  18.385
  740   HD21  ASN  98          1HD2      ASN  98   1.983  -0.932  20.870
  741   HD22  ASN  98          2HD2      ASN  98   1.442  -2.132  22.024
  742    H    LEU  99           H        LEU  99   3.128  -0.295  17.740
  743    HA   LEU  99           HA       LEU  99   5.535  -1.460  19.022
  744    HB2  LEU  99          1HB       LEU  99   4.889   1.220  17.739
  745    HB3  LEU  99          2HB       LEU  99   6.302   0.993  18.757
  746    HG   LEU  99           HG       LEU  99   7.139  -0.801  17.270
  747   HD11  LEU  99          1HD1      LEU  99   5.128  -1.613  16.152
  748   HD12  LEU  99          2HD1      LEU  99   6.229  -0.955  14.946
  749   HD13  LEU  99          3HD1      LEU  99   4.819  -0.002  15.459
  750   HD21  LEU  99          1HD2      LEU  99   7.870   1.545  17.029
  751   HD22  LEU  99          2HD2      LEU  99   6.544   1.844  15.881
  752   HD23  LEU  99          3HD2      LEU  99   7.851   0.710  15.469
  753    H    SER 100           H        SER 100   6.433  -0.513  20.955
  754    HA   SER 100           HA       SER 100   4.519   0.850  22.797
  755    HB2  SER 100          1HB       SER 100   6.052  -1.702  23.422
  756    HB3  SER 100          2HB       SER 100   5.165  -0.722  24.602
  757    HG   SER 100           HG       SER 100   3.931  -2.496  23.810
  758    H    GLY 101           H        GLY 101   5.425   2.139  24.346
  759    HA2  GLY 101          1HA       GLY 101   8.215   2.991  24.039
  760    HA3  GLY 101          2HA       GLY 101   7.003   3.674  25.117
  761    HA   PRO 102           HA       PRO 102  10.035   0.993  27.586
  762    HB2  PRO 102          1HB       PRO 102  11.407   2.932  28.931
  763    HB3  PRO 102          2HB       PRO 102  11.860   2.390  27.285
  764    HG2  PRO 102          1HG       PRO 102  10.172   4.799  28.048
  765    HG3  PRO 102          2HG       PRO 102  11.584   4.747  26.943
  766    HD2  PRO 102          1HD       PRO 102   9.027   4.631  26.015
  767    HD3  PRO 102          2HD       PRO 102  10.334   3.679  25.246
  768    H    SER 103           H        SER 103  10.000   0.703  29.905
  769    HA   SER 103           HA       SER 103   8.110   2.275  31.538
  770    HB2  SER 103          1HB       SER 103   6.702   0.562  30.420
  771    HB3  SER 103          2HB       SER 103   7.738  -0.714  31.089
  772    HG   SER 103           HG       SER 103   5.796  -0.229  32.328
  773    H    SER 104           H        SER 104   8.245   1.826  33.779
  774    HA   SER 104           HA       SER 104  10.872   0.931  34.768
  775    HB2  SER 104          1HB       SER 104   9.595   2.946  35.611
  776    HB3  SER 104          2HB       SER 104   8.430   1.826  36.341
  777    HG   SER 104           HG       SER 104  10.093   2.500  37.801
  778    H    GLY 105           H        GLY 105   7.749  -0.483  34.262
  779    HA2  GLY 105          1HA       GLY 105   7.737  -2.536  36.304
  780    HA3  GLY 105          2HA       GLY 105   6.739  -2.479  34.853
  Start of MODEL   19
    1    H1   GLY   1          1H        GLY   1  -7.190 -17.727   4.077
    2    H2   GLY   1          2H        GLY   1  -7.822 -16.879   5.331
    3    H3   GLY   1          3H        GLY   1  -7.347 -18.431   5.549
    4    HA2  GLY   1          1HA       GLY   1  -5.046 -17.855   5.164
    5    HA3  GLY   1          2HA       GLY   1  -5.555 -16.177   4.903
    6    H    SER   2           H        SER   2  -3.728 -17.385   6.934
    7    HA   SER   2           HA       SER   2  -4.966 -17.342   9.522
    8    HB2  SER   2          1HB       SER   2  -2.050 -16.944   8.763
    9    HB3  SER   2          2HB       SER   2  -2.671 -17.356  10.374
   10    HG   SER   2           HG       SER   2  -1.960 -19.213   9.213
   11    H    SER   3           H        SER   3  -4.631 -15.857  11.260
   12    HA   SER   3           HA       SER   3  -4.885 -13.034  10.570
   13    HB2  SER   3          1HB       SER   3  -4.578 -14.417  13.263
   14    HB3  SER   3          2HB       SER   3  -4.892 -12.689  13.027
   15    HG   SER   3           HG       SER   3  -6.570 -14.832  12.161
   16    H    GLY   4           H        GLY   4  -3.499 -11.320  11.177
   17    HA2  GLY   4          1HA       GLY   4  -0.768 -11.873  12.098
   18    HA3  GLY   4          2HA       GLY   4  -0.894 -11.274  10.446
   19    H    SER   5           H        SER   5   0.450 -10.021  12.566
   20    HA   SER   5           HA       SER   5  -0.935  -7.404  12.875
   21    HB2  SER   5          1HB       SER   5  -0.355  -7.371  15.269
   22    HB3  SER   5          2HB       SER   5  -1.454  -8.703  14.891
   23    HG   SER   5           HG       SER   5   0.430 -10.068  14.773
   24    H    SER   6           H        SER   6   0.559  -5.672  13.627
   25    HA   SER   6           HA       SER   6   2.947  -5.627  12.075
   26    HB2  SER   6          1HB       SER   6   1.849  -3.771  14.188
   27    HB3  SER   6          2HB       SER   6   3.407  -3.488  13.385
   28    HG   SER   6           HG       SER   6   2.417  -3.486  11.413
   29    H    GLY   7           H        GLY   7   4.593  -6.917  12.475
   30    HA2  GLY   7          1HA       GLY   7   5.779  -7.337  15.152
   31    HA3  GLY   7          2HA       GLY   7   6.350  -7.969  13.606
   32    HA   PRO   8           HA       PRO   8   9.097  -4.334  14.823
   33    HB2  PRO   8          1HB       PRO   8  11.481  -5.675  14.939
   34    HB3  PRO   8          2HB       PRO   8  10.364  -5.543  16.334
   35    HG2  PRO   8          1HG       PRO   8  10.611  -7.838  14.358
   36    HG3  PRO   8          2HG       PRO   8  10.585  -7.919  16.150
   37    HD2  PRO   8          1HD       PRO   8   8.350  -8.351  14.663
   38    HD3  PRO   8          2HD       PRO   8   8.261  -7.484  16.226
   39    H    ILE   9           H        ILE   9  10.474  -3.272  13.358
   40    HA   ILE   9           HA       ILE   9  10.182  -4.006  10.556
   41    HB   ILE   9           HB       ILE   9  11.196  -2.029   9.992
   42   HG12  ILE   9          1HG1      ILE   9  11.902  -1.494  12.910
   43   HG13  ILE   9          2HG1      ILE   9  13.051  -1.972  11.648
   44   HG21  ILE   9          1HG2      ILE   9   9.559  -0.505  10.849
   45   HG22  ILE   9          2HG2      ILE   9   8.805  -2.100  10.922
   46   HG23  ILE   9          3HG2      ILE   9   9.446  -1.365  12.396
   47   HD11  ILE   9          1HD1      ILE   9  11.407   0.574  11.656
   48   HD12  ILE   9          2HD1      ILE   9  13.160   0.417  11.903
   49   HD13  ILE   9          3HD1      ILE   9  12.447   0.014  10.323
   50    H    SER  10           H        SER  10  11.784  -4.436   9.014
   51    HA   SER  10           HA       SER  10  14.345  -5.562  10.102
   52    HB2  SER  10          1HB       SER  10  14.371  -7.005   8.133
   53    HB3  SER  10          2HB       SER  10  12.939  -7.261   9.143
   54    HG   SER  10           HG       SER  10  12.451  -7.153   6.886
   55    H    GLU  11           H        GLU  11  13.021  -3.533   7.495
   56    HA   GLU  11           HA       GLU  11  15.793  -2.479   6.960
   57    HB2  GLU  11          1HB       GLU  11  13.826  -3.556   4.896
   58    HB3  GLU  11          2HB       GLU  11  15.282  -2.635   4.515
   59    HG2  GLU  11          1HG       GLU  11  16.654  -4.391   5.685
   60    HG3  GLU  11          2HG       GLU  11  15.191  -5.368   5.843
   61    H    ARG  12           H        ARG  12  12.382  -1.707   7.121
   62    HA   ARG  12           HA       ARG  12  12.899   1.122   6.449
   63    HB2  ARG  12          1HB       ARG  12  12.398  -0.266   4.313
   64    HB3  ARG  12          2HB       ARG  12  10.789  -0.527   4.964
   65    HG2  ARG  12          1HG       ARG  12  10.791   1.223   3.284
   66    HG3  ARG  12          2HG       ARG  12  10.352   1.920   4.834
   67    HD2  ARG  12          1HD       ARG  12  12.722   2.751   5.086
   68    HD3  ARG  12          2HD       ARG  12  13.094   2.043   3.500
   69    HE   ARG  12           HE       ARG  12  10.814   3.916   3.547
   70   HH11  ARG  12          1HH1      ARG  12  14.319   3.891   3.218
   71   HH12  ARG  12          2HH1      ARG  12  14.304   5.373   2.302
   72   HH21  ARG  12          1HH2      ARG  12  10.851   5.577   2.306
   73   HH22  ARG  12          2HH2      ARG  12  12.351   6.375   1.817
   74    H    ASN  13           H        ASN  13  10.768   2.429   6.756
   75    HA   ASN  13           HA       ASN  13   9.514   1.711   9.279
   76    HB2  ASN  13          1HB       ASN  13   9.329   4.046   7.367
   77    HB3  ASN  13          2HB       ASN  13   8.074   3.813   8.580
   78   HD21  ASN  13          1HD2      ASN  13   8.771   3.442  10.846
   79   HD22  ASN  13          2HD2      ASN  13  10.145   4.415  11.404
   80    H    GLN  14           H        GLN  14   8.889  -0.415   8.444
   81    HA   GLN  14           HA       GLN  14   6.582  -0.802   6.784
   82    HB2  GLN  14          1HB       GLN  14   7.912  -2.502   8.918
   83    HB3  GLN  14          2HB       GLN  14   6.645  -3.081   7.848
   84    HG2  GLN  14          1HG       GLN  14   8.005  -2.938   5.915
   85    HG3  GLN  14          2HG       GLN  14   9.207  -1.919   6.705
   86   HE21  GLN  14          1HE2      GLN  14   7.819  -5.250   6.799
   87   HE22  GLN  14          2HE2      GLN  14   9.311  -5.961   7.421
   88    H    ASP  15           H        ASP  15   6.764   0.596   9.836
   89    HA   ASP  15           HA       ASP  15   4.095  -0.075  10.818
   90    HB2  ASP  15          1HB       ASP  15   4.645   1.551  12.541
   91    HB3  ASP  15          2HB       ASP  15   5.954   0.392  12.345
   92    H    ALA  16           H        ALA  16   5.552   2.326   8.691
   93    HA   ALA  16           HA       ALA  16   2.919   3.706   8.384
   94    HB1  ALA  16          1HB       ALA  16   4.710   5.125   9.365
   95    HB2  ALA  16          2HB       ALA  16   5.704   4.837   7.917
   96    HB3  ALA  16          3HB       ALA  16   4.158   5.703   7.785
   97    H    THR  17           H        THR  17   4.890   1.485   6.876
   98    HA   THR  17           HA       THR  17   4.009   2.243   4.138
   99    HB   THR  17           HB       THR  17   5.861  -0.020   4.914
  100    HG1  THR  17          1HG       THR  17   6.775   1.963   5.425
  101   HG21  THR  17          1HG2      THR  17   4.859  -0.293   2.666
  102   HG22  THR  17          2HG2      THR  17   6.584   0.087   2.552
  103   HG23  THR  17          3HG2      THR  17   5.389   1.348   2.228
  104    H    VAL  18           H        VAL  18   2.427   1.208   3.109
  105    HA   VAL  18           HA       VAL  18   1.124  -1.131   4.436
  106    HB   VAL  18           HB       VAL  18  -0.866  -0.689   3.235
  107   HG11  VAL  18          1HG1      VAL  18  -1.525   1.466   4.151
  108   HG12  VAL  18          2HG1      VAL  18  -0.456   0.643   5.304
  109   HG13  VAL  18          3HG1      VAL  18   0.160   1.975   4.304
  110   HG21  VAL  18          1HG2      VAL  18  -1.206   1.237   1.760
  111   HG22  VAL  18          2HG2      VAL  18   0.513   1.645   1.881
  112   HG23  VAL  18          3HG2      VAL  18  -0.001   0.145   1.074
  113    H    TYR  19           H        TYR  19   0.628  -2.942   3.264
  114    HA   TYR  19           HA       TYR  19   2.183  -3.528   0.784
  115    HB2  TYR  19          1HB       TYR  19   2.628  -5.137   2.488
  116    HB3  TYR  19          2HB       TYR  19   0.951  -5.195   2.998
  117    HD1  TYR  19          1HD       TYR  19  -0.723  -6.521   1.839
  118    HD2  TYR  19          2HD       TYR  19   3.352  -6.371   0.424
  119    HE1  TYR  19          1HE       TYR  19  -1.148  -8.502   0.387
  120    HE2  TYR  19          2HE       TYR  19   2.934  -8.376  -0.985
  121    HH   TYR  19           HH       TYR  19   1.415  -9.953  -1.655
  122    H    VAL  20           H        VAL  20   1.109  -4.067  -1.059
  123    HA   VAL  20           HA       VAL  20  -1.877  -4.194  -1.086
  124    HB   VAL  20           HB       VAL  20  -0.195  -2.769  -3.189
  125   HG11  VAL  20          1HG1      VAL  20  -3.207  -2.960  -2.735
  126   HG12  VAL  20          2HG1      VAL  20  -2.408  -2.018  -4.007
  127   HG13  VAL  20          3HG1      VAL  20  -2.306  -3.786  -4.012
  128   HG21  VAL  20          1HG2      VAL  20  -0.155  -1.386  -1.172
  129   HG22  VAL  20          2HG2      VAL  20  -1.205  -0.674  -2.393
  130   HG23  VAL  20          3HG2      VAL  20  -1.917  -1.533  -1.007
  131    H    GLY  21           H        GLY  21  -2.277  -6.270  -1.615
  132    HA2  GLY  21          1HA       GLY  21  -0.545  -7.683  -3.620
  133    HA3  GLY  21          2HA       GLY  21  -1.532  -8.458  -2.393
  134    H    GLY  22           H        GLY  22  -1.410  -8.557  -5.445
  135    HA2  GLY  22          1HA       GLY  22  -3.141  -9.612  -6.712
  136    HA3  GLY  22          2HA       GLY  22  -4.377  -8.739  -5.805
  137    H    LEU  23           H        LEU  23  -1.466  -7.384  -7.373
  138    HA   LEU  23           HA       LEU  23  -3.003  -5.195  -8.528
  139    HB2  LEU  23          1HB       LEU  23  -0.061  -5.973  -8.717
  140    HB3  LEU  23          2HB       LEU  23  -0.748  -4.467  -9.319
  141    HG   LEU  23           HG       LEU  23  -0.595  -5.339  -6.399
  142   HD11  LEU  23          1HD1      LEU  23   1.542  -4.660  -7.429
  143   HD12  LEU  23          2HD1      LEU  23   0.990  -3.495  -6.206
  144   HD13  LEU  23          3HD1      LEU  23   0.815  -3.121  -7.932
  145   HD21  LEU  23          1HD2      LEU  23  -1.294  -2.901  -6.019
  146   HD22  LEU  23          2HD2      LEU  23  -2.560  -4.021  -6.540
  147   HD23  LEU  23          3HD2      LEU  23  -1.844  -2.893  -7.703
  148    H    ASP  24           H        ASP  24  -3.067  -4.644 -10.728
  149    HA   ASP  24           HA       ASP  24  -3.065  -6.951 -12.569
  150    HB2  ASP  24          1HB       ASP  24  -5.102  -5.569 -12.411
  151    HB3  ASP  24          2HB       ASP  24  -4.180  -4.132 -12.855
  152    H    GLU  25           H        GLU  25  -2.117  -6.701 -14.777
  153    HA   GLU  25           HA       GLU  25   0.594  -5.860 -14.712
  154    HB2  GLU  25          1HB       GLU  25   0.662  -6.433 -17.043
  155    HB3  GLU  25          2HB       GLU  25  -0.273  -7.635 -16.159
  156    HG2  GLU  25          1HG       GLU  25  -2.386  -6.562 -16.969
  157    HG3  GLU  25          2HG       GLU  25  -1.430  -5.385 -17.870
  158    H    LYS  26           H        LYS  26  -2.251  -3.937 -15.460
  159    HA   LYS  26           HA       LYS  26  -0.836  -1.769 -16.795
  160    HB2  LYS  26          1HB       LYS  26  -3.573  -2.036 -15.552
  161    HB3  LYS  26          2HB       LYS  26  -2.984  -0.545 -16.305
  162    HG2  LYS  26          1HG       LYS  26  -2.633  -1.657 -18.440
  163    HG3  LYS  26          2HG       LYS  26  -3.018  -3.235 -17.745
  164    HD2  LYS  26          1HD       LYS  26  -4.883  -2.401 -19.021
  165    HD3  LYS  26          2HD       LYS  26  -5.305  -2.549 -17.303
  166    HE2  LYS  26          1HE       LYS  26  -5.051  -0.136 -16.985
  167    HE3  LYS  26          2HE       LYS  26  -4.471   0.060 -18.646
  168    HZ1  LYS  26          1HZ       LYS  26  -7.197  -0.873 -17.908
  169    HZ2  LYS  26          2HZ       LYS  26  -6.653  -0.665 -19.434
  170    HZ3  LYS  26          3HZ       LYS  26  -6.831   0.624 -18.453
  171    H    VAL  27           H        VAL  27  -0.961  -2.680 -13.473
  172    HA   VAL  27           HA       VAL  27  -0.895  -0.011 -12.319
  173    HB   VAL  27           HB       VAL  27  -0.215  -2.704 -11.081
  174   HG11  VAL  27          1HG1      VAL  27  -0.706  -0.008  -9.750
  175   HG12  VAL  27          2HG1      VAL  27  -0.605  -1.567  -8.928
  176   HG13  VAL  27          3HG1      VAL  27   0.808  -0.930  -9.743
  177   HG21  VAL  27          1HG2      VAL  27  -2.476  -2.481 -10.044
  178   HG22  VAL  27          2HG2      VAL  27  -2.754  -1.006 -10.987
  179   HG23  VAL  27          3HG2      VAL  27  -2.574  -2.571 -11.804
  180    H    SER  28           H        SER  28   0.781   1.208 -11.602
  181    HA   SER  28           HA       SER  28   3.568   0.192 -11.759
  182    HB2  SER  28          1HB       SER  28   4.321   2.221 -12.840
  183    HB3  SER  28          2HB       SER  28   3.068   1.469 -13.838
  184    HG   SER  28           HG       SER  28   2.664   3.687 -13.651
  185    H    GLU  29           H        GLU  29   5.107   1.545 -10.471
  186    HA   GLU  29           HA       GLU  29   4.097   2.125  -7.886
  187    HB2  GLU  29          1HB       GLU  29   6.697   2.680  -9.336
  188    HB3  GLU  29          2HB       GLU  29   6.434   3.431  -7.776
  189    HG2  GLU  29          1HG       GLU  29   6.662   1.503  -6.618
  190    HG3  GLU  29          2HG       GLU  29   5.768   0.562  -7.789
  191    HA   PRO  30           HA       PRO  30   4.036   6.849  -9.047
  192    HB2  PRO  30          1HB       PRO  30   3.429   6.538 -11.992
  193    HB3  PRO  30          2HB       PRO  30   4.230   7.898 -11.141
  194    HG2  PRO  30          1HG       PRO  30   5.727   6.099 -12.485
  195    HG3  PRO  30          2HG       PRO  30   6.238   6.614 -10.842
  196    HD2  PRO  30          1HD       PRO  30   4.730   4.113 -11.643
  197    HD3  PRO  30          2HD       PRO  30   6.145   4.287 -10.567
  198    H    LEU  31           H        LEU  31   1.989   4.337 -10.605
  199    HA   LEU  31           HA       LEU  31  -0.464   5.892 -10.444
  200    HB2  LEU  31          1HB       LEU  31  -0.241   3.908 -11.953
  201    HB3  LEU  31          2HB       LEU  31  -0.066   2.877 -10.539
  202    HG   LEU  31           HG       LEU  31  -2.397   3.716  -9.762
  203   HD11  LEU  31          1HD1      LEU  31  -2.548   5.671 -11.262
  204   HD12  LEU  31          2HD1      LEU  31  -3.851   4.514 -11.580
  205   HD13  LEU  31          3HD1      LEU  31  -2.452   4.592 -12.678
  206   HD21  LEU  31          1HD2      LEU  31  -2.034   1.496 -10.614
  207   HD22  LEU  31          2HD2      LEU  31  -2.023   2.092 -12.297
  208   HD23  LEU  31          3HD2      LEU  31  -3.514   2.143 -11.333
  209    H    LEU  32           H        LEU  32   0.970   3.259  -8.439
  210    HA   LEU  32           HA       LEU  32  -1.003   3.276  -6.407
  211    HB2  LEU  32          1HB       LEU  32   1.991   2.760  -6.064
  212    HB3  LEU  32          2HB       LEU  32   0.719   2.345  -4.917
  213    HG   LEU  32           HG       LEU  32   1.209   1.129  -7.639
  214   HD11  LEU  32          1HD1      LEU  32   2.575   0.304  -5.731
  215   HD12  LEU  32          2HD1      LEU  32   1.452  -0.931  -6.336
  216   HD13  LEU  32          3HD1      LEU  32   1.075  -0.057  -4.833
  217   HD21  LEU  32          1HD2      LEU  32  -0.736  -0.396  -6.996
  218   HD22  LEU  32          2HD2      LEU  32  -1.192   1.254  -7.457
  219   HD23  LEU  32          3HD2      LEU  32  -1.146   0.780  -5.736
  220    H    TRP  33           H        TRP  33   1.932   5.291  -6.652
  221    HA   TRP  33           HA       TRP  33   1.693   6.621  -4.175
  222    HB2  TRP  33          1HB       TRP  33   3.584   6.642  -5.880
  223    HB3  TRP  33          2HB       TRP  33   2.690   7.831  -6.793
  224    HD1  TRP  33           HD       TRP  33   1.867   9.735  -4.265
  225    HE1  TRP  33          1HE       TRP  33   3.699  11.120  -3.109
  226    HE3  TRP  33          3HE       TRP  33   5.929   7.118  -5.849
  227    HZ2  TRP  33          2HZ       TRP  33   6.591  11.132  -2.965
  228    HZ3  TRP  33          3HZ       TRP  33   8.242   7.838  -5.213
  229    HH2  TRP  33           HH       TRP  33   8.572   9.842  -3.774
  230    H    GLU  34           H        GLU  34   0.632   7.925  -7.347
  231    HA   GLU  34           HA       GLU  34  -0.822  10.110  -6.218
  232    HB2  GLU  34          1HB       GLU  34  -1.023   8.760  -8.946
  233    HB3  GLU  34          2HB       GLU  34  -1.843  10.270  -8.512
  234    HG2  GLU  34          1HG       GLU  34   0.412  11.208  -7.858
  235    HG3  GLU  34          2HG       GLU  34   1.166   9.799  -8.594
  236    H    LEU  35           H        LEU  35  -1.915   6.833  -6.925
  237    HA   LEU  35           HA       LEU  35  -4.734   7.366  -6.583
  238    HB2  LEU  35          1HB       LEU  35  -3.539   5.349  -7.737
  239    HB3  LEU  35          2HB       LEU  35  -3.356   4.715  -6.094
  240    HG   LEU  35           HG       LEU  35  -5.932   5.046  -5.960
  241   HD11  LEU  35          1HD1      LEU  35  -5.587   4.982  -8.975
  242   HD12  LEU  35          2HD1      LEU  35  -6.208   6.354  -8.027
  243   HD13  LEU  35          3HD1      LEU  35  -7.122   4.839  -8.090
  244   HD21  LEU  35          1HD2      LEU  35  -4.832   2.864  -5.966
  245   HD22  LEU  35          2HD2      LEU  35  -4.734   2.907  -7.744
  246   HD23  LEU  35          3HD2      LEU  35  -6.315   2.827  -6.923
  247    H    PHE  36           H        PHE  36  -2.133   6.462  -4.301
  248    HA   PHE  36           HA       PHE  36  -4.033   6.064  -2.081
  249    HB2  PHE  36          1HB       PHE  36  -1.098   5.582  -2.511
  250    HB3  PHE  36          2HB       PHE  36  -1.717   5.684  -0.911
  251    HD1  PHE  36          1HD       PHE  36  -2.312   3.693   0.158
  252    HD2  PHE  36          2HD       PHE  36  -2.631   3.902  -4.128
  253    HE1  PHE  36          1HE       PHE  36  -3.046   1.326   0.093
  254    HE2  PHE  36          2HE       PHE  36  -3.297   1.519  -4.199
  255    HZ   PHE  36           HZ       PHE  36  -3.553   0.238  -2.083
  256    H    LEU  37           H        LEU  37  -2.301   8.755  -3.330
  257    HA   LEU  37           HA       LEU  37  -1.998  10.398  -1.060
  258    HB2  LEU  37          1HB       LEU  37  -2.876  10.952  -3.910
  259    HB3  LEU  37          2HB       LEU  37  -2.719  12.253  -2.734
  260    HG   LEU  37           HG       LEU  37  -0.456  10.480  -3.687
  261   HD11  LEU  37          1HD1      LEU  37  -0.996  13.442  -4.089
  262   HD12  LEU  37          2HD1      LEU  37  -1.273  12.187  -5.311
  263   HD13  LEU  37          3HD1      LEU  37   0.373  12.510  -4.736
  264   HD21  LEU  37          1HD2      LEU  37  -0.469  12.785  -1.710
  265   HD22  LEU  37          2HD2      LEU  37   0.994  12.056  -2.427
  266   HD23  LEU  37          3HD2      LEU  37  -0.051  11.092  -1.377
  267    H    GLN  38           H        GLN  38  -4.949   9.229  -2.396
  268    HA   GLN  38           HA       GLN  38  -6.835  11.089  -1.289
  269    HB2  GLN  38          1HB       GLN  38  -7.196   8.096  -1.764
  270    HB3  GLN  38          2HB       GLN  38  -8.477   9.309  -1.608
  271    HG2  GLN  38          1HG       GLN  38  -7.588  10.448  -3.670
  272    HG3  GLN  38          2HG       GLN  38  -6.389   9.144  -3.793
  273   HE21  GLN  38          1HE2      GLN  38  -7.048   7.068  -4.499
  274   HE22  GLN  38          2HE2      GLN  38  -8.662   6.791  -5.177
  275    H    ALA  39           H        ALA  39  -5.111   8.326   0.132
  276    HA   ALA  39           HA       ALA  39  -6.712   8.312   2.575
  277    HB1  ALA  39          1HB       ALA  39  -5.623   6.268   1.665
  278    HB2  ALA  39          2HB       ALA  39  -4.038   7.006   1.933
  279    HB3  ALA  39          3HB       ALA  39  -5.078   6.647   3.318
  280    H    GLY  40           H        GLY  40  -3.445   9.451   1.655
  281    HA2  GLY  40          1HA       GLY  40  -3.392  11.711   3.380
  282    HA3  GLY  40          2HA       GLY  40  -2.592  10.360   4.191
  283    HA   PRO  41           HA       PRO  41   0.420  12.629   1.386
  284    HB2  PRO  41          1HB       PRO  41   2.388  13.123   3.238
  285    HB3  PRO  41          2HB       PRO  41   0.970  14.182   2.977
  286    HG2  PRO  41          1HG       PRO  41   1.295  12.007   5.067
  287    HG3  PRO  41          2HG       PRO  41   0.760  13.698   5.313
  288    HD2  PRO  41          1HD       PRO  41  -0.994  11.637   5.073
  289    HD3  PRO  41          2HD       PRO  41  -1.371  13.213   4.318
  290    H    VAL  42           H        VAL  42   1.115  11.046   0.125
  291    HA   VAL  42           HA       VAL  42   2.604   8.702   1.116
  292    HB   VAL  42           HB       VAL  42   1.886   9.522  -1.715
  293   HG11  VAL  42          1HG1      VAL  42   3.158   6.976  -0.610
  294   HG12  VAL  42          2HG1      VAL  42   2.516   7.155  -2.254
  295   HG13  VAL  42          3HG1      VAL  42   3.896   8.118  -1.752
  296   HG21  VAL  42          1HG2      VAL  42   0.705   7.369   0.086
  297   HG22  VAL  42          2HG2      VAL  42  -0.104   8.877  -0.388
  298   HG23  VAL  42          3HG2      VAL  42   0.276   7.666  -1.612
  299    H    VAL  43           H        VAL  43   4.686   8.479   1.105
  300    HA   VAL  43           HA       VAL  43   6.439  10.781   0.388
  301    HB   VAL  43           HB       VAL  43   7.077   8.449   2.229
  302   HG11  VAL  43          1HG1      VAL  43   8.592  10.085   3.304
  303   HG12  VAL  43          2HG1      VAL  43   9.001   9.857   1.596
  304   HG13  VAL  43          3HG1      VAL  43   8.115  11.313   2.117
  305   HG21  VAL  43          1HG2      VAL  43   6.430   9.876   4.135
  306   HG22  VAL  43          2HG2      VAL  43   5.741  11.073   3.009
  307   HG23  VAL  43          3HG2      VAL  43   5.049   9.438   3.136
  308    H    ASN  44           H        ASN  44   6.035   7.307  -0.101
  309    HA   ASN  44           HA       ASN  44   7.922   7.169  -2.328
  310    HB2  ASN  44          1HB       ASN  44   9.513   7.130  -0.515
  311    HB3  ASN  44          2HB       ASN  44   8.512   6.058   0.434
  312   HD21  ASN  44          1HD2      ASN  44   9.585   4.202   0.686
  313   HD22  ASN  44          2HD2      ASN  44  10.393   3.323  -0.626
  314    H    THR  45           H        THR  45   7.996   4.929  -3.235
  315    HA   THR  45           HA       THR  45   5.818   3.059  -2.497
  316    HB   THR  45           HB       THR  45   5.388   2.773  -5.035
  317    HG1  THR  45          1HG       THR  45   7.069   4.242  -5.661
  318   HG21  THR  45          1HG2      THR  45   4.312   5.312  -3.787
  319   HG22  THR  45          2HG2      THR  45   3.727   3.666  -3.435
  320   HG23  THR  45          3HG2      THR  45   3.590   4.303  -5.073
  321    H    HIS  46           H        HIS  46   6.114   0.905  -3.296
  322    HA   HIS  46           HA       HIS  46   8.636   0.300  -4.747
  323    HB2  HIS  46          1HB       HIS  46   9.076   0.163  -2.231
  324    HB3  HIS  46          2HB       HIS  46   7.854  -1.079  -2.153
  325    HD2  HIS  46          2HD       HIS  46   9.660  -2.852  -1.280
  326    HE1  HIS  46          1HE       HIS  46  11.803  -3.262  -4.946
  327    HE2  HIS  46          2HE       HIS  46  11.473  -4.227  -2.612
  328    H    MET  47           H        MET  47   8.318  -1.284  -6.255
  329    HA   MET  47           HA       MET  47   6.232  -3.370  -5.772
  330    HB2  MET  47          1HB       MET  47   6.473  -1.714  -8.294
  331    HB3  MET  47          2HB       MET  47   5.759  -3.325  -8.268
  332    HG2  MET  47          1HG       MET  47   4.056  -2.678  -6.734
  333    HG3  MET  47          2HG       MET  47   4.797  -1.105  -6.441
  334    HE1  MET  47          1HE       MET  47   2.564  -2.336 -10.281
  335    HE2  MET  47          2HE       MET  47   4.272  -2.764 -10.063
  336    HE3  MET  47          3HE       MET  47   3.046  -3.415  -8.945
  337    HA   PRO  48           HA       PRO  48  10.238  -5.366  -6.473
  338    HB2  PRO  48          1HB       PRO  48   8.465  -7.723  -5.774
  339    HB3  PRO  48          2HB       PRO  48  10.176  -7.426  -5.316
  340    HG2  PRO  48          1HG       PRO  48   8.243  -6.848  -3.544
  341    HG3  PRO  48          2HG       PRO  48   9.530  -5.643  -3.831
  342    HD2  PRO  48          1HD       PRO  48   6.728  -5.701  -4.993
  343    HD3  PRO  48          2HD       PRO  48   7.621  -4.322  -4.273
  344    H    LYS  49           H        LYS  49  11.097  -6.047  -8.311
  345    HA   LYS  49           HA       LYS  49   9.335  -6.846 -10.562
  346    HB2  LYS  49          1HB       LYS  49  12.238  -5.965 -10.656
  347    HB3  LYS  49          2HB       LYS  49  11.157  -6.205 -12.023
  348    HG2  LYS  49          1HG       LYS  49  10.991  -4.028  -9.911
  349    HG3  LYS  49          2HG       LYS  49  11.439  -3.847 -11.607
  350    HD2  LYS  49          1HD       LYS  49   9.117  -4.594 -12.254
  351    HD3  LYS  49          2HD       LYS  49   8.675  -4.583 -10.543
  352    HE2  LYS  49          1HE       LYS  49   9.558  -2.194 -12.224
  353    HE3  LYS  49          2HE       LYS  49   7.934  -2.532 -11.620
  354    HZ1  LYS  49          1HZ       LYS  49   8.838  -0.987 -10.102
  355    HZ2  LYS  49          2HZ       LYS  49  10.295  -1.737 -10.026
  356    HZ3  LYS  49          3HZ       LYS  49   8.984  -2.417  -9.325
  357    H    ASP  50           H        ASP  50   9.683  -8.539 -11.864
  358    HA   ASP  50           HA       ASP  50  10.701 -10.937 -10.634
  359    HB2  ASP  50          1HB       ASP  50   8.627 -10.753 -12.018
  360    HB3  ASP  50          2HB       ASP  50   9.628 -10.431 -13.435
  361    H    ARG  51           H        ARG  51  12.439 -12.242 -11.171
  362    HA   ARG  51           HA       ARG  51  14.694 -10.889 -12.441
  363    HB2  ARG  51          1HB       ARG  51  16.066 -12.600 -11.513
  364    HB3  ARG  51          2HB       ARG  51  14.916 -12.059 -10.294
  365    HG2  ARG  51          1HG       ARG  51  13.517 -14.096 -10.742
  366    HG3  ARG  51          2HG       ARG  51  14.719 -14.629 -11.934
  367    HD2  ARG  51          1HD       ARG  51  16.456 -14.672 -10.179
  368    HD3  ARG  51          2HD       ARG  51  15.277 -14.164  -8.973
  369    HE   ARG  51           HE       ARG  51  15.526 -16.813 -10.273
  370   HH11  ARG  51          1HH1      ARG  51  13.552 -14.879  -8.111
  371   HH12  ARG  51          2HH1      ARG  51  12.712 -16.276  -7.494
  372   HH21  ARG  51          1HH2      ARG  51  14.418 -18.537  -9.439
  373   HH22  ARG  51          2HH2      ARG  51  13.194 -18.287  -8.228
  374    H    VAL  52           H        VAL  52  12.331 -12.421 -14.028
  375    HA   VAL  52           HA       VAL  52  14.157 -13.537 -16.124
  376    HB   VAL  52           HB       VAL  52  11.499 -14.779 -15.310
  377   HG11  VAL  52          1HG1      VAL  52  12.284 -16.673 -16.699
  378   HG12  VAL  52          2HG1      VAL  52  12.126 -15.201 -17.653
  379   HG13  VAL  52          3HG1      VAL  52  13.738 -15.750 -17.139
  380   HG21  VAL  52          1HG2      VAL  52  12.866 -16.680 -14.427
  381   HG22  VAL  52          2HG2      VAL  52  14.324 -15.677 -14.599
  382   HG23  VAL  52          3HG2      VAL  52  13.022 -15.210 -13.473
  383    H    THR  53           H        THR  53  10.945 -12.113 -15.354
  384    HA   THR  53           HA       THR  53  10.591 -11.438 -18.232
  385    HB   THR  53           HB       THR  53   8.253 -11.163 -17.790
  386    HG1  THR  53          1HG       THR  53   7.458 -11.598 -15.674
  387   HG21  THR  53          1HG2      THR  53   9.107 -13.713 -16.356
  388   HG22  THR  53          2HG2      THR  53   9.057 -13.514 -18.123
  389   HG23  THR  53          3HG2      THR  53   7.564 -13.395 -17.175
  390    H    GLY  54           H        GLY  54  11.349 -10.052 -15.198
  391    HA2  GLY  54          1HA       GLY  54  11.917  -7.937 -14.606
  392    HA3  GLY  54          2HA       GLY  54  11.727  -7.479 -16.297
  393    H    GLN  55           H        GLN  55   8.802  -8.776 -15.301
  394    HA   GLN  55           HA       GLN  55   7.503  -6.140 -15.031
  395    HB2  GLN  55          1HB       GLN  55   6.229  -8.898 -14.946
  396    HB3  GLN  55          2HB       GLN  55   5.438  -7.352 -15.246
  397    HG2  GLN  55          1HG       GLN  55   7.305  -8.884 -17.091
  398    HG3  GLN  55          2HG       GLN  55   5.609  -8.521 -17.339
  399   HE21  GLN  55          1HE2      GLN  55   8.746  -7.549 -18.182
  400   HE22  GLN  55          2HE2      GLN  55   8.331  -5.932 -18.752
  401    H    HIS  56           H        HIS  56   5.728  -5.955 -13.228
  402    HA   HIS  56           HA       HIS  56   6.951  -6.542 -10.641
  403    HB2  HIS  56          1HB       HIS  56   5.168  -5.439  -9.624
  404    HB3  HIS  56          2HB       HIS  56   5.554  -4.516 -11.067
  405    HD2  HIS  56          2HD       HIS  56   3.509  -3.963 -12.635
  406    HE1  HIS  56          1HE       HIS  56   0.607  -6.546 -10.888
  407    HE2  HIS  56          2HE       HIS  56   0.960  -4.665 -12.538
  408    H    GLN  57           H        GLN  57   6.244  -7.971  -9.035
  409    HA   GLN  57           HA       GLN  57   5.212 -10.485 -10.154
  410    HB2  GLN  57          1HB       GLN  57   6.593  -9.822  -7.541
  411    HB3  GLN  57          2HB       GLN  57   6.003 -11.438  -7.967
  412    HG2  GLN  57          1HG       GLN  57   7.362 -11.356 -10.070
  413    HG3  GLN  57          2HG       GLN  57   8.104  -9.858  -9.499
  414   HE21  GLN  57          1HE2      GLN  57   9.150 -12.793  -9.978
  415   HE22  GLN  57          2HE2      GLN  57   9.965 -13.119  -8.449
  416    H    GLY  58           H        GLY  58   3.235  -8.313  -9.681
  417    HA2  GLY  58          1HA       GLY  58   0.951  -8.501  -9.372
  418    HA3  GLY  58          2HA       GLY  58   1.163 -10.035  -8.535
  419    H    TYR  59           H        TYR  59   3.173  -7.730  -7.067
  420    HA   TYR  59           HA       TYR  59   1.105  -6.588  -5.316
  421    HB2  TYR  59          1HB       TYR  59   2.059  -7.359  -3.276
  422    HB3  TYR  59          2HB       TYR  59   1.676  -8.748  -4.268
  423    HD1  TYR  59          1HD       TYR  59   4.306  -6.918  -2.523
  424    HD2  TYR  59          2HD       TYR  59   3.535 -10.011  -5.432
  425    HE1  TYR  59          1HE       TYR  59   6.607  -7.814  -2.199
  426    HE2  TYR  59          2HE       TYR  59   5.861 -10.846  -5.168
  427    HH   TYR  59           HH       TYR  59   7.863 -10.596  -4.074
  428    H    GLY  60           H        GLY  60   1.865  -4.944  -3.905
  429    HA2  GLY  60          1HA       GLY  60   4.464  -3.639  -4.466
  430    HA3  GLY  60          2HA       GLY  60   2.983  -2.777  -4.895
  431    H    PHE  61           H        PHE  61   4.337  -1.389  -3.327
  432    HA   PHE  61           HA       PHE  61   2.993  -1.464  -0.700
  433    HB2  PHE  61          1HB       PHE  61   5.968  -0.981  -1.085
  434    HB3  PHE  61          2HB       PHE  61   5.106  -0.913   0.426
  435    HD1  PHE  61          1HD       PHE  61   4.510  -2.921   1.660
  436    HD2  PHE  61          2HD       PHE  61   6.515  -3.163  -2.145
  437    HE1  PHE  61          1HE       PHE  61   5.147  -5.279   2.145
  438    HE2  PHE  61          2HE       PHE  61   7.135  -5.519  -1.671
  439    HZ   PHE  61           HZ       PHE  61   6.450  -6.582   0.473
  440    H    VAL  62           H        VAL  62   2.817   0.544   0.325
  441    HA   VAL  62           HA       VAL  62   3.725   2.988  -1.136
  442    HB   VAL  62           HB       VAL  62   0.924   2.725   0.021
  443   HG11  VAL  62          1HG1      VAL  62   0.560   4.847  -1.143
  444   HG12  VAL  62          2HG1      VAL  62   1.853   5.004   0.032
  445   HG13  VAL  62          3HG1      VAL  62   2.244   4.851  -1.702
  446   HG21  VAL  62          1HG2      VAL  62   1.817   2.562  -2.878
  447   HG22  VAL  62          2HG2      VAL  62   0.953   1.318  -1.951
  448   HG23  VAL  62          3HG2      VAL  62   0.142   2.832  -2.350
  449    H    GLU  63           H        GLU  63   4.744   4.377   0.181
  450    HA   GLU  63           HA       GLU  63   4.669   3.880   3.122
  451    HB2  GLU  63          1HB       GLU  63   6.805   3.622   1.920
  452    HB3  GLU  63          2HB       GLU  63   6.701   5.327   1.427
  453    HG2  GLU  63          1HG       GLU  63   6.944   6.104   3.667
  454    HG3  GLU  63          2HG       GLU  63   6.651   4.502   4.345
  455    H    PHE  64           H        PHE  64   3.565   5.217   4.362
  456    HA   PHE  64           HA       PHE  64   2.843   7.932   3.401
  457    HB2  PHE  64          1HB       PHE  64   1.760   6.140   5.598
  458    HB3  PHE  64          2HB       PHE  64   1.302   7.822   5.411
  459    HD1  PHE  64          1HD       PHE  64   1.015   4.457   3.901
  460    HD2  PHE  64          2HD       PHE  64   0.025   8.634   3.520
  461    HE1  PHE  64          1HE       PHE  64  -0.701   3.896   2.190
  462    HE2  PHE  64          2HE       PHE  64  -1.686   8.066   1.801
  463    HZ   PHE  64           HZ       PHE  64  -2.078   5.719   1.174
  464    H    LEU  65           H        LEU  65   2.909   9.718   4.853
  465    HA   LEU  65           HA       LEU  65   5.391  10.087   6.168
  466    HB2  LEU  65          1HB       LEU  65   3.719  11.810   5.187
  467    HB3  LEU  65          2HB       LEU  65   2.846  11.640   6.716
  468    HG   LEU  65           HG       LEU  65   5.055  12.291   7.876
  469   HD11  LEU  65          1HD1      LEU  65   6.626  13.623   6.496
  470   HD12  LEU  65          2HD1      LEU  65   5.721  13.179   5.032
  471   HD13  LEU  65          3HD1      LEU  65   6.591  11.938   5.962
  472   HD21  LEU  65          1HD2      LEU  65   4.675  14.700   7.461
  473   HD22  LEU  65          2HD2      LEU  65   3.142  13.834   7.641
  474   HD23  LEU  65          3HD2      LEU  65   3.706  14.307   6.022
  475    H    SER  66           H        SER  66   2.265   9.044   7.474
  476    HA   SER  66           HA       SER  66   3.536   8.326  10.076
  477    HB2  SER  66          1HB       SER  66   0.893   9.799   9.991
  478    HB3  SER  66          2HB       SER  66   1.891   9.403  11.389
  479    HG   SER  66           HG       SER  66   2.058  11.616  10.792
  480    H    GLU  67           H        GLU  67   2.486   6.894  11.322
  481    HA   GLU  67           HA       GLU  67   1.439   4.652  10.012
  482    HB2  GLU  67          1HB       GLU  67   1.130   5.397  12.946
  483    HB3  GLU  67          2HB       GLU  67   1.066   3.790  12.223
  484    HG2  GLU  67          1HG       GLU  67   3.202   3.654  12.901
  485    HG3  GLU  67          2HG       GLU  67   3.520   4.465  11.370
  486    H    GLU  68           H        GLU  68  -0.381   7.297  11.565
  487    HA   GLU  68           HA       GLU  68  -2.942   5.949  11.436
  488    HB2  GLU  68          1HB       GLU  68  -3.889   8.104  12.037
  489    HB3  GLU  68          2HB       GLU  68  -2.518   7.695  13.064
  490    HG2  GLU  68          1HG       GLU  68  -1.066   9.228  11.724
  491    HG3  GLU  68          2HG       GLU  68  -2.456   9.657  10.727
  492    H    ASP  69           H        ASP  69  -1.117   7.807   9.087
  493    HA   ASP  69           HA       ASP  69  -3.370   8.144   7.222
  494    HB2  ASP  69          1HB       ASP  69  -0.362   8.496   6.932
  495    HB3  ASP  69          2HB       ASP  69  -1.513   8.820   5.656
  496    H    ALA  70           H        ALA  70  -0.733   5.823   7.794
  497    HA   ALA  70           HA       ALA  70  -1.261   4.187   5.474
  498    HB1  ALA  70          1HB       ALA  70   0.125   3.566   8.148
  499    HB2  ALA  70          2HB       ALA  70   0.212   2.571   6.688
  500    HB3  ALA  70          3HB       ALA  70   0.905   4.202   6.695
  501    H    ASP  71           H        ASP  71  -2.268   3.915   8.940
  502    HA   ASP  71           HA       ASP  71  -3.919   1.634   8.721
  503    HB2  ASP  71          1HB       ASP  71  -3.210   2.709  10.824
  504    HB3  ASP  71          2HB       ASP  71  -4.244   4.095  10.473
  505    H    TYR  72           H        TYR  72  -4.693   5.023   7.916
  506    HA   TYR  72           HA       TYR  72  -7.490   4.477   7.360
  507    HB2  TYR  72          1HB       TYR  72  -6.557   6.706   8.019
  508    HB3  TYR  72          2HB       TYR  72  -5.776   6.800   6.436
  509    HD1  TYR  72          1HD       TYR  72  -6.974   7.700   4.627
  510    HD2  TYR  72          2HD       TYR  72  -9.147   6.314   8.068
  511    HE1  TYR  72          1HE       TYR  72  -9.093   8.573   3.628
  512    HE2  TYR  72          2HE       TYR  72 -11.268   7.171   7.080
  513    HH   TYR  72           HH       TYR  72 -12.246   8.244   5.305
  514    H    ALA  73           H        ALA  73  -4.516   4.485   5.347
  515    HA   ALA  73           HA       ALA  73  -5.882   4.197   2.811
  516    HB1  ALA  73          1HB       ALA  73  -3.085   3.300   3.608
  517    HB2  ALA  73          2HB       ALA  73  -3.701   3.651   1.976
  518    HB3  ALA  73          3HB       ALA  73  -3.518   4.958   3.158
  519    H    ILE  74           H        ILE  74  -4.684   1.873   5.242
  520    HA   ILE  74           HA       ILE  74  -5.470  -0.525   3.876
  521    HB   ILE  74           HB       ILE  74  -5.208   0.056   6.855
  522   HG12  ILE  74          1HG1      ILE  74  -3.209  -1.345   5.036
  523   HG13  ILE  74          2HG1      ILE  74  -3.164   0.392   5.302
  524   HG21  ILE  74          1HG2      ILE  74  -5.374  -2.584   5.340
  525   HG22  ILE  74          2HG2      ILE  74  -4.899  -2.458   7.042
  526   HG23  ILE  74          3HG2      ILE  74  -6.523  -1.992   6.551
  527   HD11  ILE  74          1HD1      ILE  74  -2.772   0.108   7.671
  528   HD12  ILE  74          2HD1      ILE  74  -2.895  -1.662   7.521
  529   HD13  ILE  74          3HD1      ILE  74  -1.583  -0.788   6.719
  530    H    LYS  75           H        LYS  75  -7.326   1.750   5.892
  531    HA   LYS  75           HA       LYS  75  -9.717   0.139   6.025
  532    HB2  LYS  75          1HB       LYS  75  -9.172   1.940   7.608
  533    HB3  LYS  75          2HB       LYS  75  -9.379   3.152   6.339
  534    HG2  LYS  75          1HG       LYS  75 -11.729   2.570   6.067
  535    HG3  LYS  75          2HG       LYS  75 -11.572   1.253   7.231
  536    HD2  LYS  75          1HD       LYS  75 -11.171   4.218   7.848
  537    HD3  LYS  75          2HD       LYS  75 -12.656   3.304   8.151
  538    HE2  LYS  75          1HE       LYS  75 -11.382   1.766   9.661
  539    HE3  LYS  75          2HE       LYS  75  -9.935   2.753   9.422
  540    HZ1  LYS  75          1HZ       LYS  75 -11.104   3.387  11.446
  541    HZ2  LYS  75          2HZ       LYS  75 -12.475   3.717  10.627
  542    HZ3  LYS  75          3HZ       LYS  75 -11.142   4.637  10.400
  543    H    ILE  76           H        ILE  76  -8.758   2.756   3.736
  544    HA   ILE  76           HA       ILE  76 -11.303   2.397   2.326
  545    HB   ILE  76           HB       ILE  76 -10.682   4.277   0.975
  546   HG12  ILE  76          1HG1      ILE  76  -8.109   4.535   2.560
  547   HG13  ILE  76          2HG1      ILE  76  -8.218   3.965   0.908
  548   HG21  ILE  76          1HG2      ILE  76 -10.209   4.848   3.939
  549   HG22  ILE  76          2HG2      ILE  76 -10.923   5.938   2.738
  550   HG23  ILE  76          3HG2      ILE  76 -11.800   4.489   3.230
  551   HD11  ILE  76          1HD1      ILE  76  -7.648   6.252   0.755
  552   HD12  ILE  76          2HD1      ILE  76  -9.357   6.164   0.319
  553   HD13  ILE  76          3HD1      ILE  76  -8.877   6.722   1.944
  554    H    MET  77           H        MET  77  -7.926   1.508   1.555
  555    HA   MET  77           HA       MET  77  -8.725   0.908  -1.221
  556    HB2  MET  77          1HB       MET  77  -6.078   1.093   0.148
  557    HB3  MET  77          2HB       MET  77  -6.224   0.468  -1.487
  558    HG2  MET  77          1HG       MET  77  -7.475   3.120  -0.815
  559    HG3  MET  77          2HG       MET  77  -5.753   3.019  -1.079
  560    HE1  MET  77          1HE       MET  77  -7.135   4.691  -4.249
  561    HE2  MET  77          2HE       MET  77  -6.854   4.947  -2.521
  562    HE3  MET  77          3HE       MET  77  -5.513   4.410  -3.573
  563    H    ASP  78           H        ASP  78  -9.113  -0.856   1.389
  564    HA   ASP  78           HA       ASP  78  -8.072  -3.397   0.303
  565    HB2  ASP  78          1HB       ASP  78  -7.821  -2.945   2.713
  566    HB3  ASP  78          2HB       ASP  78  -9.579  -2.913   2.899
  567    H    MET  79           H        MET  79  -9.237  -5.017  -0.565
  568    HA   MET  79           HA       MET  79 -10.743  -5.945  -1.875
  569    HB2  MET  79          1HB       MET  79 -12.949  -4.903  -0.080
  570    HB3  MET  79          2HB       MET  79 -12.984  -6.287  -1.176
  571    HG2  MET  79          1HG       MET  79 -10.939  -7.133   0.242
  572    HG3  MET  79          2HG       MET  79 -11.510  -5.974   1.440
  573    HE1  MET  79          1HE       MET  79 -11.794  -9.354  -0.224
  574    HE2  MET  79          2HE       MET  79 -13.449  -9.926   0.098
  575    HE3  MET  79          3HE       MET  79 -13.169  -8.606  -1.060
  576    H    ILE  80           H        ILE  80 -10.086  -2.986  -2.276
  577    HA   ILE  80           HA       ILE  80 -12.164  -2.086  -4.140
  578    HB   ILE  80           HB       ILE  80  -9.551  -1.088  -3.095
  579   HG12  ILE  80          1HG1      ILE  80 -12.315   0.046  -3.610
  580   HG13  ILE  80          2HG1      ILE  80 -11.531  -0.299  -2.069
  581   HG21  ILE  80          1HG2      ILE  80  -9.158   0.569  -4.737
  582   HG22  ILE  80          2HG2      ILE  80  -9.024  -1.010  -5.466
  583   HG23  ILE  80          3HG2      ILE  80 -10.497  -0.036  -5.762
  584   HD11  ILE  80          1HD1      ILE  80  -9.869   1.577  -2.662
  585   HD12  ILE  80          2HD1      ILE  80 -10.952   1.975  -4.004
  586   HD13  ILE  80          3HD1      ILE  80 -11.542   2.073  -2.340
  587    H    LYS  81           H        LYS  81 -11.884  -1.963  -6.429
  588    HA   LYS  81           HA       LYS  81 -10.293  -4.235  -7.547
  589    HB2  LYS  81          1HB       LYS  81 -12.975  -3.086  -8.354
  590    HB3  LYS  81          2HB       LYS  81 -12.096  -4.348  -9.236
  591    HG2  LYS  81          1HG       LYS  81 -12.140  -5.752  -7.114
  592    HG3  LYS  81          2HG       LYS  81 -13.189  -4.528  -6.395
  593    HD2  LYS  81          1HD       LYS  81 -14.645  -6.220  -7.154
  594    HD3  LYS  81          2HD       LYS  81 -14.789  -4.919  -8.346
  595    HE2  LYS  81          1HE       LYS  81 -13.115  -6.155  -9.788
  596    HE3  LYS  81          2HE       LYS  81 -13.138  -7.472  -8.610
  597    HZ1  LYS  81          1HZ       LYS  81 -15.506  -6.526 -10.140
  598    HZ2  LYS  81          2HZ       LYS  81 -15.521  -7.742  -9.051
  599    HZ3  LYS  81          3HZ       LYS  81 -14.680  -7.900 -10.440
  600    H    LEU  82           H        LEU  82  -8.522  -2.642  -7.631
  601    HA   LEU  82           HA       LEU  82  -8.460  -0.477  -9.495
  602    HB2  LEU  82          1HB       LEU  82  -6.802  -0.900  -7.687
  603    HB3  LEU  82          2HB       LEU  82  -6.219  -2.323  -8.549
  604    HG   LEU  82           HG       LEU  82  -5.346  -0.942 -10.359
  605   HD11  LEU  82          1HD1      LEU  82  -6.595   1.388  -8.844
  606   HD12  LEU  82          2HD1      LEU  82  -6.932   0.887 -10.515
  607   HD13  LEU  82          3HD1      LEU  82  -5.367   1.578 -10.109
  608   HD21  LEU  82          1HD2      LEU  82  -3.962  -1.281  -8.330
  609   HD22  LEU  82          2HD2      LEU  82  -4.631   0.203  -7.621
  610   HD23  LEU  82          3HD2      LEU  82  -3.628   0.289  -9.082
  611    H    TYR  83           H        TYR  83  -8.330  -0.433 -11.746
  612    HA   TYR  83           HA       TYR  83  -9.007  -1.292 -13.740
  613    HB2  TYR  83          1HB       TYR  83  -6.515  -2.965 -13.345
  614    HB3  TYR  83          2HB       TYR  83  -7.265  -2.581 -14.886
  615    HD1  TYR  83          1HD       TYR  83  -7.752   0.117 -15.175
  616    HD2  TYR  83          2HD       TYR  83  -4.590  -1.725 -12.890
  617    HE1  TYR  83          1HE       TYR  83  -6.360   2.161 -15.454
  618    HE2  TYR  83          2HE       TYR  83  -3.189   0.307 -13.205
  619    HH   TYR  83           HH       TYR  83  -4.348   3.164 -15.034
  620    H    GLY  84           H        GLY  84 -10.463  -2.780 -11.633
  621    HA2  GLY  84          1HA       GLY  84 -12.140  -4.350 -11.783
  622    HA3  GLY  84          2HA       GLY  84 -11.595  -4.791 -13.396
  623    H    LYS  85           H        LYS  85  -9.478  -5.008 -10.569
  624    HA   LYS  85           HA       LYS  85  -9.687  -7.935 -10.350
  625    HB2  LYS  85          1HB       LYS  85  -7.858  -7.420 -11.943
  626    HB3  LYS  85          2HB       LYS  85  -7.105  -6.360 -10.743
  627    HG2  LYS  85          1HG       LYS  85  -6.851  -8.328  -9.207
  628    HG3  LYS  85          2HG       LYS  85  -7.570  -9.365 -10.453
  629    HD2  LYS  85          1HD       LYS  85  -5.716  -8.794 -12.002
  630    HD3  LYS  85          2HD       LYS  85  -5.016  -7.724 -10.767
  631    HE2  LYS  85          1HE       LYS  85  -4.785  -9.656  -9.225
  632    HE3  LYS  85          2HE       LYS  85  -5.465 -10.726 -10.457
  633    HZ1  LYS  85          1HZ       LYS  85  -3.562 -10.177 -11.884
  634    HZ2  LYS  85          2HZ       LYS  85  -3.037 -10.798 -10.471
  635    HZ3  LYS  85          3HZ       LYS  85  -2.932  -9.186 -10.738
  636    HA   PRO  86           HA       PRO  86 -10.012  -6.088  -6.296
  637    HB2  PRO  86          1HB       PRO  86 -10.349  -8.339  -4.735
  638    HB3  PRO  86          2HB       PRO  86 -11.614  -7.591  -5.755
  639    HG2  PRO  86          1HG       PRO  86  -9.825  -9.938  -6.416
  640    HG3  PRO  86          2HG       PRO  86 -11.592  -9.776  -6.677
  641    HD2  PRO  86          1HD       PRO  86  -9.801  -9.360  -8.672
  642    HD3  PRO  86          2HD       PRO  86 -11.258  -8.316  -8.547
  643    H    ILE  87           H        ILE  87  -8.492  -5.205  -5.132
  644    HA   ILE  87           HA       ILE  87  -5.944  -6.617  -4.578
  645    HB   ILE  87           HB       ILE  87  -5.071  -4.417  -3.894
  646   HG12  ILE  87          1HG1      ILE  87  -7.436  -3.106  -5.263
  647   HG13  ILE  87          2HG1      ILE  87  -7.426  -3.356  -3.514
  648   HG21  ILE  87          1HG2      ILE  87  -4.802  -3.587  -6.224
  649   HG22  ILE  87          2HG2      ILE  87  -4.637  -5.343  -6.102
  650   HG23  ILE  87          3HG2      ILE  87  -6.133  -4.635  -6.746
  651   HD11  ILE  87          1HD1      ILE  87  -5.357  -2.022  -3.321
  652   HD12  ILE  87          2HD1      ILE  87  -5.376  -1.732  -5.077
  653   HD13  ILE  87          3HD1      ILE  87  -6.681  -1.105  -4.058
  654    H    ARG  88           H        ARG  88  -5.118  -6.875  -2.559
  655    HA   ARG  88           HA       ARG  88  -6.901  -6.273  -0.230
  656    HB2  ARG  88          1HB       ARG  88  -4.881  -8.531  -0.459
  657    HB3  ARG  88          2HB       ARG  88  -5.815  -8.123   0.975
  658    HG2  ARG  88          1HG       ARG  88  -6.848  -9.255  -1.645
  659    HG3  ARG  88          2HG       ARG  88  -6.833 -10.024  -0.062
  660    HD2  ARG  88          1HD       ARG  88  -8.580  -7.717  -0.986
  661    HD3  ARG  88          2HD       ARG  88  -9.097  -9.344  -0.607
  662    HE   ARG  88           HE       ARG  88  -8.396  -7.167   1.291
  663   HH11  ARG  88          1HH1      ARG  88  -9.182 -10.587   1.128
  664   HH12  ARG  88          2HH1      ARG  88  -9.812 -10.589   2.754
  665   HH21  ARG  88          1HH2      ARG  88  -9.321  -7.200   3.231
  666   HH22  ARG  88          2HH2      ARG  88  -9.836  -8.715   3.946
  667    H    VAL  89           H        VAL  89  -6.115  -5.190   1.461
  668    HA   VAL  89           HA       VAL  89  -3.306  -4.186   1.274
  669    HB   VAL  89           HB       VAL  89  -5.734  -2.455   1.842
  670   HG11  VAL  89          1HG1      VAL  89  -4.180  -0.576   1.615
  671   HG12  VAL  89          2HG1      VAL  89  -3.649  -1.638   2.915
  672   HG13  VAL  89          3HG1      VAL  89  -2.822  -1.692   1.350
  673   HG21  VAL  89          1HG2      VAL  89  -5.152  -1.399  -0.369
  674   HG22  VAL  89          2HG2      VAL  89  -3.982  -2.704  -0.639
  675   HG23  VAL  89          3HG2      VAL  89  -5.718  -3.061  -0.541
  676    H    ASN  90           H        ASN  90  -2.197  -3.906   3.117
  677    HA   ASN  90           HA       ASN  90  -3.347  -3.769   5.778
  678    HB2  ASN  90          1HB       ASN  90  -3.472  -6.280   5.057
  679    HB3  ASN  90          2HB       ASN  90  -1.719  -6.258   5.143
  680   HD21  ASN  90          1HD2      ASN  90  -2.783  -8.090   6.695
  681   HD22  ASN  90          2HD2      ASN  90  -2.882  -7.563   8.368
  682    H    LYS  91           H        LYS  91  -1.291  -4.107   7.398
  683    HA   LYS  91           HA       LYS  91   0.695  -2.111   6.744
  684    HB2  LYS  91          1HB       LYS  91   0.790  -4.280   8.889
  685    HB3  LYS  91          2HB       LYS  91   1.748  -2.810   8.865
  686    HG2  LYS  91          1HG       LYS  91  -1.297  -2.820   9.045
  687    HG3  LYS  91          2HG       LYS  91  -0.266  -2.893  10.444
  688    HD2  LYS  91          1HD       LYS  91  -0.076  -0.647   8.395
  689    HD3  LYS  91          2HD       LYS  91  -1.173  -0.596   9.765
  690    HE2  LYS  91          1HE       LYS  91   1.876  -0.808   9.895
  691    HE3  LYS  91          2HE       LYS  91   0.928   0.659  10.139
  692    HZ1  LYS  91          1HZ       LYS  91   1.472  -0.261  12.265
  693    HZ2  LYS  91          2HZ       LYS  91   0.901  -1.741  11.890
  694    HZ3  LYS  91          3HZ       LYS  91  -0.134  -0.473  12.066
  695    H    ALA  92           H        ALA  92   2.867  -2.292   6.137
  696    HA   ALA  92           HA       ALA  92   3.743  -4.733   4.798
  697    HB1  ALA  92          1HB       ALA  92   5.256  -2.183   5.463
  698    HB2  ALA  92          2HB       ALA  92   5.744  -3.426   4.292
  699    HB3  ALA  92          3HB       ALA  92   4.290  -2.455   3.995
  700    H    SER  93           H        SER  93   3.574  -4.047   8.026
  701    HA   SER  93           HA       SER  93   5.879  -5.747   8.841
  702    HB2  SER  93          1HB       SER  93   5.329  -4.766  11.124
  703    HB3  SER  93          2HB       SER  93   5.942  -3.621   9.936
  704    HG   SER  93           HG       SER  93   4.064  -2.662   9.805
  705    H    ALA  94           H        ALA  94   2.754  -6.309   8.024
  706    HA   ALA  94           HA       ALA  94   1.501  -7.305  10.320
  707    HB1  ALA  94          1HB       ALA  94   0.360  -6.460   8.326
  708    HB2  ALA  94          2HB       ALA  94   0.920  -7.871   7.397
  709    HB3  ALA  94          3HB       ALA  94  -0.213  -8.075   8.751
  710    H    HIS  95           H        HIS  95   4.131  -8.748   9.782
  711    HA   HIS  95           HA       HIS  95   3.396 -11.499   9.080
  712    HB2  HIS  95          1HB       HIS  95   6.096 -10.352   9.860
  713    HB3  HIS  95          2HB       HIS  95   5.784 -11.854   8.990
  714    HD2  HIS  95          2HD       HIS  95   4.250 -11.302   6.522
  715    HE1  HIS  95          1HE       HIS  95   6.423  -7.696   5.841
  716    HE2  HIS  95          2HE       HIS  95   4.904  -9.439   4.775
  717    H    ASN  96           H        ASN  96   3.475  -9.851  12.074
  718    HA   ASN  96           HA       ASN  96   4.457 -12.130  13.660
  719    HB2  ASN  96          1HB       ASN  96   4.962  -9.879  14.411
  720    HB3  ASN  96          2HB       ASN  96   3.252  -9.447  14.436
  721   HD21  ASN  96          1HD2      ASN  96   2.071  -9.855  16.293
  722   HD22  ASN  96          2HD2      ASN  96   2.703 -10.800  17.636
  723    H    LYS  97           H        LYS  97   3.245 -13.787  14.374
  724    HA   LYS  97           HA       LYS  97   0.404 -13.943  13.766
  725    HB2  LYS  97          1HB       LYS  97   0.504 -16.190  14.648
  726    HB3  LYS  97          2HB       LYS  97   1.849 -15.895  13.548
  727    HG2  LYS  97          1HG       LYS  97   3.366 -15.565  15.515
  728    HG3  LYS  97          2HG       LYS  97   2.005 -15.905  16.601
  729    HD2  LYS  97          1HD       LYS  97   1.770 -18.163  15.603
  730    HD3  LYS  97          2HD       LYS  97   3.132 -17.824  14.514
  731    HE2  LYS  97          1HE       LYS  97   4.614 -17.479  16.483
  732    HE3  LYS  97          2HE       LYS  97   3.258 -17.821  17.565
  733    HZ1  LYS  97          1HZ       LYS  97   3.150 -20.063  16.609
  734    HZ2  LYS  97          2HZ       LYS  97   4.636 -19.790  17.222
  735    HZ3  LYS  97          3HZ       LYS  97   4.403 -19.746  15.609
  736    H    ASN  98           H        ASN  98  -1.326 -14.251  15.173
  737    HA   ASN  98           HA       ASN  98  -1.017 -13.419  18.001
  738    HB2  ASN  98          1HB       ASN  98  -2.690 -11.679  17.812
  739    HB3  ASN  98          2HB       ASN  98  -1.394 -11.346  16.676
  740   HD21  ASN  98          1HD2      ASN  98  -4.817 -12.309  16.981
  741   HD22  ASN  98          2HD2      ASN  98  -5.168 -12.029  15.283
  742    H    LEU  99           H        LEU  99  -2.861 -13.803  19.325
  743    HA   LEU  99           HA       LEU  99  -4.510 -16.140  18.574
  744    HB2  LEU  99          1HB       LEU  99  -4.381 -14.491  21.132
  745    HB3  LEU  99          2HB       LEU  99  -5.310 -15.969  20.915
  746    HG   LEU  99           HG       LEU  99  -2.268 -15.768  20.830
  747   HD11  LEU  99          1HD1      LEU  99  -3.239 -15.469  23.078
  748   HD12  LEU  99          2HD1      LEU  99  -2.375 -17.010  22.944
  749   HD13  LEU  99          3HD1      LEU  99  -4.153 -16.984  22.892
  750   HD21  LEU  99          1HD2      LEU  99  -4.097 -18.206  20.654
  751   HD22  LEU  99          2HD2      LEU  99  -2.333 -18.255  20.873
  752   HD23  LEU  99          3HD2      LEU  99  -3.009 -17.604  19.379
  753    H    SER 100           H        SER 100  -6.864 -16.087  18.952
  754    HA   SER 100           HA       SER 100  -8.158 -13.829  17.648
  755    HB2  SER 100          1HB       SER 100 -10.211 -15.190  17.999
  756    HB3  SER 100          2HB       SER 100  -8.907 -16.066  17.178
  757    HG   SER 100           HG       SER 100  -9.886 -17.312  18.856
  758    H    GLY 101           H        GLY 101  -7.603 -14.719  20.985
  759    HA2  GLY 101          1HA       GLY 101  -8.253 -12.222  22.072
  760    HA3  GLY 101          2HA       GLY 101  -9.705 -13.215  22.235
  761    HA   PRO 102           HA       PRO 102  -6.760 -14.130  25.821
  762    HB2  PRO 102          1HB       PRO 102  -8.066 -12.910  27.875
  763    HB3  PRO 102          2HB       PRO 102  -6.972 -12.018  26.773
  764    HG2  PRO 102          1HG       PRO 102 -10.000 -12.237  26.608
  765    HG3  PRO 102          2HG       PRO 102  -8.997 -10.749  26.562
  766    HD2  PRO 102          1HD       PRO 102  -9.881 -11.972  24.288
  767    HD3  PRO 102          2HD       PRO 102  -8.273 -11.192  24.363
  768    H    SER 103           H        SER 103  -7.287 -15.428  27.774
  769    HA   SER 103           HA       SER 103  -9.957 -16.663  27.942
  770    HB2  SER 103          1HB       SER 103  -9.190 -18.930  27.761
  771    HB3  SER 103          2HB       SER 103  -8.721 -18.071  26.293
  772    HG   SER 103           HG       SER 103  -6.612 -17.949  27.054
  773    H    SER 104           H        SER 104 -10.051 -18.255  29.811
  774    HA   SER 104           HA       SER 104  -8.911 -17.028  32.207
  775    HB2  SER 104          1HB       SER 104 -10.420 -18.623  33.371
  776    HB3  SER 104          2HB       SER 104 -11.244 -17.598  32.187
  777    HG   SER 104           HG       SER 104 -11.870 -19.815  32.026
  778    H    GLY 105           H        GLY 105  -7.590 -19.261  30.157
  779    HA2  GLY 105          1HA       GLY 105  -6.657 -21.383  31.849
  780    HA3  GLY 105          2HA       GLY 105  -5.985 -20.914  30.289
  Start of MODEL   20
    1    H1   GLY   1          1H        GLY   1  -4.895  12.559   1.085
    2    H2   GLY   1          2H        GLY   1  -6.279  13.429   0.929
    3    H3   GLY   1          3H        GLY   1  -5.377  13.564   2.295
    4    HA2  GLY   1          1HA       GLY   1  -4.481  14.365  -0.397
    5    HA3  GLY   1          2HA       GLY   1  -5.073  15.489   0.844
    6    H    SER   2           H        SER   2  -2.585  15.873  -0.234
    7    HA   SER   2           HA       SER   2  -0.455  14.739   1.357
    8    HB2  SER   2          1HB       SER   2  -0.503  17.265  -0.334
    9    HB3  SER   2          2HB       SER   2   0.943  16.436   0.275
   10    HG   SER   2           HG       SER   2   0.432  15.854  -1.896
   11    H    SER   3           H        SER   3   0.973  15.900   2.804
   12    HA   SER   3           HA       SER   3  -0.413  17.387   4.881
   13    HB2  SER   3          1HB       SER   3   1.853  17.274   5.957
   14    HB3  SER   3          2HB       SER   3   1.210  15.697   5.471
   15    HG   SER   3           HG       SER   3   3.513  16.442   4.862
   16    H    GLY   4           H        GLY   4   1.566  18.311   2.159
   17    HA2  GLY   4          1HA       GLY   4   2.206  20.444   1.429
   18    HA3  GLY   4          2HA       GLY   4   1.638  21.159   2.939
   19    H    SER   5           H        SER   5   3.689  18.431   3.487
   20    HA   SER   5           HA       SER   5   5.830  19.902   4.655
   21    HB2  SER   5          1HB       SER   5   5.786  17.038   3.627
   22    HB3  SER   5          2HB       SER   5   7.029  17.745   4.678
   23    HG   SER   5           HG       SER   5   5.564  16.723   5.993
   24    H    SER   6           H        SER   6   8.076  20.019   4.031
   25    HA   SER   6           HA       SER   6   8.406  21.159   1.440
   26    HB2  SER   6          1HB       SER   6  10.776  21.422   2.152
   27    HB3  SER   6          2HB       SER   6   9.600  22.006   3.343
   28    HG   SER   6           HG       SER   6  11.264  20.732   4.306
   29    H    GLY   7           H        GLY   7   9.025  17.871   2.518
   30    HA2  GLY   7          1HA       GLY   7   9.116  16.807  -0.065
   31    HA3  GLY   7          2HA       GLY   7  10.800  17.045   0.407
   32    HA   PRO   8           HA       PRO   8   9.178  12.874   1.926
   33    HB2  PRO   8          1HB       PRO   8  11.577  11.980   0.325
   34    HB3  PRO   8          2HB       PRO   8   9.997  11.165   0.531
   35    HG2  PRO   8          1HG       PRO   8  10.527  12.506  -1.751
   36    HG3  PRO   8          2HG       PRO   8   8.926  12.706  -0.960
   37    HD2  PRO   8          1HD       PRO   8  11.353  14.526  -0.771
   38    HD3  PRO   8          2HD       PRO   8   9.646  14.951  -1.106
   39    H    ILE   9           H        ILE   9  10.071  11.631   3.610
   40    HA   ILE   9           HA       ILE   9  12.434  12.733   4.984
   41    HB   ILE   9           HB       ILE   9  11.867  11.265   6.812
   42   HG12  ILE   9          1HG1      ILE   9   9.236  10.707   5.376
   43   HG13  ILE   9          2HG1      ILE   9  10.582   9.554   5.393
   44   HG21  ILE   9          1HG2      ILE   9  10.005  12.669   7.567
   45   HG22  ILE   9          2HG2      ILE   9  11.142  13.640   6.635
   46   HG23  ILE   9          3HG2      ILE   9   9.618  13.114   5.893
   47   HD11  ILE   9          1HD1      ILE   9   9.114  10.619   7.819
   48   HD12  ILE   9          2HD1      ILE   9   9.064   8.973   7.150
   49   HD13  ILE   9          3HD1      ILE   9  10.571   9.598   7.868
   50    H    SER  10           H        SER  10  14.335  11.746   5.379
   51    HA   SER  10           HA       SER  10  15.251   9.884   3.418
   52    HB2  SER  10          1HB       SER  10  16.652  10.835   5.943
   53    HB3  SER  10          2HB       SER  10  17.415  10.114   4.513
   54    HG   SER  10           HG       SER  10  17.521  12.414   4.490
   55    H    GLU  11           H        GLU  11  14.210   9.379   6.747
   56    HA   GLU  11           HA       GLU  11  15.225   6.604   6.809
   57    HB2  GLU  11          1HB       GLU  11  14.388   6.504   9.060
   58    HB3  GLU  11          2HB       GLU  11  15.409   7.922   8.829
   59    HG2  GLU  11          1HG       GLU  11  13.301   9.315   8.581
   60    HG3  GLU  11          2HG       GLU  11  12.365   7.880   9.008
   61    H    ARG  12           H        ARG  12  13.957   4.758   6.820
   62    HA   ARG  12           HA       ARG  12  11.402   5.054   5.330
   63    HB2  ARG  12          1HB       ARG  12  13.233   2.658   5.671
   64    HB3  ARG  12          2HB       ARG  12  11.792   2.690   4.666
   65    HG2  ARG  12          1HG       ARG  12  14.127   4.592   4.162
   66    HG3  ARG  12          2HG       ARG  12  14.120   2.946   3.564
   67    HD2  ARG  12          1HD       ARG  12  13.394   4.505   1.823
   68    HD3  ARG  12          2HD       ARG  12  12.155   3.321   2.222
   69    HE   ARG  12           HE       ARG  12  10.757   4.960   3.028
   70   HH11  ARG  12          1HH1      ARG  12  13.853   6.585   2.435
   71   HH12  ARG  12          2HH1      ARG  12  13.145   8.127   2.898
   72   HH21  ARG  12          1HH2      ARG  12  10.172   6.851   3.841
   73   HH22  ARG  12          2HH2      ARG  12  11.199   8.272   3.644
   74    H    ASN  13           H        ASN  13   9.522   4.716   6.176
   75    HA   ASN  13           HA       ASN  13   9.366   3.610   8.946
   76    HB2  ASN  13          1HB       ASN  13   7.575   5.475   7.342
   77    HB3  ASN  13          2HB       ASN  13   7.156   4.828   8.927
   78   HD21  ASN  13          1HD2      ASN  13   7.094   7.456   8.849
   79   HD22  ASN  13          2HD2      ASN  13   8.507   8.118   9.650
   80    H    GLN  14           H        GLN  14   9.373   1.334   8.395
   81    HA   GLN  14           HA       GLN  14   7.491   0.125   6.649
   82    HB2  GLN  14          1HB       GLN  14   9.554  -0.924   7.617
   83    HB3  GLN  14          2HB       GLN  14   8.692  -1.109   9.154
   84    HG2  GLN  14          1HG       GLN  14   6.981  -2.524   7.989
   85    HG3  GLN  14          2HG       GLN  14   7.860  -2.329   6.476
   86   HE21  GLN  14          1HE2      GLN  14   7.366  -4.916   7.332
   87   HE22  GLN  14          2HE2      GLN  14   8.876  -5.608   7.913
   88    H    ASP  15           H        ASP  15   7.112   1.070  10.071
   89    HA   ASP  15           HA       ASP  15   4.494  -0.135  10.395
   90    HB2  ASP  15          1HB       ASP  15   5.970   2.013  11.958
   91    HB3  ASP  15          2HB       ASP  15   4.410   1.344  12.436
   92    H    ALA  16           H        ALA  16   5.445   2.648   8.663
   93    HA   ALA  16           HA       ALA  16   2.601   3.517   8.463
   94    HB1  ALA  16          1HB       ALA  16   4.114   5.277   9.357
   95    HB2  ALA  16          2HB       ALA  16   5.073   5.168   7.858
   96    HB3  ALA  16          3HB       ALA  16   3.385   5.699   7.795
   97    H    THR  17           H        THR  17   4.454   1.353   7.075
   98    HA   THR  17           HA       THR  17   3.773   2.077   4.268
   99    HB   THR  17           HB       THR  17   5.595  -0.136   5.244
  100    HG1  THR  17          1HG       THR  17   6.392   2.020   5.511
  101   HG21  THR  17          1HG2      THR  17   4.627  -0.649   3.017
  102   HG22  THR  17          2HG2      THR  17   6.342  -0.232   2.874
  103   HG23  THR  17          3HG2      THR  17   5.114   0.956   2.430
  104    H    VAL  18           H        VAL  18   2.200   1.072   3.230
  105    HA   VAL  18           HA       VAL  18   0.821  -1.220   4.558
  106    HB   VAL  18           HB       VAL  18  -1.109  -0.804   3.238
  107   HG11  VAL  18          1HG1      VAL  18  -0.814   0.519   5.332
  108   HG12  VAL  18          2HG1      VAL  18  -0.150   1.858   4.367
  109   HG13  VAL  18          3HG1      VAL  18  -1.824   1.343   4.128
  110   HG21  VAL  18          1HG2      VAL  18  -1.374   1.139   1.764
  111   HG22  VAL  18          2HG2      VAL  18   0.336   1.545   1.971
  112   HG23  VAL  18          3HG2      VAL  18  -0.137   0.049   1.129
  113    H    TYR  19           H        TYR  19   0.431  -3.082   3.444
  114    HA   TYR  19           HA       TYR  19   2.050  -3.649   0.992
  115    HB2  TYR  19          1HB       TYR  19   2.519  -5.231   2.706
  116    HB3  TYR  19          2HB       TYR  19   0.841  -5.334   3.196
  117    HD1  TYR  19          1HD       TYR  19  -0.820  -6.624   1.906
  118    HD2  TYR  19          2HD       TYR  19   3.347  -6.565   0.808
  119    HE1  TYR  19          1HE       TYR  19  -1.179  -8.606   0.437
  120    HE2  TYR  19          2HE       TYR  19   2.997  -8.571  -0.625
  121    HH   TYR  19           HH       TYR  19   1.495 -10.111  -1.415
  122    H    VAL  20           H        VAL  20   1.011  -4.243  -0.866
  123    HA   VAL  20           HA       VAL  20  -1.977  -4.338  -0.929
  124    HB   VAL  20           HB       VAL  20  -0.270  -2.923  -3.015
  125   HG11  VAL  20          1HG1      VAL  20  -2.474  -2.141  -3.826
  126   HG12  VAL  20          2HG1      VAL  20  -2.403  -3.913  -3.828
  127   HG13  VAL  20          3HG1      VAL  20  -3.284  -3.066  -2.549
  128   HG21  VAL  20          1HG2      VAL  20  -0.216  -1.551  -0.984
  129   HG22  VAL  20          2HG2      VAL  20  -1.248  -0.817  -2.207
  130   HG23  VAL  20          3HG2      VAL  20  -1.982  -1.672  -0.831
  131    H    GLY  21           H        GLY  21  -2.347  -6.430  -1.399
  132    HA2  GLY  21          1HA       GLY  21  -0.652  -7.854  -3.419
  133    HA3  GLY  21          2HA       GLY  21  -1.673  -8.614  -2.212
  134    H    GLY  22           H        GLY  22  -1.512  -8.683  -5.264
  135    HA2  GLY  22          1HA       GLY  22  -3.253  -9.698  -6.557
  136    HA3  GLY  22          2HA       GLY  22  -4.478  -8.796  -5.665
  137    H    LEU  23           H        LEU  23  -1.512  -7.504  -7.169
  138    HA   LEU  23           HA       LEU  23  -2.991  -5.284  -8.353
  139    HB2  LEU  23          1HB       LEU  23  -0.053  -6.087  -8.466
  140    HB3  LEU  23          2HB       LEU  23  -0.714  -4.575  -9.079
  141    HG   LEU  23           HG       LEU  23  -0.636  -5.462  -6.162
  142   HD11  LEU  23          1HD1      LEU  23   0.815  -3.237  -7.644
  143   HD12  LEU  23          2HD1      LEU  23   1.523  -4.784  -7.139
  144   HD13  LEU  23          3HD1      LEU  23   0.949  -3.630  -5.918
  145   HD21  LEU  23          1HD2      LEU  23  -1.329  -3.009  -5.798
  146   HD22  LEU  23          2HD2      LEU  23  -2.585  -4.143  -6.314
  147   HD23  LEU  23          3HD2      LEU  23  -1.873  -3.023  -7.485
  148    H    ASP  24           H        ASP  24  -3.236  -4.818 -10.506
  149    HA   ASP  24           HA       ASP  24  -3.132  -7.094 -12.345
  150    HB2  ASP  24          1HB       ASP  24  -5.127  -5.608 -12.239
  151    HB3  ASP  24          2HB       ASP  24  -4.130  -4.242 -12.754
  152    H    GLU  25           H        GLU  25  -2.139  -6.920 -14.527
  153    HA   GLU  25           HA       GLU  25   0.581  -6.121 -14.459
  154    HB2  GLU  25          1HB       GLU  25   0.635  -6.718 -16.802
  155    HB3  GLU  25          2HB       GLU  25  -0.277  -7.907 -15.875
  156    HG2  GLU  25          1HG       GLU  25  -2.410  -6.892 -16.673
  157    HG3  GLU  25          2HG       GLU  25  -1.495  -5.699 -17.596
  158    H    LYS  26           H        LYS  26  -2.211  -4.150 -15.259
  159    HA   LYS  26           HA       LYS  26  -0.650  -2.034 -16.563
  160    HB2  LYS  26          1HB       LYS  26  -3.503  -2.153 -15.516
  161    HB3  LYS  26          2HB       LYS  26  -2.811  -0.773 -16.382
  162    HG2  LYS  26          1HG       LYS  26  -2.293  -2.238 -18.322
  163    HG3  LYS  26          2HG       LYS  26  -3.061  -3.602 -17.511
  164    HD2  LYS  26          1HD       LYS  26  -4.417  -1.000 -18.321
  165    HD3  LYS  26          2HD       LYS  26  -4.527  -2.527 -19.192
  166    HE2  LYS  26          1HE       LYS  26  -5.568  -1.992 -16.376
  167    HE3  LYS  26          2HE       LYS  26  -6.540  -2.064 -17.848
  168    HZ1  LYS  26          1HZ       LYS  26  -6.679  -4.178 -16.776
  169    HZ2  LYS  26          2HZ       LYS  26  -5.068  -4.309 -16.579
  170    HZ3  LYS  26          3HZ       LYS  26  -5.732  -4.418 -18.085
  171    H    VAL  27           H        VAL  27  -0.947  -2.900 -13.287
  172    HA   VAL  27           HA       VAL  27  -0.782  -0.206 -12.144
  173    HB   VAL  27           HB       VAL  27  -0.269  -2.927 -10.878
  174   HG11  VAL  27          1HG1      VAL  27   0.826  -1.218  -9.535
  175   HG12  VAL  27          2HG1      VAL  27  -0.622  -0.196  -9.583
  176   HG13  VAL  27          3HG1      VAL  27  -0.640  -1.745  -8.739
  177   HG21  VAL  27          1HG2      VAL  27  -2.730  -1.122 -10.812
  178   HG22  VAL  27          2HG2      VAL  27  -2.609  -2.697 -11.623
  179   HG23  VAL  27          3HG2      VAL  27  -2.519  -2.607  -9.865
  180    H    SER  28           H        SER  28   0.986   0.892 -11.406
  181    HA   SER  28           HA       SER  28   3.597  -0.458 -11.235
  182    HB2  SER  28          1HB       SER  28   3.398   0.596 -13.560
  183    HB3  SER  28          2HB       SER  28   3.431   2.171 -12.735
  184    HG   SER  28           HG       SER  28   5.528   1.351 -13.407
  185    H    GLU  29           H        GLU  29   5.232   1.008 -10.147
  186    HA   GLU  29           HA       GLU  29   4.282   1.800  -7.628
  187    HB2  GLU  29          1HB       GLU  29   6.828   2.238  -9.204
  188    HB3  GLU  29          2HB       GLU  29   6.644   3.122  -7.703
  189    HG2  GLU  29          1HG       GLU  29   6.809   1.298  -6.366
  190    HG3  GLU  29          2HG       GLU  29   5.953   0.255  -7.469
  191    HA   PRO  30           HA       PRO  30   4.271   6.433  -8.759
  192    HB2  PRO  30          1HB       PRO  30   3.903   7.291 -11.319
  193    HB3  PRO  30          2HB       PRO  30   5.507   6.973 -10.591
  194    HG2  PRO  30          1HG       PRO  30   3.863   5.114 -12.319
  195    HG3  PRO  30          2HG       PRO  30   5.593   5.563 -12.507
  196    HD2  PRO  30          1HD       PRO  30   4.850   3.291 -11.285
  197    HD3  PRO  30          2HD       PRO  30   6.227   4.226 -10.661
  198    H    LEU  31           H        LEU  31   2.242   4.083 -10.453
  199    HA   LEU  31           HA       LEU  31  -0.193   5.699 -10.413
  200    HB2  LEU  31          1HB       LEU  31   0.015   3.658 -11.870
  201    HB3  LEU  31          2HB       LEU  31   0.121   2.667 -10.419
  202    HG   LEU  31           HG       LEU  31  -2.197   3.625  -9.724
  203   HD11  LEU  31          1HD1      LEU  31  -2.233   5.492 -11.335
  204   HD12  LEU  31          2HD1      LEU  31  -3.573   4.368 -11.621
  205   HD13  LEU  31          3HD1      LEU  31  -2.143   4.326 -12.682
  206   HD21  LEU  31          1HD2      LEU  31  -1.853   1.859 -12.169
  207   HD22  LEU  31          2HD2      LEU  31  -3.343   2.010 -11.213
  208   HD23  LEU  31          3HD2      LEU  31  -1.889   1.347 -10.458
  209    H    LEU  32           H        LEU  32   1.145   3.065  -8.349
  210    HA   LEU  32           HA       LEU  32  -0.855   3.152  -6.360
  211    HB2  LEU  32          1HB       LEU  32   2.127   2.583  -5.968
  212    HB3  LEU  32          2HB       LEU  32   0.842   2.224  -4.820
  213    HG   LEU  32           HG       LEU  32   1.327   0.917  -7.503
  214   HD11  LEU  32          1HD1      LEU  32   1.158  -0.164  -4.653
  215   HD12  LEU  32          2HD1      LEU  32   2.669   0.134  -5.555
  216   HD13  LEU  32          3HD1      LEU  32   1.527  -1.101  -6.119
  217   HD21  LEU  32          1HD2      LEU  32  -1.071   1.094  -7.331
  218   HD22  LEU  32          2HD2      LEU  32  -1.037   0.671  -5.597
  219   HD23  LEU  32          3HD2      LEU  32  -0.642  -0.551  -6.817
  220    H    TRP  33           H        TRP  33   2.134   5.088  -6.563
  221    HA   TRP  33           HA       TRP  33   1.888   6.443  -4.106
  222    HB2  TRP  33          1HB       TRP  33   3.807   6.386  -5.771
  223    HB3  TRP  33          2HB       TRP  33   2.976   7.600  -6.710
  224    HD1  TRP  33           HD       TRP  33   2.175   9.593  -4.284
  225    HE1  TRP  33          1HE       TRP  33   4.027  10.906  -3.070
  226    HE3  TRP  33          3HE       TRP  33   6.146   6.701  -5.582
  227    HZ2  TRP  33          2HZ       TRP  33   6.905  10.754  -2.776
  228    HZ3  TRP  33          3HZ       TRP  33   8.467   7.304  -4.850
  229    HH2  TRP  33           HH       TRP  33   8.844   9.329  -3.452
  230    H    GLU  34           H        GLU  34   0.949   7.772  -7.297
  231    HA   GLU  34           HA       GLU  34  -0.461  10.010  -6.221
  232    HB2  GLU  34          1HB       GLU  34  -0.659   8.636  -8.938
  233    HB3  GLU  34          2HB       GLU  34  -1.433  10.180  -8.536
  234    HG2  GLU  34          1HG       GLU  34   0.842  11.046  -7.852
  235    HG3  GLU  34          2HG       GLU  34   1.558   9.602  -8.556
  236    H    LEU  35           H        LEU  35  -1.664   6.768  -6.939
  237    HA   LEU  35           HA       LEU  35  -4.466   7.405  -6.650
  238    HB2  LEU  35          1HB       LEU  35  -3.332   5.340  -7.764
  239    HB3  LEU  35          2HB       LEU  35  -3.178   4.716  -6.115
  240    HG   LEU  35           HG       LEU  35  -5.745   5.109  -5.997
  241   HD11  LEU  35          1HD1      LEU  35  -6.926   4.916  -8.134
  242   HD12  LEU  35          2HD1      LEU  35  -5.384   5.018  -9.011
  243   HD13  LEU  35          3HD1      LEU  35  -5.979   6.410  -8.075
  244   HD21  LEU  35          1HD2      LEU  35  -4.694   2.905  -5.986
  245   HD22  LEU  35          2HD2      LEU  35  -4.586   2.933  -7.764
  246   HD23  LEU  35          3HD2      LEU  35  -6.172   2.894  -6.952
  247    H    PHE  36           H        PHE  36  -1.941   6.471  -4.308
  248    HA   PHE  36           HA       PHE  36  -3.894   6.141  -2.118
  249    HB2  PHE  36          1HB       PHE  36  -0.964   5.582  -2.489
  250    HB3  PHE  36          2HB       PHE  36  -1.617   5.701  -0.903
  251    HD1  PHE  36          1HD       PHE  36  -2.533   3.927  -4.129
  252    HD2  PHE  36          2HD       PHE  36  -2.228   3.721   0.158
  253    HE1  PHE  36          1HE       PHE  36  -3.205   1.548  -4.201
  254    HE2  PHE  36          2HE       PHE  36  -2.987   1.358   0.090
  255    HZ   PHE  36           HZ       PHE  36  -3.481   0.270  -2.088
  256    H    LEU  37           H        LEU  37  -2.032   8.765  -3.352
  257    HA   LEU  37           HA       LEU  37  -1.730  10.411  -1.087
  258    HB2  LEU  37          1HB       LEU  37  -2.513  10.990  -3.962
  259    HB3  LEU  37          2HB       LEU  37  -2.305  12.285  -2.786
  260    HG   LEU  37           HG       LEU  37  -0.131  10.383  -3.695
  261   HD11  LEU  37          1HD1      LEU  37  -0.489  13.372  -4.100
  262   HD12  LEU  37          2HD1      LEU  37  -0.814  12.135  -5.331
  263   HD13  LEU  37          3HD1      LEU  37   0.837  12.364  -4.722
  264   HD21  LEU  37          1HD2      LEU  37  -0.050  12.678  -1.709
  265   HD22  LEU  37          2HD2      LEU  37   1.383  11.874  -2.402
  266   HD23  LEU  37          3HD2      LEU  37   0.266  10.963  -1.378
  267    H    GLN  38           H        GLN  38  -4.693   9.336  -2.462
  268    HA   GLN  38           HA       GLN  38  -6.545  11.272  -1.458
  269    HB2  GLN  38          1HB       GLN  38  -6.926   8.257  -1.770
  270    HB3  GLN  38          2HB       GLN  38  -8.207   9.471  -1.622
  271    HG2  GLN  38          1HG       GLN  38  -7.380  10.543  -3.745
  272    HG3  GLN  38          2HG       GLN  38  -6.185   9.237  -3.867
  273   HE21  GLN  38          1HE2      GLN  38  -6.857   7.154  -4.518
  274   HE22  GLN  38          2HE2      GLN  38  -8.496   6.854  -5.121
  275    H    ALA  39           H        ALA  39  -5.031   8.432   0.085
  276    HA   ALA  39           HA       ALA  39  -6.575   8.636   2.545
  277    HB1  ALA  39          1HB       ALA  39  -5.664   6.494   1.743
  278    HB2  ALA  39          2HB       ALA  39  -4.017   7.132   1.846
  279    HB3  ALA  39          3HB       ALA  39  -4.965   6.905   3.325
  280    H    GLY  40           H        GLY  40  -3.209   9.498   1.641
  281    HA2  GLY  40          1HA       GLY  40  -3.043  11.746   3.447
  282    HA3  GLY  40          2HA       GLY  40  -2.281  10.316   4.133
  283    HA   PRO  41           HA       PRO  41   0.813  12.575   1.398
  284    HB2  PRO  41          1HB       PRO  41   2.784  12.921   3.273
  285    HB3  PRO  41          2HB       PRO  41   1.419  14.051   3.055
  286    HG2  PRO  41          1HG       PRO  41   1.625  11.770   5.046
  287    HG3  PRO  41          2HG       PRO  41   1.198  13.471   5.377
  288    HD2  PRO  41          1HD       PRO  41  -0.677  11.543   5.049
  289    HD3  PRO  41          2HD       PRO  41  -0.970  13.161   4.352
  290    H    VAL  42           H        VAL  42   1.430  10.936   0.115
  291    HA   VAL  42           HA       VAL  42   2.788   8.534   1.147
  292    HB   VAL  42           HB       VAL  42   2.164   9.350  -1.705
  293   HG11  VAL  42          1HG1      VAL  42   3.293   6.759  -0.545
  294   HG12  VAL  42          2HG1      VAL  42   2.701   6.953  -2.202
  295   HG13  VAL  42          3HG1      VAL  42   4.114   7.854  -1.677
  296   HG21  VAL  42          1HG2      VAL  42   0.470   7.571  -1.603
  297   HG22  VAL  42          2HG2      VAL  42   0.864   7.272   0.104
  298   HG23  VAL  42          3HG2      VAL  42   0.127   8.809  -0.393
  299    H    VAL  43           H        VAL  43   4.837   8.214   1.209
  300    HA   VAL  43           HA       VAL  43   6.749  10.413   0.576
  301    HB   VAL  43           HB       VAL  43   7.073   8.012   2.424
  302   HG11  VAL  43          1HG1      VAL  43   8.759   9.357   3.550
  303   HG12  VAL  43          2HG1      VAL  43   9.202   9.180   1.851
  304   HG13  VAL  43          3HG1      VAL  43   8.483  10.707   2.429
  305   HG21  VAL  43          1HG2      VAL  43   5.162   9.304   3.227
  306   HG22  VAL  43          2HG2      VAL  43   6.549   9.537   4.289
  307   HG23  VAL  43          3HG2      VAL  43   6.096  10.812   3.130
  308    H    ASN  44           H        ASN  44   6.168   6.970   0.045
  309    HA   ASN  44           HA       ASN  44   8.195   6.697  -2.045
  310    HB2  ASN  44          1HB       ASN  44   9.651   6.597  -0.127
  311    HB3  ASN  44          2HB       ASN  44   8.533   5.608   0.774
  312   HD21  ASN  44          1HD2      ASN  44   9.531   3.724   1.160
  313   HD22  ASN  44          2HD2      ASN  44  10.354   2.769  -0.086
  314    H    THR  45           H        THR  45   8.065   4.574  -3.089
  315    HA   THR  45           HA       THR  45   5.897   2.727  -2.276
  316    HB   THR  45           HB       THR  45   5.366   2.383  -4.754
  317    HG1  THR  45          1HG       THR  45   5.559   4.300  -5.982
  318   HG21  THR  45          1HG2      THR  45   4.447   5.026  -3.598
  319   HG22  THR  45          2HG2      THR  45   3.798   3.424  -3.167
  320   HG23  THR  45          3HG2      THR  45   3.640   4.000  -4.824
  321    H    HIS  46           H        HIS  46   6.139   0.556  -3.097
  322    HA   HIS  46           HA       HIS  46   8.734  -0.112  -4.383
  323    HB2  HIS  46          1HB       HIS  46   8.994  -0.231  -1.837
  324    HB3  HIS  46          2HB       HIS  46   7.717  -1.417  -1.833
  325    HD2  HIS  46          2HD       HIS  46   9.300  -3.310  -0.851
  326    HE1  HIS  46          1HE       HIS  46  11.739  -3.826  -4.314
  327    HE2  HIS  46          2HE       HIS  46  11.132  -4.790  -2.033
  328    H    MET  47           H        MET  47   8.390  -1.580  -5.974
  329    HA   MET  47           HA       MET  47   6.312  -3.685  -5.570
  330    HB2  MET  47          1HB       MET  47   6.562  -1.977  -8.053
  331    HB3  MET  47          2HB       MET  47   5.861  -3.596  -8.060
  332    HG2  MET  47          1HG       MET  47   4.163  -2.993  -6.492
  333    HG3  MET  47          2HG       MET  47   4.884  -1.411  -6.195
  334    HE1  MET  47          1HE       MET  47   2.602  -2.634 -10.008
  335    HE2  MET  47          2HE       MET  47   4.309  -3.068  -9.813
  336    HE3  MET  47          3HE       MET  47   3.094  -3.719  -8.683
  337    HA   PRO  48           HA       PRO  48  10.207  -5.863  -6.433
  338    HB2  PRO  48          1HB       PRO  48   8.248  -8.070  -5.738
  339    HB3  PRO  48          2HB       PRO  48   9.995  -7.952  -5.338
  340    HG2  PRO  48          1HG       PRO  48   8.202  -7.264  -3.462
  341    HG3  PRO  48          2HG       PRO  48   9.570  -6.157  -3.778
  342    HD2  PRO  48          1HD       PRO  48   6.731  -5.974  -4.843
  343    HD3  PRO  48          2HD       PRO  48   7.725  -4.680  -4.092
  344    H    LYS  49           H        LYS  49  10.926  -7.092  -8.179
  345    HA   LYS  49           HA       LYS  49   9.031  -7.307 -10.490
  346    HB2  LYS  49          1HB       LYS  49  11.931  -6.396 -10.468
  347    HB3  LYS  49          2HB       LYS  49  10.909  -6.497 -11.896
  348    HG2  LYS  49          1HG       LYS  49  10.311  -4.677  -9.530
  349    HG3  LYS  49          2HG       LYS  49  11.265  -4.188 -10.917
  350    HD2  LYS  49          1HD       LYS  49   9.460  -4.218 -12.398
  351    HD3  LYS  49          2HD       LYS  49   8.496  -5.293 -11.393
  352    HE2  LYS  49          1HE       LYS  49   7.619  -2.973 -11.430
  353    HE3  LYS  49          2HE       LYS  49   7.988  -3.577  -9.815
  354    HZ1  LYS  49          1HZ       LYS  49   8.785  -1.317 -10.075
  355    HZ2  LYS  49          2HZ       LYS  49   9.719  -1.727 -11.363
  356    HZ3  LYS  49          3HZ       LYS  49  10.048  -2.310  -9.860
  357    H    ASP  50           H        ASP  50   9.568  -8.645 -12.207
  358    HA   ASP  50           HA       ASP  50  10.797 -11.229 -11.582
  359    HB2  ASP  50          1HB       ASP  50   8.713 -11.059 -12.901
  360    HB3  ASP  50          2HB       ASP  50   9.543 -10.083 -14.110
  361    H    ARG  51           H        ARG  51  12.543 -12.170 -12.764
  362    HA   ARG  51           HA       ARG  51  14.672 -10.215 -13.337
  363    HB2  ARG  51          1HB       ARG  51  16.222 -11.967 -12.852
  364    HB3  ARG  51          2HB       ARG  51  14.995 -11.880 -11.590
  365    HG2  ARG  51          1HG       ARG  51  13.825 -13.849 -12.584
  366    HG3  ARG  51          2HG       ARG  51  15.026 -13.903 -13.881
  367    HD2  ARG  51          1HD       ARG  51  15.626 -15.563 -12.268
  368    HD3  ARG  51          2HD       ARG  51  16.821 -14.278 -12.205
  369    HE   ARG  51           HE       ARG  51  16.158 -13.723 -10.043
  370   HH11  ARG  51          1HH1      ARG  51  13.823 -16.040 -11.265
  371   HH12  ARG  51          2HH1      ARG  51  13.098 -16.264  -9.697
  372   HH21  ARG  51          1HH2      ARG  51  15.182 -14.059  -8.084
  373   HH22  ARG  51          2HH2      ARG  51  13.854 -15.172  -7.949
  374    H    VAL  52           H        VAL  52  12.596 -11.646 -15.439
  375    HA   VAL  52           HA       VAL  52  14.624 -11.572 -17.647
  376    HB   VAL  52           HB       VAL  52  13.306 -13.458 -18.733
  377   HG11  VAL  52          1HG1      VAL  52  15.618 -13.710 -17.881
  378   HG12  VAL  52          2HG1      VAL  52  14.980 -14.159 -16.285
  379   HG13  VAL  52          3HG1      VAL  52  14.676 -15.199 -17.692
  380   HG21  VAL  52          1HG2      VAL  52  12.467 -14.127 -15.896
  381   HG22  VAL  52          2HG2      VAL  52  11.404 -13.543 -17.195
  382   HG23  VAL  52          3HG2      VAL  52  12.218 -15.105 -17.360
  383    H    THR  53           H        THR  53  11.257 -11.193 -16.650
  384    HA   THR  53           HA       THR  53  10.618 -10.009 -19.293
  385    HB   THR  53           HB       THR  53   8.267 -10.172 -18.641
  386    HG1  THR  53          1HG       THR  53   9.290 -11.503 -16.355
  387   HG21  THR  53          1HG2      THR  53   8.040 -12.628 -18.695
  388   HG22  THR  53          2HG2      THR  53   9.783 -12.801 -18.390
  389   HG23  THR  53          3HG2      THR  53   9.221 -12.035 -19.881
  390    H    GLY  54           H        GLY  54  11.235  -9.244 -15.995
  391    HA2  GLY  54          1HA       GLY  54  11.433  -7.294 -14.878
  392    HA3  GLY  54          2HA       GLY  54  11.194  -6.443 -16.407
  393    H    GLN  55           H        GLN  55   8.535  -8.467 -15.743
  394    HA   GLN  55           HA       GLN  55   6.711  -6.290 -15.086
  395    HB2  GLN  55          1HB       GLN  55   6.357  -9.320 -15.130
  396    HB3  GLN  55          2HB       GLN  55   5.045  -8.165 -14.931
  397    HG2  GLN  55          1HG       GLN  55   6.834  -8.377 -17.397
  398    HG3  GLN  55          2HG       GLN  55   5.223  -9.055 -17.243
  399   HE21  GLN  55          1HE2      GLN  55   5.706  -7.348 -19.358
  400   HE22  GLN  55          2HE2      GLN  55   4.866  -5.832 -19.063
  401    H    HIS  56           H        HIS  56   5.270  -6.363 -13.122
  402    HA   HIS  56           HA       HIS  56   6.888  -6.782 -10.710
  403    HB2  HIS  56          1HB       HIS  56   5.158  -5.727  -9.491
  404    HB3  HIS  56          2HB       HIS  56   5.469  -4.797 -10.951
  405    HD2  HIS  56          2HD       HIS  56   3.366  -4.206 -12.397
  406    HE1  HIS  56          1HE       HIS  56   0.549  -6.861 -10.621
  407    HE2  HIS  56          2HE       HIS  56   0.831  -4.935 -12.240
  408    H    GLN  57           H        GLN  57   6.188  -7.962  -8.845
  409    HA   GLN  57           HA       GLN  57   5.530 -10.694  -9.595
  410    HB2  GLN  57          1HB       GLN  57   6.315  -9.441  -6.945
  411    HB3  GLN  57          2HB       GLN  57   6.098 -11.177  -7.214
  412    HG2  GLN  57          1HG       GLN  57   7.886 -11.165  -8.925
  413    HG3  GLN  57          2HG       GLN  57   8.148  -9.447  -8.647
  414   HE21  GLN  57          1HE2      GLN  57  10.451 -10.231  -8.156
  415   HE22  GLN  57          2HE2      GLN  57  10.735 -10.808  -6.518
  416    H    GLY  58           H        GLY  58   3.267  -8.493  -9.371
  417    HA2  GLY  58          1HA       GLY  58   0.971  -8.809  -9.171
  418    HA3  GLY  58          2HA       GLY  58   1.222 -10.312  -8.288
  419    H    TYR  59           H        TYR  59   3.126  -7.983  -6.799
  420    HA   TYR  59           HA       TYR  59   1.021  -6.801  -5.120
  421    HB2  TYR  59          1HB       TYR  59   1.921  -7.570  -3.050
  422    HB3  TYR  59          2HB       TYR  59   1.551  -8.965  -4.041
  423    HD1  TYR  59          1HD       TYR  59   4.174  -7.090  -2.308
  424    HD2  TYR  59          2HD       TYR  59   3.413 -10.284  -5.112
  425    HE1  TYR  59          1HE       TYR  59   6.481  -7.963  -1.955
  426    HE2  TYR  59          2HE       TYR  59   5.739 -11.112  -4.800
  427    HH   TYR  59           HH       TYR  59   7.764 -10.746  -3.807
  428    H    GLY  60           H        GLY  60   1.797  -5.147  -3.697
  429    HA2  GLY  60          1HA       GLY  60   4.458  -3.945  -4.194
  430    HA3  GLY  60          2HA       GLY  60   3.029  -3.028  -4.681
  431    H    PHE  61           H        PHE  61   4.362  -1.662  -3.076
  432    HA   PHE  61           HA       PHE  61   2.895  -1.679  -0.509
  433    HB2  PHE  61          1HB       PHE  61   5.882  -1.195  -0.740
  434    HB3  PHE  61          2HB       PHE  61   4.935  -1.135   0.715
  435    HD1  PHE  61          1HD       PHE  61   6.399  -3.412  -1.827
  436    HD2  PHE  61          2HD       PHE  61   4.418  -3.105   1.985
  437    HE1  PHE  61          1HE       PHE  61   7.064  -5.744  -1.300
  438    HE2  PHE  61          2HE       PHE  61   5.100  -5.438   2.526
  439    HZ   PHE  61           HZ       PHE  61   6.415  -6.762   0.880
  440    H    VAL  62           H        VAL  62   2.707   0.349   0.485
  441    HA   VAL  62           HA       VAL  62   3.722   2.751  -0.971
  442    HB   VAL  62           HB       VAL  62   0.878   2.591   0.095
  443   HG11  VAL  62          1HG1      VAL  62   2.323   4.623  -1.646
  444   HG12  VAL  62          2HG1      VAL  62   0.622   4.684  -1.156
  445   HG13  VAL  62          3HG1      VAL  62   1.874   4.839   0.066
  446   HG21  VAL  62          1HG2      VAL  62   0.175   2.643  -2.305
  447   HG22  VAL  62          2HG2      VAL  62   1.856   2.289  -2.763
  448   HG23  VAL  62          3HG2      VAL  62   0.913   1.117  -1.820
  449    H    GLU  63           H        GLU  63   4.750   4.100   0.360
  450    HA   GLU  63           HA       GLU  63   4.524   3.697   3.305
  451    HB2  GLU  63          1HB       GLU  63   6.711   3.378   2.236
  452    HB3  GLU  63          2HB       GLU  63   6.638   5.048   1.637
  453    HG2  GLU  63          1HG       GLU  63   6.605   5.918   3.923
  454    HG3  GLU  63          2HG       GLU  63   6.595   4.286   4.587
  455    H    PHE  64           H        PHE  64   3.492   5.115   4.497
  456    HA   PHE  64           HA       PHE  64   2.918   7.844   3.492
  457    HB2  PHE  64          1HB       PHE  64   1.704   6.150   5.699
  458    HB3  PHE  64          2HB       PHE  64   1.338   7.849   5.461
  459    HD1  PHE  64          1HD       PHE  64   0.145   8.670   3.530
  460    HD2  PHE  64          2HD       PHE  64   0.922   4.463   4.018
  461    HE1  PHE  64          1HE       PHE  64  -1.534   8.148   1.757
  462    HE2  PHE  64          2HE       PHE  64  -0.766   3.944   2.267
  463    HZ   PHE  64           HZ       PHE  64  -2.024   5.808   1.172
  464    H    LEU  65           H        LEU  65   3.104   9.639   4.915
  465    HA   LEU  65           HA       LEU  65   5.581   9.844   6.281
  466    HB2  LEU  65          1HB       LEU  65   4.057  11.669   5.245
  467    HB3  LEU  65          2HB       LEU  65   3.143  11.584   6.757
  468    HG   LEU  65           HG       LEU  65   5.347  12.115   7.964
  469   HD11  LEU  65          1HD1      LEU  65   6.922  11.592   6.125
  470   HD12  LEU  65          2HD1      LEU  65   7.057  13.289   6.599
  471   HD13  LEU  65          3HD1      LEU  65   6.173  12.854   5.119
  472   HD21  LEU  65          1HD2      LEU  65   4.218  14.162   6.000
  473   HD22  LEU  65          2HD2      LEU  65   5.159  14.529   7.467
  474   HD23  LEU  65          3HD2      LEU  65   3.560  13.784   7.608
  475    H    SER  66           H        SER  66   2.382   8.973   7.522
  476    HA   SER  66           HA       SER  66   3.545   8.361  10.188
  477    HB2  SER  66          1HB       SER  66   0.972   9.933   9.869
  478    HB3  SER  66          2HB       SER  66   1.822   9.541  11.363
  479    HG   SER  66           HG       SER  66   3.549  10.876  10.692
  480    H    GLU  67           H        GLU  67   2.280   6.951  11.481
  481    HA   GLU  67           HA       GLU  67   1.273   4.704  10.039
  482    HB2  GLU  67          1HB       GLU  67   2.448   4.545  12.133
  483    HB3  GLU  67          2HB       GLU  67   1.201   5.483  12.972
  484    HG2  GLU  67          1HG       GLU  67  -0.419   3.691  12.702
  485    HG3  GLU  67          2HG       GLU  67   0.663   2.813  11.620
  486    H    GLU  68           H        GLU  68  -0.474   7.315  11.754
  487    HA   GLU  68           HA       GLU  68  -3.100   6.203  11.456
  488    HB2  GLU  68          1HB       GLU  68  -3.850   8.569  11.796
  489    HB3  GLU  68          2HB       GLU  68  -2.829   7.903  13.057
  490    HG2  GLU  68          1HG       GLU  68  -1.424   9.445  10.897
  491    HG3  GLU  68          2HG       GLU  68  -2.483  10.360  11.953
  492    H    ASP  69           H        ASP  69  -1.079   7.844   9.111
  493    HA   ASP  69           HA       ASP  69  -3.289   8.285   7.202
  494    HB2  ASP  69          1HB       ASP  69  -0.273   8.579   6.995
  495    HB3  ASP  69          2HB       ASP  69  -1.374   8.882   5.668
  496    H    ALA  70           H        ALA  70  -0.830   5.802   7.870
  497    HA   ALA  70           HA       ALA  70  -1.372   4.244   5.475
  498    HB1  ALA  70          1HB       ALA  70   0.750   4.120   6.760
  499    HB2  ALA  70          2HB       ALA  70  -0.121   3.459   8.156
  500    HB3  ALA  70          3HB       ALA  70  -0.034   2.533   6.652
  501    H    ASP  71           H        ASP  71  -2.510   4.108   8.887
  502    HA   ASP  71           HA       ASP  71  -4.301   1.931   8.669
  503    HB2  ASP  71          1HB       ASP  71  -3.582   3.026  10.765
  504    HB3  ASP  71          2HB       ASP  71  -4.521   4.459  10.344
  505    H    TYR  72           H        TYR  72  -4.782   5.328   7.696
  506    HA   TYR  72           HA       TYR  72  -7.597   5.003   7.067
  507    HB2  TYR  72          1HB       TYR  72  -6.374   7.174   7.595
  508    HB3  TYR  72          2HB       TYR  72  -5.718   7.114   5.964
  509    HD1  TYR  72          1HD       TYR  72  -8.586   7.930   8.041
  510    HD2  TYR  72          2HD       TYR  72  -7.380   7.100   3.985
  511    HE1  TYR  72          1HE       TYR  72 -10.677   8.987   7.201
  512    HE2  TYR  72          2HE       TYR  72  -9.461   8.181   3.145
  513    HH   TYR  72           HH       TYR  72 -11.916   9.562   5.361
  514    H    ALA  73           H        ALA  73  -4.563   4.625   5.151
  515    HA   ALA  73           HA       ALA  73  -5.933   4.293   2.613
  516    HB1  ALA  73          1HB       ALA  73  -3.558   4.953   2.845
  517    HB2  ALA  73          2HB       ALA  73  -3.176   3.358   3.525
  518    HB3  ALA  73          3HB       ALA  73  -3.762   3.495   1.852
  519    H    ILE  74           H        ILE  74  -4.916   2.042   5.191
  520    HA   ILE  74           HA       ILE  74  -5.800  -0.381   3.926
  521    HB   ILE  74           HB       ILE  74  -5.606   0.368   6.874
  522   HG12  ILE  74          1HG1      ILE  74  -3.668  -1.279   5.198
  523   HG13  ILE  74          2HG1      ILE  74  -3.493   0.461   5.404
  524   HG21  ILE  74          1HG2      ILE  74  -5.938  -2.349   5.527
  525   HG22  ILE  74          2HG2      ILE  74  -5.509  -2.135   7.239
  526   HG23  ILE  74          3HG2      ILE  74  -7.067  -1.580   6.659
  527   HD11  ILE  74          1HD1      ILE  74  -3.423  -1.547   7.679
  528   HD12  ILE  74          2HD1      ILE  74  -2.045  -0.748   6.913
  529   HD13  ILE  74          3HD1      ILE  74  -3.224   0.219   7.808
  530    H    LYS  75           H        LYS  75  -7.577   2.124   5.726
  531    HA   LYS  75           HA       LYS  75 -10.069   0.673   5.886
  532    HB2  LYS  75          1HB       LYS  75  -9.489   2.516   7.395
  533    HB3  LYS  75          2HB       LYS  75  -9.510   3.664   6.053
  534    HG2  LYS  75          1HG       LYS  75 -11.888   3.304   5.685
  535    HG3  LYS  75          2HG       LYS  75 -11.907   2.028   6.918
  536    HD2  LYS  75          1HD       LYS  75 -11.287   3.712   8.654
  537    HD3  LYS  75          2HD       LYS  75 -11.182   4.956   7.403
  538    HE2  LYS  75          1HE       LYS  75 -13.276   5.253   8.505
  539    HE3  LYS  75          2HE       LYS  75 -13.604   4.635   6.884
  540    HZ1  LYS  75          1HZ       LYS  75 -13.595   2.993   9.369
  541    HZ2  LYS  75          2HZ       LYS  75 -13.940   2.426   7.873
  542    HZ3  LYS  75          3HZ       LYS  75 -14.931   3.503   8.588
  543    H    ILE  76           H        ILE  76  -8.853   3.055   3.454
  544    HA   ILE  76           HA       ILE  76 -11.369   2.745   1.972
  545    HB   ILE  76           HB       ILE  76 -10.508   4.457   0.483
  546   HG12  ILE  76          1HG1      ILE  76  -8.195   4.958   2.374
  547   HG13  ILE  76          2HG1      ILE  76  -7.994   3.956   0.958
  548   HG21  ILE  76          1HG2      ILE  76 -10.798   6.282   2.084
  549   HG22  ILE  76          2HG2      ILE  76 -11.849   4.942   2.553
  550   HG23  ILE  76          3HG2      ILE  76 -10.329   5.231   3.432
  551   HD11  ILE  76          1HD1      ILE  76  -8.791   6.872   1.051
  552   HD12  ILE  76          2HD1      ILE  76  -7.328   6.152   0.351
  553   HD13  ILE  76          3HD1      ILE  76  -8.890   5.881  -0.430
  554    H    MET  77           H        MET  77  -7.978   1.717   1.374
  555    HA   MET  77           HA       MET  77  -8.686   1.003  -1.387
  556    HB2  MET  77          1HB       MET  77  -6.093   1.060   0.088
  557    HB3  MET  77          2HB       MET  77  -6.219   0.470  -1.561
  558    HG2  MET  77          1HG       MET  77  -7.212   3.223  -0.800
  559    HG3  MET  77          2HG       MET  77  -5.540   2.926  -1.198
  560    HE1  MET  77          1HE       MET  77  -5.328   4.418  -3.581
  561    HE2  MET  77          2HE       MET  77  -6.922   4.834  -4.245
  562    HE3  MET  77          3HE       MET  77  -6.619   5.041  -2.515
  563    H    ASP  78           H        ASP  78  -9.252  -0.658   1.277
  564    HA   ASP  78           HA       ASP  78  -8.191  -3.248   0.353
  565    HB2  ASP  78          1HB       ASP  78  -8.060  -2.670   2.742
  566    HB3  ASP  78          2HB       ASP  78  -9.829  -2.629   2.830
  567    H    MET  79           H        MET  79  -9.251  -4.837  -0.590
  568    HA   MET  79           HA       MET  79 -10.655  -5.809  -1.971
  569    HB2  MET  79          1HB       MET  79 -12.876  -4.977  -0.088
  570    HB3  MET  79          2HB       MET  79 -12.981  -6.211  -1.341
  571    HG2  MET  79          1HG       MET  79 -11.232  -6.266   1.133
  572    HG3  MET  79          2HG       MET  79 -12.631  -7.269   0.801
  573    HE1  MET  79          1HE       MET  79 -12.685  -9.222  -1.016
  574    HE2  MET  79          2HE       MET  79 -12.072  -8.168  -2.313
  575    HE3  MET  79          3HE       MET  79 -11.280  -9.722  -1.982
  576    H    ILE  80           H        ILE  80 -10.119  -2.855  -2.306
  577    HA   ILE  80           HA       ILE  80 -12.190  -1.973  -4.173
  578    HB   ILE  80           HB       ILE  80  -9.553  -0.986  -3.179
  579   HG12  ILE  80          1HG1      ILE  80 -12.300   0.180  -3.721
  580   HG13  ILE  80          2HG1      ILE  80 -11.527  -0.146  -2.171
  581   HG21  ILE  80          1HG2      ILE  80  -9.160   0.628  -4.881
  582   HG22  ILE  80          2HG2      ILE  80  -9.037  -0.974  -5.554
  583   HG23  ILE  80          3HG2      ILE  80 -10.507  -0.005  -5.874
  584   HD11  ILE  80          1HD1      ILE  80 -11.487   2.224  -2.498
  585   HD12  ILE  80          2HD1      ILE  80  -9.826   1.683  -2.802
  586   HD13  ILE  80          3HD1      ILE  80 -10.895   2.074  -4.157
  587    H    LYS  81           H        LYS  81 -12.006  -1.950  -6.443
  588    HA   LYS  81           HA       LYS  81 -10.395  -4.209  -7.553
  589    HB2  LYS  81          1HB       LYS  81 -13.053  -3.038  -8.404
  590    HB3  LYS  81          2HB       LYS  81 -12.173  -4.314  -9.265
  591    HG2  LYS  81          1HG       LYS  81 -12.249  -5.685  -7.105
  592    HG3  LYS  81          2HG       LYS  81 -13.336  -4.456  -6.452
  593    HD2  LYS  81          1HD       LYS  81 -14.763  -6.157  -7.231
  594    HD3  LYS  81          2HD       LYS  81 -14.845  -4.902  -8.476
  595    HE2  LYS  81          1HE       LYS  81 -13.074  -6.204  -9.765
  596    HE3  LYS  81          2HE       LYS  81 -13.206  -7.476  -8.546
  597    HZ1  LYS  81          1HZ       LYS  81 -15.445  -6.550 -10.270
  598    HZ2  LYS  81          2HZ       LYS  81 -15.553  -7.728  -9.145
  599    HZ3  LYS  81          3HZ       LYS  81 -14.621  -7.944 -10.466
  600    H    LEU  82           H        LEU  82  -8.612  -2.641  -7.594
  601    HA   LEU  82           HA       LEU  82  -8.470  -0.491  -9.479
  602    HB2  LEU  82          1HB       LEU  82  -6.865  -0.921  -7.626
  603    HB3  LEU  82          2HB       LEU  82  -6.291  -2.368  -8.451
  604    HG   LEU  82           HG       LEU  82  -5.341  -1.036 -10.256
  605   HD11  LEU  82          1HD1      LEU  82  -6.890   0.827 -10.467
  606   HD12  LEU  82          2HD1      LEU  82  -5.306   1.477 -10.068
  607   HD13  LEU  82          3HD1      LEU  82  -6.547   1.358  -8.805
  608   HD21  LEU  82          1HD2      LEU  82  -4.672   0.135  -7.517
  609   HD22  LEU  82          2HD2      LEU  82  -3.629   0.177  -8.951
  610   HD23  LEU  82          3HD2      LEU  82  -4.017  -1.374  -8.188
  611    H    TYR  83           H        TYR  83  -8.284  -0.493 -11.734
  612    HA   TYR  83           HA       TYR  83  -8.929  -1.371 -13.730
  613    HB2  TYR  83          1HB       TYR  83  -6.539  -3.156 -13.206
  614    HB3  TYR  83          2HB       TYR  83  -7.236  -2.801 -14.777
  615    HD1  TYR  83          1HD       TYR  83  -7.489  -0.204 -15.368
  616    HD2  TYR  83          2HD       TYR  83  -4.664  -1.891 -12.579
  617    HE1  TYR  83          1HE       TYR  83  -5.992   1.755 -15.702
  618    HE2  TYR  83          2HE       TYR  83  -3.157   0.060 -12.935
  619    HH   TYR  83           HH       TYR  83  -4.005   2.747 -15.151
  620    H    GLY  84           H        GLY  84 -10.513  -2.744 -11.603
  621    HA2  GLY  84          1HA       GLY  84 -12.259  -4.234 -11.753
  622    HA3  GLY  84          2HA       GLY  84 -11.707  -4.734 -13.347
  623    H    LYS  85           H        LYS  85  -9.693  -4.970 -10.437
  624    HA   LYS  85           HA       LYS  85  -9.927  -7.892 -10.216
  625    HB2  LYS  85          1HB       LYS  85  -8.240  -7.373 -11.947
  626    HB3  LYS  85          2HB       LYS  85  -7.342  -6.379 -10.801
  627    HG2  LYS  85          1HG       LYS  85  -6.848  -8.309  -9.406
  628    HG3  LYS  85          2HG       LYS  85  -7.904  -9.353 -10.370
  629    HD2  LYS  85          1HD       LYS  85  -5.468  -7.917 -11.513
  630    HD3  LYS  85          2HD       LYS  85  -5.400  -9.552 -10.843
  631    HE2  LYS  85          1HE       LYS  85  -6.930 -10.416 -12.488
  632    HE3  LYS  85          2HE       LYS  85  -7.339  -8.801 -13.071
  633    HZ1  LYS  85          1HZ       LYS  85  -5.747  -9.959 -14.518
  634    HZ2  LYS  85          2HZ       LYS  85  -4.628  -9.973 -13.327
  635    HZ3  LYS  85          3HZ       LYS  85  -5.154  -8.544 -13.971
  636    HA   PRO  86           HA       PRO  86 -10.036  -5.989  -6.211
  637    HB2  PRO  86          1HB       PRO  86 -10.398  -8.167  -4.574
  638    HB3  PRO  86          2HB       PRO  86 -11.656  -7.457  -5.635
  639    HG2  PRO  86          1HG       PRO  86  -9.863  -9.832  -6.197
  640    HG3  PRO  86          2HG       PRO  86 -11.634  -9.693  -6.443
  641    HD2  PRO  86          1HD       PRO  86  -9.868  -9.340  -8.476
  642    HD3  PRO  86          2HD       PRO  86 -11.338  -8.313  -8.372
  643    H    ILE  87           H        ILE  87  -8.566  -5.149  -4.933
  644    HA   ILE  87           HA       ILE  87  -6.014  -6.578  -4.400
  645    HB   ILE  87           HB       ILE  87  -5.094  -4.383  -3.777
  646   HG12  ILE  87          1HG1      ILE  87  -7.434  -3.059  -5.176
  647   HG13  ILE  87          2HG1      ILE  87  -7.430  -3.266  -3.423
  648   HG21  ILE  87          1HG2      ILE  87  -6.180  -4.653  -6.617
  649   HG22  ILE  87          2HG2      ILE  87  -4.821  -3.627  -6.133
  650   HG23  ILE  87          3HG2      ILE  87  -4.700  -5.383  -5.965
  651   HD11  ILE  87          1HD1      ILE  87  -5.343  -1.727  -5.027
  652   HD12  ILE  87          2HD1      ILE  87  -6.640  -1.042  -4.035
  653   HD13  ILE  87          3HD1      ILE  87  -5.338  -1.962  -3.263
  654    H    ARG  88           H        ARG  88  -5.178  -6.827  -2.407
  655    HA   ARG  88           HA       ARG  88  -6.995  -6.415  -0.049
  656    HB2  ARG  88          1HB       ARG  88  -6.558  -8.792  -0.771
  657    HB3  ARG  88          2HB       ARG  88  -4.838  -8.516  -0.511
  658    HG2  ARG  88          1HG       ARG  88  -5.596  -9.657   1.404
  659    HG3  ARG  88          2HG       ARG  88  -5.389  -7.987   1.927
  660    HD2  ARG  88          1HD       ARG  88  -7.898  -7.668   1.609
  661    HD3  ARG  88          2HD       ARG  88  -8.010  -9.370   1.187
  662    HE   ARG  88           HE       ARG  88  -7.661  -9.988   3.412
  663   HH11  ARG  88          1HH1      ARG  88  -7.458  -6.479   3.227
  664   HH12  ARG  88          2HH1      ARG  88  -7.026  -6.334   4.903
  665   HH21  ARG  88          1HH2      ARG  88  -7.351  -9.693   5.592
  666   HH22  ARG  88          2HH2      ARG  88  -7.138  -8.089   6.232
  667    H    VAL  89           H        VAL  89  -6.278  -5.159   1.576
  668    HA   VAL  89           HA       VAL  89  -3.443  -4.224   1.515
  669    HB   VAL  89           HB       VAL  89  -5.855  -2.456   2.012
  670   HG11  VAL  89          1HG1      VAL  89  -3.746  -1.649   3.053
  671   HG12  VAL  89          2HG1      VAL  89  -2.930  -1.762   1.487
  672   HG13  VAL  89          3HG1      VAL  89  -4.262  -0.609   1.727
  673   HG21  VAL  89          1HG2      VAL  89  -4.126  -2.792  -0.476
  674   HG22  VAL  89          2HG2      VAL  89  -5.867  -3.116  -0.358
  675   HG23  VAL  89          3HG2      VAL  89  -5.272  -1.461  -0.227
  676    H    ASN  90           H        ASN  90  -2.360  -4.100   3.353
  677    HA   ASN  90           HA       ASN  90  -3.580  -3.658   5.949
  678    HB2  ASN  90          1HB       ASN  90  -2.888  -5.712   7.027
  679    HB3  ASN  90          2HB       ASN  90  -3.945  -6.110   5.692
  680   HD21  ASN  90          1HD2      ASN  90  -2.603  -8.177   6.618
  681   HD22  ASN  90          2HD2      ASN  90  -1.247  -8.576   5.572
  682    H    LYS  91           H        LYS  91  -1.620  -4.028   7.689
  683    HA   LYS  91           HA       LYS  91   0.403  -2.070   6.983
  684    HB2  LYS  91          1HB       LYS  91   0.310  -3.990   9.350
  685    HB3  LYS  91          2HB       LYS  91   1.333  -2.573   9.229
  686    HG2  LYS  91          1HG       LYS  91  -1.716  -2.446   9.208
  687    HG3  LYS  91          2HG       LYS  91  -0.777  -2.419  10.676
  688    HD2  LYS  91          1HD       LYS  91  -0.355  -0.391   8.438
  689    HD3  LYS  91          2HD       LYS  91  -1.538  -0.166   9.718
  690    HE2  LYS  91          1HE       LYS  91   1.480  -0.471  10.100
  691    HE3  LYS  91          2HE       LYS  91   0.572   1.037  10.143
  692    HZ1  LYS  91          1HZ       LYS  91   0.889   0.341  12.380
  693    HZ2  LYS  91          2HZ       LYS  91   0.357  -1.181  12.097
  694    HZ3  LYS  91          3HZ       LYS  91  -0.685   0.084  12.059
  695    H    ALA  92           H        ALA  92   2.509  -2.311   6.349
  696    HA   ALA  92           HA       ALA  92   3.454  -4.864   5.349
  697    HB1  ALA  92          1HB       ALA  92   4.927  -2.236   5.761
  698    HB2  ALA  92          2HB       ALA  92   5.434  -3.583   4.721
  699    HB3  ALA  92          3HB       ALA  92   3.968  -2.665   4.322
  700    H    SER  93           H        SER  93   3.407  -3.638   8.518
  701    HA   SER  93           HA       SER  93   5.586  -5.454   9.437
  702    HB2  SER  93          1HB       SER  93   5.693  -4.038  11.432
  703    HB3  SER  93          2HB       SER  93   5.994  -3.110   9.960
  704    HG   SER  93           HG       SER  93   4.533  -2.174  11.550
  705    H    ALA  94           H        ALA  94   2.464  -5.906   8.937
  706    HA   ALA  94           HA       ALA  94   1.125  -6.084  11.358
  707    HB1  ALA  94          1HB       ALA  94   0.749  -7.809   8.877
  708    HB2  ALA  94          2HB       ALA  94  -0.443  -7.574  10.173
  709    HB3  ALA  94          3HB       ALA  94   0.035  -6.207   9.155
  710    H    HIS  95           H        HIS  95   0.781  -7.506  12.941
  711    HA   HIS  95           HA       HIS  95   1.654 -10.294  12.877
  712    HB2  HIS  95          1HB       HIS  95   3.213 -10.206  14.702
  713    HB3  HIS  95          2HB       HIS  95   3.779  -9.124  13.442
  714    HD2  HIS  95          2HD       HIS  95   2.976  -6.375  13.930
  715    HE1  HIS  95          1HE       HIS  95   3.301  -6.830  18.159
  716    HE2  HIS  95          2HE       HIS  95   3.146  -5.142  16.257
  717    H    ASN  96           H        ASN  96   0.334  -7.604  14.810
  718    HA   ASN  96           HA       ASN  96  -0.865  -9.396  16.774
  719    HB2  ASN  96          1HB       ASN  96  -1.364  -7.356  17.967
  720    HB3  ASN  96          2HB       ASN  96   0.301  -7.319  17.422
  721   HD21  ASN  96          1HD2      ASN  96  -2.401  -5.415  17.723
  722   HD22  ASN  96          2HD2      ASN  96  -2.045  -4.261  16.436
  723    H    LYS  97           H        LYS  97  -3.041  -9.465  17.355
  724    HA   LYS  97           HA       LYS  97  -5.077  -8.685  15.292
  725    HB2  LYS  97          1HB       LYS  97  -4.811 -11.364  16.719
  726    HB3  LYS  97          2HB       LYS  97  -6.151 -10.890  15.670
  727    HG2  LYS  97          1HG       LYS  97  -4.585 -10.649  13.754
  728    HG3  LYS  97          2HG       LYS  97  -3.246 -11.143  14.790
  729    HD2  LYS  97          1HD       LYS  97  -3.939 -13.042  13.475
  730    HD3  LYS  97          2HD       LYS  97  -4.276 -13.331  15.176
  731    HE2  LYS  97          1HE       LYS  97  -6.116 -14.180  13.898
  732    HE3  LYS  97          2HE       LYS  97  -6.681 -12.775  14.797
  733    HZ1  LYS  97          1HZ       LYS  97  -7.441 -12.749  12.483
  734    HZ2  LYS  97          2HZ       LYS  97  -5.912 -12.771  11.922
  735    HZ3  LYS  97          3HZ       LYS  97  -6.468 -11.468  12.739
  736    H    ASN  98           H        ASN  98  -4.293  -7.721  18.171
  737    HA   ASN  98           HA       ASN  98  -6.600  -8.332  19.810
  738    HB2  ASN  98          1HB       ASN  98  -5.554  -6.845  21.427
  739    HB3  ASN  98          2HB       ASN  98  -4.359  -7.947  20.761
  740   HD21  ASN  98          1HD2      ASN  98  -4.896  -4.703  21.549
  741   HD22  ASN  98          2HD2      ASN  98  -3.649  -4.019  20.510
  742    H    LEU  99           H        LEU  99  -8.308  -7.082  20.418
  743    HA   LEU  99           HA       LEU  99  -8.926  -4.617  18.864
  744    HB2  LEU  99          1HB       LEU  99 -10.591  -6.430  18.888
  745    HB3  LEU  99          2HB       LEU  99 -10.646  -6.376  20.650
  746    HG   LEU  99           HG       LEU  99 -11.569  -4.068  20.560
  747   HD11  LEU  99          1HD1      LEU  99 -10.664  -3.260  18.422
  748   HD12  LEU  99          2HD1      LEU  99 -12.427  -3.192  18.393
  749   HD13  LEU  99          3HD1      LEU  99 -11.582  -4.503  17.539
  750   HD21  LEU  99          1HD2      LEU  99 -13.089  -6.080  18.852
  751   HD22  LEU  99          2HD2      LEU  99 -13.787  -4.688  19.713
  752   HD23  LEU  99          3HD2      LEU  99 -13.070  -6.023  20.629
  753    H    SER 100           H        SER 100  -8.637  -5.783  22.212
  754    HA   SER 100           HA       SER 100  -8.282  -4.817  24.211
  755    HB2  SER 100          1HB       SER 100  -6.885  -2.698  22.554
  756    HB3  SER 100          2HB       SER 100  -6.679  -2.945  24.294
  757    HG   SER 100           HG       SER 100  -5.844  -4.981  23.917
  758    H    GLY 101           H        GLY 101  -8.298  -2.594  25.518
  759    HA2  GLY 101          1HA       GLY 101 -10.395  -0.709  24.928
  760    HA3  GLY 101          2HA       GLY 101 -10.959  -1.968  26.032
  761    HA   PRO 102           HA       PRO 102  -8.691   1.523  28.278
  762    HB2  PRO 102          1HB       PRO 102 -10.718   2.474  29.860
  763    HB3  PRO 102          2HB       PRO 102 -10.455   2.999  28.169
  764    HG2  PRO 102          1HG       PRO 102 -12.371   0.869  29.179
  765    HG3  PRO 102          2HG       PRO 102 -12.717   2.226  28.060
  766    HD2  PRO 102          1HD       PRO 102 -12.176  -0.275  27.143
  767    HD3  PRO 102          2HD       PRO 102 -11.569   1.170  26.280
  768    H    SER 103           H        SER 103  -7.724   1.367  30.263
  769    HA   SER 103           HA       SER 103  -8.053  -1.115  31.765
  770    HB2  SER 103          1HB       SER 103  -6.028  -0.322  32.955
  771    HB3  SER 103          2HB       SER 103  -5.842  -0.377  31.195
  772    HG   SER 103           HG       SER 103  -5.029   1.580  32.105
  773    H    SER 104           H        SER 104  -9.480   1.942  32.102
  774    HA   SER 104           HA       SER 104  -9.492   2.236  34.942
  775    HB2  SER 104          1HB       SER 104 -11.451   3.368  32.911
  776    HB3  SER 104          2HB       SER 104 -11.131   3.985  34.543
  777    HG   SER 104           HG       SER 104  -9.978   5.162  32.950
  778    H    GLY 105           H        GLY 105 -11.292   0.026  33.060
  779    HA2  GLY 105          1HA       GLY 105 -13.800  -0.052  34.508
  780    HA3  GLY 105          2HA       GLY 105 -13.185  -1.272  33.397