*HEADER    HYDROLASE                               19-DEC-11   2RSC              
*TITLE     SOLUTION STRUCTURE OF THE BOMBYX MORI LYSOZYME                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LYSOZYME;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE;                                
*COMPND   5 EC: 3.2.1.17;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOMBYX MORI;                                    
*SOURCE   3 ORGANISM_COMMON: SILK MOTH, SILKWORM;                                
*SOURCE   4 ORGANISM_TAXID: 7091;                                                
*SOURCE   5 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: P101129-01                                 
*KEYWDS    LYSOZYME, HYDROLASE                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.SATO, N.TOCHIO, T.AIZAWA                                            
*REVDAT   1   26-DEC-12 2RSC    0                                                


#
#  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 CG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=14,20,18,19, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=20,26,24,25, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,30,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=34,38,42,37, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=32,44,35,36, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=48,53,51,52, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=46,64,49,50, &end
#
#  chirality for residue 5 atoms:  CA CG2 OG1 HB
 &rst iat=68,72,76,71, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=66,78,69,70, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=87,93,91,92, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=80,102,83,84, &end
#
#  chirality for residue 7 atoms:  CA SG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=104,112,107,108, &end
#
#  chirality for residue 8 atoms:  N C HA2 HA3
 &rst iat=114,119,117,118, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=123,128,126,127, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=125,130,134,129, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=121,138,124,125, &end
#
#  chirality for residue 10 atoms:  CA CG1 CG2 HB
 &rst iat=142,146,150,145, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=140,154,143,144, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=156,171,159,160, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=177,183,181,182, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=173,186,176,177, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=190,195,193,194, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=192,197,201,196, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=188,205,191,192, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=209,214,212,213, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=211,217,215,216, &end
#
#  chirality for residue 14 atoms:  CG NE HD2 HD3
 &rst iat=214,220,218,219, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=207,229,210,211, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=235,241,239,240, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=238,244,242,243, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=231,251,234,235, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=253,268,256,257, &end
#
#  chirality for residue 17 atoms:  N C HA2 HA3
 &rst iat=270,275,273,274, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=277,295,280,281, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=299,304,302,303, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=301,307,305,306, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=297,310,300,301, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=316,322,320,321, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=312,325,315,316, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=327,339,330,331, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=343,348,346,347, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=345,350,354,349, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=341,358,344,345, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=362,367,365,366, &end
#
#  chirality for residue 23 atoms:  CB SD HG2 HG3
 &rst iat=364,370,368,369, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=360,375,363,364, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=379,384,382,383, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=381,387,385,386, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=384,390,388,389, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=377,399,380,381, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=403,408,406,407, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=401,413,404,405, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=417,422,420,421, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=415,437,418,419, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=441,445,449,444, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=439,453,442,443, &end
#
#  chirality for residue 28 atoms:  CA SG HB2 HB3
 &rst iat=457,462,460,461, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=455,463,458,459, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=467,472,470,471, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=469,474,478,473, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=465,482,468,469, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=486,490,494,489, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=484,498,487,488, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=502,507,505,506, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=504,510,508,509, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=500,513,503,504, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=517,522,520,521, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=515,530,518,519, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=534,539,537,538, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=536,542,540,541, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=532,545,535,536, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=549,554,552,553, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=547,556,550,551, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=558,567,561,562, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=571,576,574,575, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=573,579,577,578, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=576,582,580,581, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=569,591,572,573, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=595,600,598,599, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=593,603,596,597, &end
#
#  chirality for residue 38 atoms:  CA CG2 OG1 HB
 &rst iat=607,611,615,610, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=605,617,608,609, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=621,626,624,625, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=619,628,622,623, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=632,637,635,636, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=634,640,638,639, &end
#
#  chirality for residue 40 atoms:  CD NZ HE2 HE3
 &rst iat=640,646,644,645, &end
#
#  chirality for residue 40 atoms:  CG CE HD2 HD3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=630,650,633,634, &end
#
#  chirality for residue 41 atoms:  CA CG2 OG1 HB
 &rst iat=654,658,662,657, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=652,664,655,656, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=668,673,671,672, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=666,678,669,670, &end
#
#  chirality for residue 43 atoms:  CA CG2 OG1 HB
 &rst iat=682,686,690,685, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=680,692,683,684, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=696,701,699,700, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=694,706,697,698, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=710,715,713,714, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=712,718,716,717, &end
#
#  chirality for residue 45 atoms:  CG NE HD2 HD3
 &rst iat=715,721,719,720, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=708,730,711,712, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=734,739,737,738, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=732,744,735,736, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=746,751,749,750, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=755,760,758,759, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=753,762,756,757, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=766,771,769,770, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=768,774,772,773, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=774,780,778,779, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=764,784,767,768, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=786,796,789,790, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=798,817,801,802, &end
#
#  chirality for residue 52 atoms:  N C HA2 HA3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=828,833,831,832, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=830,835,839,834, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=826,843,829,830, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=847,852,850,851, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=845,863,848,849, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=867,872,870,871, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=869,875,873,874, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=865,880,868,869, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=884,888,892,887, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=886,895,893,894, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=882,899,885,886, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=903,908,906,907, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=901,913,904,905, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=915,925,918,919, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=929,934,932,933, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=931,937,935,936, &end
#
#  chirality for residue 59 atoms:  CG NE HD2 HD3
 &rst iat=934,940,938,939, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=927,949,930,931, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=953,958,956,957, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=951,970,954,955, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=972,994,975,976, &end
#
#  chirality for residue 62 atoms:  CA SG HB2 HB3
 &rst iat=998,1003,1001,1002, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=996,1004,999,1000, &end
#
#  chirality for residue 63 atoms:  CA OG HB2 HB3
 &rst iat=1008,1013,1011,1012, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1006,1015,1009,1010, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1019,1024,1022,1023, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=1021,1027,1025,1026, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=1027,1033,1031,1032, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=1024,1030,1028,1029, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1017,1037,1020,1021, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=1039,1044,1042,1043, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1046,1054,1049,1050, &end
#
#  chirality for residue 67 atoms:  CA OG HB2 HB3
 &rst iat=1058,1063,1061,1062, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1056,1065,1059,1060, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1077,1071,1075,1076, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1074,1068,1072,1073, &end
#
#  chirality for residue 68 atoms:  CG N HD2 HD3
 &rst iat=1071,1067,1069,1070, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1067,1079,1078,1074, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1081,1086,1084,1085, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1090,1095,1093,1094, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1092,1098,1096,1097, &end
#
#  chirality for residue 70 atoms:  CD NZ HE2 HE3
 &rst iat=1098,1104,1102,1103, &end
#
#  chirality for residue 70 atoms:  CG CE HD2 HD3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1088,1108,1091,1092, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1112,1117,1115,1116, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1110,1120,1113,1114, &end
#
#  chirality for residue 72 atoms:  CA SG HB2 HB3
 &rst iat=1124,1129,1127,1128, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1122,1130,1125,1126, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1134,1139,1137,1138, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1132,1144,1135,1136, &end
#
#  chirality for residue 74 atoms:  CA CG1 CG2 HB
 &rst iat=1148,1152,1156,1151, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1146,1160,1149,1150, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1164,1169,1167,1168, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1166,1172,1170,1171, &end
#
#  chirality for residue 75 atoms:  CD NZ HE2 HE3
 &rst iat=1172,1178,1176,1177, &end
#
#  chirality for residue 75 atoms:  CG CE HD2 HD3
 &rst iat=1169,1175,1173,1174, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1162,1182,1165,1166, &end
#
#  chirality for residue 76 atoms:  CA SG HB2 HB3
 &rst iat=1186,1191,1189,1190, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1184,1192,1187,1188, &end
#
#  chirality for residue 77 atoms:  CA OG HB2 HB3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1194,1203,1197,1198, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1207,1212,1210,1211, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1205,1215,1208,1209, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1219,1224,1222,1223, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1221,1226,1230,1225, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1217,1234,1220,1221, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1238,1243,1241,1242, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1240,1245,1249,1244, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1236,1253,1239,1240, &end
#
#  chirality for residue 81 atoms:  CA CG2 OG1 HB
 &rst iat=1257,1261,1265,1260, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1255,1267,1258,1259, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1271,1276,1274,1275, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1269,1279,1272,1273, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1283,1288,1286,1287, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1281,1291,1284,1285, &end
#
#  chirality for residue 84 atoms:  CA CG2 CG1 HB
 &rst iat=1295,1299,1303,1298, &end
#
#  chirality for residue 84 atoms:  CB CD1 HG12 HG13
 &rst iat=1297,1306,1304,1305, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1293,1310,1296,1297, &end
#
#  chirality for residue 85 atoms:  CA CG2 OG1 HB
 &rst iat=1314,1318,1322,1317, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1312,1324,1315,1316, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1328,1333,1331,1332, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1330,1336,1334,1335, &end
#
#  chirality for residue 86 atoms:  CD NZ HE2 HE3
 &rst iat=1336,1342,1340,1341, &end
#
#  chirality for residue 86 atoms:  CG CE HD2 HD3
 &rst iat=1333,1339,1337,1338, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1326,1346,1329,1330, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1348,1356,1351,1352, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1358,1366,1361,1362, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1370,1375,1373,1374, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1372,1378,1376,1377, &end
#
#  chirality for residue 89 atoms:  CD NZ HE2 HE3
 &rst iat=1378,1384,1382,1383, &end
#
#  chirality for residue 89 atoms:  CG CE HD2 HD3
 &rst iat=1375,1381,1379,1380, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1368,1388,1371,1372, &end
#
#  chirality for residue 90 atoms:  CA SG HB2 HB3
 &rst iat=1392,1397,1395,1396, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1390,1398,1393,1394, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1400,1408,1403,1404, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1412,1417,1415,1416, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1414,1420,1418,1419, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1420,1426,1424,1425, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1417,1423,1421,1422, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1410,1430,1413,1414, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1434,1439,1437,1438, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1436,1442,1440,1441, &end
#
#  chirality for residue 93 atoms:  CD NZ HE2 HE3
 &rst iat=1442,1448,1446,1447, &end
#
#  chirality for residue 93 atoms:  CG CE HD2 HD3
 &rst iat=1439,1445,1443,1444, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1432,1452,1435,1436, &end
#
#  chirality for residue 94 atoms:  CA CG2 CG1 HB
 &rst iat=1456,1460,1464,1459, &end
#
#  chirality for residue 94 atoms:  CB CD1 HG12 HG13
 &rst iat=1458,1467,1465,1466, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1454,1471,1457,1458, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1475,1480,1478,1479, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1473,1492,1476,1477, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1496,1501,1499,1500, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1498,1504,1502,1503, &end
#
#  chirality for residue 96 atoms:  CD NZ HE2 HE3
 &rst iat=1504,1510,1508,1509, &end
#
#  chirality for residue 96 atoms:  CG CE HD2 HD3
 &rst iat=1501,1507,1505,1506, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1494,1514,1497,1498, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1518,1523,1521,1522, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1520,1526,1524,1525, &end
#
#  chirality for residue 97 atoms:  CG NE HD2 HD3
 &rst iat=1523,1529,1527,1528, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1516,1538,1519,1520, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1540,1555,1543,1544, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1559,1564,1562,1563, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1561,1567,1565,1566, &end
#
#  chirality for residue 99 atoms:  CG NE HD2 HD3
 &rst iat=1564,1570,1568,1569, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1557,1579,1560,1561, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1583,1588,1586,1587, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1581,1599,1584,1585, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1603,1608,1606,1607, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1601,1611,1604,1605, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1613,1621,1616,1617, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1625,1630,1628,1629, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1623,1645,1626,1627, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1649,1654,1652,1653, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1647,1666,1650,1651, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1668,1673,1671,1672, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1675,1697,1678,1679, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1701,1706,1704,1705, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1703,1709,1707,1708, &end
#
#  chirality for residue 107 atoms:  CD NZ HE2 HE3
 &rst iat=1709,1715,1713,1714, &end
#
#  chirality for residue 107 atoms:  CG CE HD2 HD3
 &rst iat=1706,1712,1710,1711, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1699,1719,1702,1703, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1723,1728,1726,1727, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1721,1733,1724,1725, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1737,1742,1740,1741, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1735,1750,1738,1739, &end
#
#  chirality for residue 110 atoms:  CA SG HB2 HB3
 &rst iat=1754,1759,1757,1758, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1752,1760,1755,1756, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1764,1769,1767,1768, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1766,1772,1770,1771, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1762,1777,1765,1766, &end
#
#  chirality for residue 112 atoms:  N C HA2 HA3
 &rst iat=1779,1784,1782,1783, &end
#
#  chirality for residue 113 atoms:  CA OG HB2 HB3
 &rst iat=1788,1793,1791,1792, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1786,1795,1789,1790, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1799,1804,1802,1803, &end
#
#  chirality for residue 114 atoms:  CB CD1 CD2 HG
 &rst iat=1801,1806,1810,1805, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1797,1814,1800,1801, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1826,1820,1824,1825, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1823,1817,1821,1822, &end
#
#  chirality for residue 115 atoms:  CG N HD2 HD3
 &rst iat=1820,1816,1818,1819, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1816,1828,1827,1823, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1832,1837,1835,1836, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1830,1840,1833,1834, &end
#
#  chirality for residue 117 atoms:  CA CG2 CG1 HB
 &rst iat=1844,1848,1852,1847, &end
#
#  chirality for residue 117 atoms:  CB CD1 HG12 HG13
 &rst iat=1846,1855,1853,1854, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1842,1859,1845,1846, &end
#
#  chirality for residue 118 atoms:  CA OG HB2 HB3
 &rst iat=1863,1868,1866,1867, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1861,1870,1864,1865, &end
#
#  chirality for residue 119 atoms:  CA OG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1872,1881,1875,1876, &end
#
#  chirality for residue 120 atoms:  CA SG HB2 HB3
 &rst iat=1885,1890,1888,1889, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1883,1891,1886,1887, &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=34,32,30,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=48,46,44,34, &end
#
#  trans-omega constraint for residue 5
 &rst iat=68,66,64,48, &end
#
#  trans-omega constraint for residue 6
 &rst iat=82,80,78,68, &end
#
#  trans-omega constraint for residue 7
 &rst iat=106,104,102,82, &end
#
#  trans-omega constraint for residue 8
 &rst iat=116,114,112,106, &end
#
#  trans-omega constraint for residue 9
 &rst iat=123,121,119,116, &end
#
#  trans-omega constraint for residue 10
 &rst iat=142,140,138,123, &end
#
#  trans-omega constraint for residue 11
 &rst iat=158,156,154,142, &end
#
#  trans-omega constraint for residue 12
 &rst iat=175,173,171,158, &end
#
#  trans-omega constraint for residue 13
 &rst iat=190,188,186,175, &end
#
#  trans-omega constraint for residue 14
 &rst iat=209,207,205,190, &end
#
#  trans-omega constraint for residue 15
 &rst iat=233,231,229,209, &end
#
#  trans-omega constraint for residue 16
 &rst iat=255,253,251,233, &end
#
#  trans-omega constraint for residue 17
 &rst iat=272,270,268,255, &end
#
#  trans-omega constraint for residue 18
 &rst iat=279,277,275,272, &end
#
#  trans-omega constraint for residue 19
 &rst iat=299,297,295,279, &end
#
#  trans-omega constraint for residue 20
 &rst iat=314,312,310,299, &end
#
#  trans-omega constraint for residue 21
 &rst iat=329,327,325,314, &end
#
#  trans-omega constraint for residue 22
 &rst iat=343,341,339,329, &end
#
#  trans-omega constraint for residue 23
 &rst iat=362,360,358,343, &end
#
#  trans-omega constraint for residue 24
 &rst iat=379,377,375,362, &end
#
#  trans-omega constraint for residue 25
 &rst iat=403,401,399,379, &end
#
#  trans-omega constraint for residue 26
 &rst iat=417,415,413,403, &end
#
#  trans-omega constraint for residue 27
 &rst iat=441,439,437,417, &end
#
#  trans-omega constraint for residue 28
 &rst iat=457,455,453,441, &end
#
#  trans-omega constraint for residue 29
 &rst iat=467,465,463,457, &end
#
#  trans-omega constraint for residue 30
 &rst iat=486,484,482,467, &end
#
#  trans-omega constraint for residue 31
 &rst iat=502,500,498,486, &end
#
#  trans-omega constraint for residue 32
 &rst iat=517,515,513,502, &end
#
#  trans-omega constraint for residue 33
 &rst iat=534,532,530,517, &end
#
#  trans-omega constraint for residue 34
 &rst iat=549,547,545,534, &end
#
#  trans-omega constraint for residue 35
 &rst iat=560,558,556,549, &end
#
#  trans-omega constraint for residue 36
 &rst iat=571,569,567,560, &end
#
#  trans-omega constraint for residue 37
 &rst iat=595,593,591,571, &end
#
#  trans-omega constraint for residue 38
 &rst iat=607,605,603,595, &end
#
#  trans-omega constraint for residue 39
 &rst iat=621,619,617,607, &end
#
#  trans-omega constraint for residue 40
 &rst iat=632,630,628,621, &end
#
#  trans-omega constraint for residue 41
 &rst iat=654,652,650,632, &end
#
#  trans-omega constraint for residue 42
 &rst iat=668,666,664,654, &end
#
#  trans-omega constraint for residue 43
 &rst iat=682,680,678,668, &end
#
#  trans-omega constraint for residue 44
 &rst iat=696,694,692,682, &end
#
#  trans-omega constraint for residue 45
 &rst iat=710,708,706,696, &end
#
#  trans-omega constraint for residue 46
 &rst iat=734,732,730,710, &end
#
#  trans-omega constraint for residue 47
 &rst iat=748,746,744,734, &end
#
#  trans-omega constraint for residue 48
 &rst iat=755,753,751,748, &end
#
#  trans-omega constraint for residue 49
 &rst iat=766,764,762,755, &end
#
#  trans-omega constraint for residue 50
 &rst iat=788,786,784,766, &end
#
#  trans-omega constraint for residue 51
 &rst iat=800,798,796,788, &end
#
#  trans-omega constraint for residue 52
 &rst iat=821,819,817,800, &end
#
#  trans-omega constraint for residue 53
 &rst iat=828,826,824,821, &end
#
#  trans-omega constraint for residue 54
 &rst iat=847,845,843,828, &end
#
#  trans-omega constraint for residue 55
 &rst iat=867,865,863,847, &end
#
#  trans-omega constraint for residue 56
 &rst iat=884,882,880,867, &end
#
#  trans-omega constraint for residue 57
 &rst iat=903,901,899,884, &end
#
#  trans-omega constraint for residue 58
 &rst iat=917,915,913,903, &end
#
#  trans-omega constraint for residue 59
 &rst iat=929,927,925,917, &end
#
#  trans-omega constraint for residue 60
 &rst iat=953,951,949,929, &end
#
#  trans-omega constraint for residue 61
 &rst iat=974,972,970,953, &end
#
#  trans-omega constraint for residue 62
 &rst iat=998,996,994,974, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1008,1006,1004,998, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1019,1017,1015,1008, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1041,1039,1037,1019, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1048,1046,1044,1041, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1058,1056,1054,1048, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1077,1067,1065,1058, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1083,1081,1079,1077, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1090,1088,1086,1083, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1112,1110,1108,1090, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1124,1122,1120,1112, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1134,1132,1130,1124, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1148,1146,1144,1134, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1164,1162,1160,1148, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1186,1184,1182,1164, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1196,1194,1192,1186, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1207,1205,1203,1196, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1219,1217,1215,1207, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1238,1236,1234,1219, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1257,1255,1253,1238, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1271,1269,1267,1257, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1283,1281,1279,1271, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1295,1293,1291,1283, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1314,1312,1310,1295, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1328,1326,1324,1314, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1350,1348,1346,1328, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1360,1358,1356,1350, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1370,1368,1366,1360, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1392,1390,1388,1370, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1402,1400,1398,1392, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1412,1410,1408,1402, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1434,1432,1430,1412, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1456,1454,1452,1434, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1475,1473,1471,1456, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1496,1494,1492,1475, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1518,1516,1514,1496, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1542,1540,1538,1518, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1559,1557,1555,1542, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1583,1581,1579,1559, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1603,1601,1599,1583, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1615,1613,1611,1603, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1625,1623,1621,1615, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1649,1647,1645,1625, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1670,1668,1666,1649, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1677,1675,1673,1670, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1701,1699,1697,1677, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1723,1721,1719,1701, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1737,1735,1733,1723, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1754,1752,1750,1737, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1764,1762,1760,1754, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1781,1779,1777,1764, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1788,1786,1784,1781, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1799,1797,1795,1788, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1826,1816,1814,1799, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1832,1830,1828,1826, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1844,1842,1840,1832, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1863,1861,1859,1844, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1874,1872,1870,1863, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1885,1883,1881,1874, &end
#
#   1 GLY  HA2     2 LYS  HN      3.23  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  11, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
#   1 GLY  HA3     2 LYS  HN      3.23  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  11, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   1 GLY  QA      2 LYS  HA      4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=   6,   7,
 &end
#
#   1 GLY  QA      2 LYS  HN      2.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  11, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
 igr1=   6,   7,
 &end
#
#   1 GLY  QA      2 LYS  QB      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=   6,   7,
 igr2=  15,  16,
 &end
#
#   1 GLY  QA     39 SER  QB      3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=   6,   7,
 igr2= 624, 625,
 &end
#
#   2 LYS  HA      2 LYS  QD      4.67  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=  21,  22,
 &end
#
#   2 LYS  HA      2 LYS  QG      3.68  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=  18,  19,
 &end
#
#   2 LYS  HA      3 THR  HB      5.10  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  37, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   2 LYS  HA      3 THR  HN      2.56  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  33, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06,  &end
#
#   2 LYS  HN      2 LYS  QB      3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=  15,  16,
 &end
#
#   2 LYS  HN      2 LYS  QD      5.03  (#SUP  1.00  #QF  0.91)
 &rst
  ixpk= 1, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=  21,  22,
 &end
#
#   2 LYS  HN      2 LYS  QG      4.04  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=  18,  19,
 &end
#
#   2 LYS  HN      3 THR  HA      5.39  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  11,  35, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   2 LYS  HN     82 ASP  HA      4.39  (#SUP  0.26  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat=  11,1272, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   2 LYS  QB      2 LYS  QE      3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=  15,  16,
 igr2=  24,  25,
 &end
#
#   2 LYS  QB      3 THR  HB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  15,  16,
 &end
#
#   2 LYS  QB      3 THR  HN      3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=  15,  16,
 &end
#
#   2 LYS  QB     82 ASP  HA      4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=  15,  16,
 &end
#
#   2 LYS  QB     82 ASP  QB      4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  15,  16,
 igr2=1274,1275,
 &end
#
#   2 LYS  QD      3 THR  HN      5.48  (#SUP  1.00  #QF  0.91)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=  21,  22,
 &end
#
#   2 LYS  QD      4 PHE  QD      4.84  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=  21,  22,
 igr2=  55,  63,
 &end
#
#   2 LYS  QD      4 PHE  QE      4.35  (#SUP  0.98  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  21,  22,
 igr2=  57,  61,
 &end
#
#   2 LYS  QD     82 ASP  HA      3.28  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=  21,  22,
 &end
#
#   2 LYS  QD     82 ASP  HB2     4.24  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  21,  22,
 &end
#
#   2 LYS  QD     82 ASP  HB3     4.24  (#SUP  0.96  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  21,  22,
 &end
#
#   2 LYS  QD     82 ASP  QB      3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  21,  22,
 igr2=1274,1275,
 &end
#
#   2 LYS  QE     38 THR  QG2     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=  24,  25,
 igr2= 612, 613, 614,
 &end
#
#   2 LYS  QE      3 THR  HN      4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  24,  25,
 &end
#
#   2 LYS  QE      4 PHE  QD      4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  24,  25,
 igr2=  55,  63,
 &end
#
#   2 LYS  QE      4 PHE  QE      5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  24,  25,
 igr2=  57,  61,
 &end
#
#   2 LYS  QE     82 ASP  QB      5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=  24,  25,
 igr2=1274,1275,
 &end
#
#   2 LYS  QG      2 LYS  HE2     3.75  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  24, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  18,  19,
 &end
#
#   2 LYS  QG      2 LYS  HE3     3.75  (#SUP  0.98  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  25, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  18,  19,
 &end
#
#   2 LYS  QG      2 LYS  QE      3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  18,  19,
 igr2=  24,  25,
 &end
#
#   2 LYS  QG     38 THR  QG2     4.88  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=  18,  19,
 igr2= 612, 613, 614,
 &end
#
#   2 LYS  QG      3 THR  HN      3.57  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=  18,  19,
 &end
#
#   2 LYS  QG      4 PHE  QD      4.42  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  18,  19,
 igr2=  55,  63,
 &end
#
#   2 LYS  QG      4 PHE  QE      4.81  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  18,  19,
 igr2=  57,  61,
 &end
#
#   2 LYS  QG     82 ASP  HA      4.16  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  18,  19,
 &end
#
#   2 LYS  QG     82 ASP  QB      4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=  18,  19,
 igr2=1274,1275,
 &end
#
#   3 THR  HA     37 ASP  QB      4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 598, 599,
 &end
#
#   3 THR  HA     38 THR  HN      4.17  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=  35, 606, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   3 THR  HA      3 THR  QG2     3.24  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=  39,  40,  41,
 &end
#
#   3 THR  HA      4 PHE  HN      2.75  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  47, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#   3 THR  HA      4 PHE  QD      4.73  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=  55,  63,
 &end
#
#   3 THR  HB     37 ASP  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 598, 599,
 &end
#
#   3 THR  HB      4 PHE  HN      4.12  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  47, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   3 THR  HN      3 THR  HB      3.27  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  37, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   3 THR  HN      3 THR  QG2     4.06  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=  39,  40,  41,
 &end
#
#   3 THR  QG2    35 SER  QB      4.84  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  39,  40,  41,
 igr2= 563, 564,
 &end
#
#   3 THR  QG2    36 ARG  HB2     3.57  (#SUP  0.60  #QF  0.23)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2    37 ASP  HA      3.81  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2    37 ASP  HB2     4.16  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2    37 ASP  HB3     4.16  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2    37 ASP  HN      4.39  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2    37 ASP  QB      3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  39,  40,  41,
 igr2= 598, 599,
 &end
#
#   3 THR  QG2    38 THR  HN      4.64  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  39,  40,  41,
 &end
#
#   3 THR  QG2     4 PHE  HN      3.37  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=  39,  40,  41,
 &end
#
#   4 PHE  HB2    36 ARG  HA      4.52  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 572, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   4 PHE  HB2    36 ARG  HB2     4.34  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 574, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   4 PHE  HB2    36 ARG  HB3     3.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 575, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   4 PHE  HB2    36 ARG  HE      5.50  (#SUP  0.99  #QF  0.37)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 PHE  HB2    36 ARG  QD      4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 580, 581,
 &end
#
#   4 PHE  HB2    38 THR  QG2     5.50  (#SUP  0.96  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 612, 613, 614,
 &end
#
#   4 PHE  HB2     5 THR  HN      3.78  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  67, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   4 PHE  HB2     9 LEU  HA      4.45  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  51, 124, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   4 PHE  HB2     9 LEU  HB2     3.89  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  51, 126, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   4 PHE  HB2     9 LEU  HN      4.49  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   4 PHE  HB2     9 LEU  QD1     4.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 131, 132, 133,
 &end
#
#   4 PHE  HB3    36 ARG  HB3     4.08  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 575, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   4 PHE  HB3     5 THR  HN      3.35  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  67, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   4 PHE  HB3     8 GLY  HA2     5.44  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 117, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   4 PHE  HB3     8 GLY  HA3     4.97  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 118, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   4 PHE  HB3     8 GLY  HN      5.30  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 115, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   4 PHE  HB3     9 LEU  HA      4.14  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  52, 124, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   4 PHE  HB3     9 LEU  HB2     3.74  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 126, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   4 PHE  HB3     9 LEU  HB3     4.78  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  52, 127, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   4 PHE  HB3     9 LEU  HG      5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 PHE  HB3     9 LEU  HN      3.37  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 122, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   4 PHE  HB3     9 LEU  QD1     4.31  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 131, 132, 133,
 &end
#
#   4 PHE  HN     36 ARG  HA      4.69  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 572, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   4 PHE  HN     36 ARG  HB2     4.13  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 574, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   4 PHE  HN     36 ARG  HB3     4.49  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 575, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   4 PHE  HN      4 PHE  HB2     3.20  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  51, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   4 PHE  HN      4 PHE  HB3     3.78  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  52, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   4 PHE  HN      4 PHE  QD      3.34  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=  55,  63,
 &end
#
#   4 PHE  HN     53 LEU  QD1     4.75  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 836, 837, 838,
 &end
#
#   4 PHE  HN     53 LEU  QD2     5.50  (#SUP  0.77  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 840, 841, 842,
 &end
#
#   4 PHE  HN      9 LEU  QD1     5.50  (#SUP  0.77  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 131, 132, 133,
 &end
#
#   4 PHE  QD     12 GLU  HB3     5.06  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     12 GLU  HN      4.91  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     12 GLU  QG      3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  55,  63,
 igr2= 181, 182,
 &end
#
#   4 PHE  QD     36 ARG  HA      5.02  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     36 ARG  HB2     5.50  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     36 ARG  HB3     4.51  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     36 ARG  QD      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  55,  63,
 igr2= 580, 581,
 &end
#
#   4 PHE  QD     38 THR  QG2     3.31  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=  55,  63,
 igr2= 612, 613, 614,
 &end
#
#   4 PHE  QD     53 LEU  QD1     3.82  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=  55,  63,
 igr2= 836, 837, 838,
 &end
#
#   4 PHE  QD     53 LEU  QD2     4.43  (#SUP  0.53  #QF  0.37)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  55,  63,
 igr2= 840, 841, 842,
 &end
#
#   4 PHE  QD      5 THR  HN      4.13  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD     84 ILE  QD1     5.04  (#SUP  0.43  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  55,  63,
 igr2=1307,1308,1309,
 &end
#
#   4 PHE  QD     84 ILE  QG2     3.78  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  55,  63,
 igr2=1300,1301,1302,
 &end
#
#   4 PHE  QD      8 GLY  HA2     4.78  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD      8 GLY  HA3     4.17  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD      9 LEU  HA      4.20  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD      9 LEU  HB2     5.15  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD      9 LEU  HN      4.47  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=  55,  63,
 &end
#
#   4 PHE  QD      9 LEU  QD1     3.83  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  55,  63,
 igr2= 131, 132, 133,
 &end
#
#   4 PHE  QE     12 GLU  HG2     4.40  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  57,  61,
 &end
#
#   4 PHE  QE     12 GLU  HG3     4.40  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  57,  61,
 &end
#
#   4 PHE  QE     12 GLU  QG      3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=  57,  61,
 igr2= 181, 182,
 &end
#
#   4 PHE  QE     38 THR  QG2     4.17  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=  57,  61,
 igr2= 612, 613, 614,
 &end
#
#   4 PHE  QE     84 ILE  QD1     4.50  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  57,  61,
 igr2=1307,1308,1309,
 &end
#
#   4 PHE  QE     84 ILE  QG2     3.57  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1=  57,  61,
 igr2=1300,1301,1302,
 &end
#
#   5 THR  HA     36 ARG  HE      4.26  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=  69, 583, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   5 THR  HA      5 THR  QG2     3.69  (#SUP  0.90  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  73,  74,  75,
 &end
#
#   5 THR  HA      6 ARG  HN      3.03  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  81, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   5 THR  HN      5 THR  QG2     3.00  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  73,  74,  75,
 &end
#
#   5 THR  HN      6 ARG  HN      4.73  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  81, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   5 THR  HN      8 GLY  HA3     3.69  (#SUP  0.52  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 118, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   5 THR  QG2     6 ARG  HN      3.65  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=  73,  74,  75,
 &end
#
#   5 THR  QG2     7 CYX  HN      3.72  (#SUP  0.75  #QF  0.33)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  73,  74,  75,
 &end
#
#   5 THR  QG2     7 CYX  QB      4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  73,  74,  75,
 igr2= 109, 110,
 &end
#
#   5 THR  QG2     8 GLY  HN      4.41  (#SUP  0.30  #QF  0.30)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  73,  74,  75,
 &end
#
#   6 ARG  HA     36 ARG  HE      4.53  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 583, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   6 ARG  HA     36 ARG  QD      3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 580, 581,
 &end
#
#   6 ARG  HA     36 ARG  QH1     4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 586, 587,
 &end
#
#   6 ARG  HA      6 ARG  HD2     4.73  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  91, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   6 ARG  HA      6 ARG  HD3     4.73  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   6 ARG  HA      6 ARG  HE      4.87  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  94, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   6 ARG  HA      6 ARG  QG      3.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=  88,  89,
 &end
#
#   6 ARG  HA      9 LEU  HB2     4.72  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 126, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   6 ARG  HA      9 LEU  HB3     4.02  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 127, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   6 ARG  HA      9 LEU  HN      4.55  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 122, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   6 ARG  HA      9 LEU  QD2     4.05  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 135, 136, 137,
 &end
#
#   6 ARG  HB2     6 ARG  HE      4.58  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  94, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   6 ARG  HB2     7 CYX  HN      3.87  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 105, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   6 ARG  HB3     6 ARG  HE      4.58  (#SUP  0.99  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  94, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   6 ARG  HB3     7 CYX  HN      3.87  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 105, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   6 ARG  HE    115 PRO  QB      4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1824,1825,
 &end
#
#   6 ARG  HE    115 PRO  QG      4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1821,1822,
 &end
#
#   6 ARG  HE     27 VAL  QG2     4.51  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 450, 451, 452,
 &end
#
#   6 ARG  HN     36 ARG  HE      4.69  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 583, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   6 ARG  HN     36 ARG  QD      4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 580, 581,
 &end
#
#   6 ARG  HN     36 ARG  QH1     4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 586, 587,
 &end
#
#   6 ARG  HN     36 ARG  QH2     4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 589, 590,
 &end
#
#   6 ARG  HN      6 ARG  HB2     3.18  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  85, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   6 ARG  HN      6 ARG  HB3     3.18  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  86, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   6 ARG  HN      6 ARG  QD      5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=  91,  92,
 &end
#
#   6 ARG  QB      6 ARG  HE      3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   6 ARG  QB      6 ARG  QD      3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=  85,  86,
 igr2=  91,  92,
 &end
#
#   6 ARG  QB      7 CYX  HN      3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  85,  86,
 &end
#
#   6 ARG  QD    115 PRO  QB      3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=  91,  92,
 igr2=1824,1825,
 &end
#
#   6 ARG  QD    115 PRO  QG      4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=  91,  92,
 igr2=1821,1822,
 &end
#
#   6 ARG  QD    117 ILE  QG2     3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  91,  92,
 igr2=1849,1850,1851,
 &end
#
#   6 ARG  QD     27 VAL  QG1     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=  91,  92,
 igr2= 446, 447, 448,
 &end
#
#   6 ARG  QD     27 VAL  QG2     3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  91,  92,
 igr2= 450, 451, 452,
 &end
#
#   6 ARG  QD      6 ARG  QH1     3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=  91,  92,
 igr2=  97,  98,
 &end
#
#   6 ARG  QD      7 CYX  HN      5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=  91,  92,
 &end
#
#   6 ARG  QG     10 VAL  HN      5.25  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=  88,  89,
 &end
#
#   6 ARG  QG     10 VAL  QG2     4.26  (#SUP  0.36  #QF  0.36)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  88,  89,
 igr2= 151, 152, 153,
 &end
#
#   6 ARG  QG    117 ILE  QG2     3.83  (#SUP  0.87  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  88,  89,
 igr2=1849,1850,1851,
 &end
#
#   6 ARG  QG     27 VAL  QG1     4.69  (#SUP  0.96  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=  88,  89,
 igr2= 446, 447, 448,
 &end
#
#   6 ARG  QG     27 VAL  QG2     3.10  (#SUP  0.21  #QF  0.21)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=  88,  89,
 igr2= 450, 451, 452,
 &end
#
#   6 ARG  QG      6 ARG  HE      3.59  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  94, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=  88,  89,
 &end
#
#   6 ARG  QG      7 CYX  HA      4.90  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  88,  89,
 &end
#
#   6 ARG  QG      7 CYX  HN      5.03  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=  88,  89,
 &end
#
#   6 ARG  QH1   115 PRO  QB      4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  97,  98,
 igr2=1824,1825,
 &end
#
#   6 ARG  QH1   116 ASP  HN      4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=  97,  98,
 &end
#
#   7 CYX  HA     10 VAL  HB      4.11  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 145, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   7 CYX  HA     10 VAL  HN      4.12  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 141, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   7 CYX  HA     10 VAL  QG1     4.64  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 147, 148, 149,
 &end
#
#   7 CYX  HA      9 LEU  HN      4.86  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   7 CYX  HB2     8 GLY  HN      4.18  (#SUP  0.94  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   7 CYX  HB3     8 GLY  HN      4.18  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   7 CYX  HN      7 CYX  HB2     3.64  (#SUP  0.86  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   7 CYX  HN      7 CYX  HB3     3.64  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   7 CYX  HN      7 CYX  QB      2.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 109, 110,
 &end
#
#   7 CYX  HN      8 GLY  HN      3.24  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 115, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#   7 CYX  QB      8 GLY  HN      3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 109, 110,
 &end
#
#   8 GLY  HA2    11 HIS  HN      4.08  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   8 GLY  HA2    11 HIS  QB      3.81  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 161, 162,
 &end
#
#   8 GLY  HA2    12 GLU  HN      4.59  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 174, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   8 GLY  HA3    10 VAL  HN      5.20  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 141, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   8 GLY  HA3    11 HIS  QB      5.23  (#SUP  0.97  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 161, 162,
 &end
#
#   8 GLY  HA3     9 LEU  HA      4.71  (#SUP  0.97  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   8 GLY  HA3     9 LEU  HN      3.55  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   8 GLY  HN     10 VAL  HN      5.03  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   8 GLY  HN      8 GLY  HA3     2.92  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 115, 118, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#   8 GLY  HN      9 LEU  HN      3.27  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 122, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   9 LEU  HA     12 GLU  HA      5.50  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HA     12 GLU  HB2     4.05  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 178, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   9 LEU  HA     12 GLU  HB3     3.89  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 179, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   9 LEU  HA     12 GLU  HN      4.52  (#SUP  0.99  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 174, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   9 LEU  HA     12 GLU  QG      4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 181, 182,
 &end
#
#   9 LEU  HA     13 LEU  HG      4.65  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 196, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   9 LEU  HA     13 LEU  HN      4.44  (#SUP  0.99  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 189, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   9 LEU  HA     13 LEU  QD2     4.64  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 202, 203, 204,
 &end
#
#   9 LEU  HA      9 LEU  HG      3.94  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   9 LEU  HA      9 LEU  QD1     3.02  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 131, 132, 133,
 &end
#
#   9 LEU  HA      9 LEU  QD2     4.21  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 135, 136, 137,
 &end
#
#   9 LEU  HB2    10 VAL  HN      4.18  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   9 LEU  HB2    12 GLU  HB3     5.50  (#SUP  0.67  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB2    13 LEU  HG      5.40  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   9 LEU  HB2    27 VAL  HB      5.50  (#SUP  0.67  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  HB2    36 ARG  HB3     5.09  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 575, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   9 LEU  HB2    36 ARG  QD      4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 580, 581,
 &end
#
#   9 LEU  HB2     9 LEU  QD1     3.21  (#SUP  1.00  #QF  0.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 131, 132, 133,
 &end
#
#   9 LEU  HB2     9 LEU  QD2     3.50  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 135, 136, 137,
 &end
#
#   9 LEU  HB3    10 VAL  HA      4.75  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 143, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   9 LEU  HB3    10 VAL  HN      3.29  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   9 LEU  HB3    10 VAL  QG2     4.11  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 151, 152, 153,
 &end
#
#   9 LEU  HB3    11 HIS  HN      5.36  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 157, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   9 LEU  HB3    13 LEU  QD1     4.51  (#SUP  0.95  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 198, 199, 200,
 &end
#
#   9 LEU  HB3    31 GLU  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 508, 509,
 &end
#
#   9 LEU  HB3    36 ARG  HD2     4.83  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 580, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   9 LEU  HB3    36 ARG  HD3     4.83  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 581, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   9 LEU  HB3    36 ARG  QD      4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 580, 581,
 &end
#
#   9 LEU  HB3     9 LEU  QD1     3.67  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 131, 132, 133,
 &end
#
#   9 LEU  HB3     9 LEU  QD2     3.51  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 135, 136, 137,
 &end
#
#   9 LEU  HG     10 VAL  HA      4.38  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   9 LEU  HG     10 VAL  HN      4.48  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   9 LEU  HG     13 LEU  HN      4.50  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   9 LEU  HG     13 LEU  QD1     3.63  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 198, 199, 200,
 &end
#
#   9 LEU  HG     13 LEU  QD2     4.36  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 202, 203, 204,
 &end
#
#   9 LEU  HG     27 VAL  HA      4.68  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 442, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   9 LEU  HG     27 VAL  QG1     3.71  (#SUP  0.64  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 446, 447, 448,
 &end
#
#   9 LEU  HN     10 VAL  HB      5.19  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 145, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   9 LEU  HN     10 VAL  HN      3.36  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 122, 141, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   9 LEU  HN     10 VAL  QG2     4.61  (#SUP  0.21  #QF  0.21)
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 151, 152, 153,
 &end
#
#   9 LEU  HN     12 GLU  HN      5.16  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   9 LEU  HN     36 ARG  QD      4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 580, 581,
 &end
#
#   9 LEU  HN      9 LEU  HB2     3.06  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   9 LEU  HN      9 LEU  HB3     3.06  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   9 LEU  HN      9 LEU  HG      4.64  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   9 LEU  HN      9 LEU  QD1     3.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 131, 132, 133,
 &end
#
#   9 LEU  HN      9 LEU  QD2     4.32  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 135, 136, 137,
 &end
#
#   9 LEU  QD1    10 VAL  HN      4.87  (#SUP  0.99  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    11 HIS  HN      5.50  (#SUP  0.65  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    12 GLU  HB3     4.01  (#SUP  0.80  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    12 GLU  HN      5.06  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    13 LEU  HA      5.50  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    13 LEU  HG      3.46  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    13 LEU  HN      4.13  (#SUP  1.00  #QF  0.24)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    13 LEU  QD2     3.55  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 131, 132, 133,
 igr2= 202, 203, 204,
 &end
#
#   9 LEU  QD1    30 VAL  HB      4.68  (#SUP  0.85  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    30 VAL  QG1     3.35  (#SUP  0.47  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 131, 132, 133,
 igr2= 491, 492, 493,
 &end
#
#   9 LEU  QD1    36 ARG  HD2     5.10  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    36 ARG  HD3     5.10  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 131, 132, 133,
 &end
#
#   9 LEU  QD1    36 ARG  QD      4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 131, 132, 133,
 igr2= 580, 581,
 &end
#
#   9 LEU  QD2    27 VAL  HA      3.34  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    27 VAL  HB      3.52  (#SUP  0.92  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    27 VAL  HN      4.62  (#SUP  0.93  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    30 VAL  HB      3.84  (#SUP  0.92  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    30 VAL  HN      5.13  (#SUP  0.93  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    30 VAL  QG1     3.26  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 135, 136, 137,
 igr2= 491, 492, 493,
 &end
#
#   9 LEU  QD2    31 GLU  HN      4.77  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    31 GLU  QG      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 135, 136, 137,
 igr2= 508, 509,
 &end
#
#   9 LEU  QD2    36 ARG  HA      4.45  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    36 ARG  HD2     3.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    36 ARG  HD3     3.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    36 ARG  HG2     4.10  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 135, 136, 137,
 &end
#
#   9 LEU  QD2    36 ARG  HN      4.71  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 135, 136, 137,
 &end
#
#  10 VAL  HA     10 VAL  QG1     3.15  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 147, 148, 149,
 &end
#
#  10 VAL  HA     10 VAL  QG2     3.08  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 151, 152, 153,
 &end
#
#  10 VAL  HA     13 LEU  HB2     3.58  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 193, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  10 VAL  HA     13 LEU  HB3     5.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 143, 194, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  10 VAL  HA     13 LEU  HG      4.32  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 196, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  10 VAL  HA     13 LEU  HN      4.15  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 189, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  10 VAL  HA     13 LEU  QD1     3.59  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 198, 199, 200,
 &end
#
#  10 VAL  HA     13 LEU  QD2     5.45  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 202, 203, 204,
 &end
#
#  10 VAL  HA     14 ARG  HN      4.39  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 208, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  10 VAL  HA     23 MET  HA      5.22  (#SUP  0.46  #QF  0.46)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 363, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  10 VAL  HA     23 MET  QE      4.16  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 372, 373, 374,
 &end
#
#  10 VAL  HA     27 VAL  QG1     3.63  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 446, 447, 448,
 &end
#
#  10 VAL  HB     11 HIS  HD2     4.59  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 170, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  10 VAL  HB     11 HIS  HN      3.09  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 157, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  10 VAL  HB     11 HIS  QB      5.00  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 161, 162,
 &end
#
#  10 VAL  HB    120 CYX  QB      3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1888,1889,
 &end
#
#  10 VAL  HN     10 VAL  HB      2.97  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  10 VAL  HN     10 VAL  QG1     4.10  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 147, 148, 149,
 &end
#
#  10 VAL  HN     10 VAL  QG2     2.95  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 151, 152, 153,
 &end
#
#  10 VAL  HN    117 ILE  QG2     5.30  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1849,1850,1851,
 &end
#
#  10 VAL  HN     11 HIS  HN      3.43  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 157, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  10 VAL  HN     13 LEU  QD1     5.07  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 198, 199, 200,
 &end
#
#  10 VAL  HN     23 MET  QG      5.02  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 368, 369,
 &end
#
#  10 VAL  HN     27 VAL  QG1     3.59  (#SUP  0.21  #QF  0.21)
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 446, 447, 448,
 &end
#
#  10 VAL  QG1    11 HIS  HA      4.10  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    11 HIS  HD2     3.62  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    11 HIS  HN      3.66  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    11 HIS  QB      5.10  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 147, 148, 149,
 igr2= 161, 162,
 &end
#
#  10 VAL  QG1   120 CYX  HB2     3.77  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1   120 CYX  HB3     3.77  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1889, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1   120 CYX  HN      5.35  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1   120 CYX  QB      3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 147, 148, 149,
 igr2=1888,1889,
 &end
#
#  10 VAL  QG1    12 GLU  HN      5.22  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    13 LEU  HN      5.17  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    13 LEU  QD1     4.85  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 147, 148, 149,
 igr2= 198, 199, 200,
 &end
#
#  10 VAL  QG1    14 ARG  HA      5.50  (#SUP  0.80  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HD2     4.11  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HD3     4.11  (#SUP  0.98  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HE      4.31  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HG2     4.39  (#SUP  0.97  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HG3     4.39  (#SUP  0.84  #QF  0.46)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  HN      4.36  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 147, 148, 149,
 &end
#
#  10 VAL  QG1    14 ARG  QB      4.03  (#SUP  0.97  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 147, 148, 149,
 igr2= 212, 213,
 &end
#
#  10 VAL  QG1    14 ARG  QD      3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 147, 148, 149,
 igr2= 218, 219,
 &end
#
#  10 VAL  QG1    14 ARG  QG      3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 147, 148, 149,
 igr2= 215, 216,
 &end
#
#  10 VAL  QG1    14 ARG  QH1     3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 147, 148, 149,
 igr2= 224, 225,
 &end
#
#  10 VAL  QG1    14 ARG  QH2     4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 147, 148, 149,
 igr2= 227, 228,
 &end
#
#  10 VAL  QG1    23 MET  QE      3.40  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 147, 148, 149,
 igr2= 372, 373, 374,
 &end
#
#  10 VAL  QG1    23 MET  QG      3.61  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 147, 148, 149,
 igr2= 368, 369,
 &end
#
#  10 VAL  QG2   117 ILE  HB      3.30  (#SUP  0.96  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1847, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 151, 152, 153,
 &end
#
#  10 VAL  QG2   117 ILE  QG2     3.00  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 151, 152, 153,
 igr2=1849,1850,1851,
 &end
#
#  10 VAL  QG2    11 HIS  HD2     5.05  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 151, 152, 153,
 &end
#
#  10 VAL  QG2    11 HIS  HN      4.01  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 151, 152, 153,
 &end
#
#  10 VAL  QG2   120 CYX  HN      4.92  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 151, 152, 153,
 &end
#
#  10 VAL  QG2   120 CYX  QB      3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 151, 152, 153,
 igr2=1888,1889,
 &end
#
#  10 VAL  QG2    23 MET  QE      4.71  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 151, 152, 153,
 igr2= 372, 373, 374,
 &end
#
#  10 VAL  QG2    23 MET  QG      4.22  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 151, 152, 153,
 igr2= 368, 369,
 &end
#
#  10 VAL  QG2    24 ARG  HA      5.01  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 151, 152, 153,
 &end
#
#  10 VAL  QG2    27 VAL  QG1     2.99  (#SUP  0.92  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 151, 152, 153,
 igr2= 446, 447, 448,
 &end
#
#  11 HIS  HA     11 HIS  HD2     3.32  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 170, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  11 HIS  HA     14 ARG  HD2     4.53  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 218, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  11 HIS  HA     14 ARG  HD3     4.53  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 219, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  11 HIS  HA     14 ARG  HN      4.04  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 208, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  11 HIS  HA     14 ARG  QB      3.59  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 212, 213,
 &end
#
#  11 HIS  HA     14 ARG  QD      3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 218, 219,
 &end
#
#  11 HIS  HA     15 LYS  HN      4.56  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  11 HIS  HD2   120 CYX  HB2     4.91  (#SUP  0.92  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,1888, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  11 HIS  HD2   120 CYX  HB3     4.91  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,1889, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  11 HIS  HD2   120 CYX  QB      4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1888,1889,
 &end
#
#  11 HIS  HD2    14 ARG  QB      4.74  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 212, 213,
 &end
#
#  11 HIS  HD2    14 ARG  QD      4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 218, 219,
 &end
#
#  11 HIS  HD2    23 MET  QG      5.50  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#  11 HIS  HN     11 HIS  HD2     3.82  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 170, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  11 HIS  HN     11 HIS  QB      2.79  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 161, 162,
 &end
#
#  11 HIS  HN    120 CYX  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1888,1889,
 &end
#
#  11 HIS  HN     12 GLU  HB2     5.01  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 178, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  11 HIS  HN     12 GLU  HN      3.31  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 174, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  11 HIS  HN     13 LEU  HN      4.83  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 189, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  11 HIS  HN     13 LEU  QD1     5.50  (#SUP  0.65  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 198, 199, 200,
 &end
#
#  11 HIS  HN     14 ARG  QB      4.87  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 212, 213,
 &end
#
#  11 HIS  HN     14 ARG  QD      5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 218, 219,
 &end
#
#  11 HIS  HN     23 MET  QG      5.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 368, 369,
 &end
#
#  11 HIS  QB     11 HIS  HD2     3.85  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 161, 162,
 &end
#
#  11 HIS  QB     12 GLU  HA      4.46  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 161, 162,
 &end
#
#  11 HIS  QB     12 GLU  HN      2.97  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 161, 162,
 &end
#
#  11 HIS  QB     12 GLU  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 161, 162,
 igr2= 181, 182,
 &end
#
#  11 HIS  QB     14 ARG  HN      5.49  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 161, 162,
 &end
#
#  11 HIS  QB     14 ARG  QB      4.40  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 161, 162,
 igr2= 212, 213,
 &end
#
#  12 GLU  HA     12 GLU  HG2     4.12  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 176, 181, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  12 GLU  HA     12 GLU  HG3     4.12  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  12 GLU  HA     13 LEU  QD2     5.50  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 202, 203, 204,
 &end
#
#  12 GLU  HA     14 ARG  HN      5.37  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 208, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  12 GLU  HA     16 HIS  HD2     5.50  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 GLU  HA     84 ILE  HG12    5.50  (#SUP  0.71  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 176,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 GLU  HA     84 ILE  QD1     4.55  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1307,1308,1309,
 &end
#
#  12 GLU  HB2    13 LEU  HN      3.58  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  12 GLU  HB2    84 ILE  HG12    5.50  (#SUP  0.95  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 GLU  HB2    84 ILE  QD1     3.83  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1307,1308,1309,
 &end
#
#  12 GLU  HB2    84 ILE  QG2     5.11  (#SUP  0.95  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1300,1301,1302,
 &end
#
#  12 GLU  HB3    13 LEU  HN      3.30  (#SUP  1.00  #QF  0.52)
 &rst
  ixpk= 1, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  12 GLU  HB3    13 LEU  QD2     3.97  (#SUP  1.00  #QF  0.20)
 &rst
  ixpk= 1, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 202, 203, 204,
 &end
#
#  12 GLU  HB3    84 ILE  QG2     4.90  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1300,1301,1302,
 &end
#
#  12 GLU  HG2    84 ILE  HG12    4.71  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1304, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  12 GLU  HG2    84 ILE  QD1     3.87  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1307,1308,1309,
 &end
#
#  12 GLU  HG3    84 ILE  HG12    4.71  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 182,1304, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  12 GLU  HG3    84 ILE  QD1     3.87  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1307,1308,1309,
 &end
#
#  12 GLU  HN     12 GLU  HB2     3.21  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  12 GLU  HN     12 GLU  HB3     3.49  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  12 GLU  HN     12 GLU  HG2     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  12 GLU  HN     12 GLU  HG3     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 182, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  12 GLU  HN     12 GLU  QG      4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 181, 182,
 &end
#
#  12 GLU  HN     13 LEU  HG      4.82  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 196, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  12 GLU  HN     13 LEU  HN      3.27  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 174, 189, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  12 GLU  HN     14 ARG  HN      4.90  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  12 GLU  QG     13 LEU  HN      5.12 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 181, 182,
 &end
#
#  12 GLU  QG     16 HIS  HD2     4.55 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 181, 182,
 &end
#
#  12 GLU  QG     38 THR  QG2     5.34 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 181, 182,
 igr2= 612, 613, 614,
 &end
#
#  12 GLU  QG     84 ILE  HG12    3.94 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 181, 182,
 &end
#
#  12 GLU  QG     84 ILE  HG13    4.92 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 181, 182,
 &end
#
#  12 GLU  QG     84 ILE  QG2     4.34 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 181, 182,
 igr2=1300,1301,1302,
 &end
#
#  13 LEU  HA     13 LEU  HG      3.83  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  13 LEU  HA     13 LEU  QD1     4.11  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 198, 199, 200,
 &end
#
#  13 LEU  HA     13 LEU  QD2     2.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 202, 203, 204,
 &end
#
#  13 LEU  HA     16 HIS  HB2     3.94  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 258, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  13 LEU  HA     16 HIS  HD2     4.64  (#SUP  0.83  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 267, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  13 LEU  HA     16 HIS  HN      3.85  (#SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1, nxpk= 0, iat= 191, 254, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  13 LEU  HA     18 PHE  HB2     4.61  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 282, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  13 LEU  HA     18 PHE  HN      5.35  (#SUP  0.83  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 278, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  13 LEU  HA     18 PHE  QD      3.63  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 286, 294,
 &end
#
#  13 LEU  HA     18 PHE  QE      4.56  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 288, 292,
 &end
#
#  13 LEU  HA     23 MET  QE      4.82  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 372, 373, 374,
 &end
#
#  13 LEU  HA     84 ILE  QD1     3.97  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1307,1308,1309,
 &end
#
#  13 LEU  HB2    13 LEU  QD1     3.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 198, 199, 200,
 &end
#
#  13 LEU  HB2    13 LEU  QD2     3.91  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 202, 203, 204,
 &end
#
#  13 LEU  HB2    14 ARG  HN      2.84  (#SUP  0.92  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#  13 LEU  HB2    18 PHE  HB2     4.23  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 193, 282, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  13 LEU  HB2    18 PHE  HN      5.02  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 278, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  13 LEU  HB2    18 PHE  QD      4.89  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 286, 294,
 &end
#
#  13 LEU  HB3    13 LEU  QD1     3.26  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 198, 199, 200,
 &end
#
#  13 LEU  HB3    13 LEU  QD2     3.32  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 202, 203, 204,
 &end
#
#  13 LEU  HB3    14 ARG  HN      3.88  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  13 LEU  HB3    18 PHE  HA      4.89  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 280, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  13 LEU  HB3    18 PHE  HB2     3.77  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 194, 282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  13 LEU  HB3    18 PHE  HB3     4.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 283, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  13 LEU  HB3    18 PHE  HN      4.49  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 278, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  13 LEU  HB3    18 PHE  QD      3.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 286, 294,
 &end
#
#  13 LEU  HB3    23 MET  QE      3.47  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 372, 373, 374,
 &end
#
#  13 LEU  HG     14 ARG  HN      4.25  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  13 LEU  HG     27 VAL  QG1     5.12  (#SUP  0.96  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 446, 447, 448,
 &end
#
#  13 LEU  HN     13 LEU  HB2     3.48  (#SUP  1.00  #QF  0.52)
 &rst
  ixpk= 1, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  13 LEU  HN     13 LEU  HB3     3.63  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  13 LEU  HN     13 LEU  HG      2.98  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  13 LEU  HN     13 LEU  QD1     3.88  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 198, 199, 200,
 &end
#
#  13 LEU  HN     13 LEU  QD2     3.69  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 202, 203, 204,
 &end
#
#  13 LEU  HN     14 ARG  HN      3.29  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 189, 208, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  13 LEU  HN     15 LYS  HN      4.67  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 232, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  13 LEU  HN     18 PHE  QD      5.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 286, 294,
 &end
#
#  13 LEU  QD1    14 ARG  HN      4.50  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    16 HIS  HB2     5.50  (#SUP  0.90  #QF  0.22)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    18 PHE  HB2     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    18 PHE  QD      4.21  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 198, 199, 200,
 igr2= 286, 294,
 &end
#
#  13 LEU  QD1    23 MET  QE      3.87  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 198, 199, 200,
 igr2= 372, 373, 374,
 &end
#
#  13 LEU  QD1    26 TRP  HB2     3.93  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    26 TRP  HB3     3.60  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    26 TRP  HN      5.04  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    27 VAL  HA      3.62  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    27 VAL  HB      5.20  (#SUP  0.85  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    27 VAL  HN      4.52  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    27 VAL  QG1     3.31  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 198, 199, 200,
 igr2= 446, 447, 448,
 &end
#
#  13 LEU  QD1    54 PHE  HZ      4.87  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 198, 199, 200,
 &end
#
#  13 LEU  QD1    54 PHE  QE      5.18  (#SUP  0.92  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 198, 199, 200,
 igr2= 856, 860,
 &end
#
#  13 LEU  QD2    14 ARG  HN      4.85  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    16 HIS  HB2     4.93  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    16 HIS  HD2     5.08  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    18 PHE  HA      5.50  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    18 PHE  HB2     4.66  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    18 PHE  HB3     4.95  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    18 PHE  HN      5.50  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    18 PHE  QD      3.45  (#SUP  0.92  #QF  0.30)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 202, 203, 204,
 igr2= 286, 294,
 &end
#
#  13 LEU  QD2    18 PHE  QE      3.86  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 202, 203, 204,
 igr2= 288, 292,
 &end
#
#  13 LEU  QD2    23 MET  QE      4.54  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 202, 203, 204,
 igr2= 372, 373, 374,
 &end
#
#  13 LEU  QD2    26 TRP  HB3     4.71  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    30 VAL  QG2     4.19  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 202, 203, 204,
 igr2= 495, 496, 497,
 &end
#
#  13 LEU  QD2    53 LEU  QD2     4.22  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 202, 203, 204,
 igr2= 840, 841, 842,
 &end
#
#  13 LEU  QD2    54 PHE  HZ      3.44  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    54 PHE  QD      5.50  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 202, 203, 204,
 igr2= 854, 862,
 &end
#
#  13 LEU  QD2    54 PHE  QE      3.90  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 202, 203, 204,
 igr2= 856, 860,
 &end
#
#  13 LEU  QD2    84 ILE  HG12    5.49  (#SUP  0.95  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 202, 203, 204,
 &end
#
#  13 LEU  QD2    84 ILE  QD1     3.30  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 202, 203, 204,
 igr2=1307,1308,1309,
 &end
#
#  13 LEU  QD2    84 ILE  QG2     5.09  (#SUP  0.95  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 202, 203, 204,
 igr2=1300,1301,1302,
 &end
#
#  13 LEU  QD2    88 ALA  QB      4.22  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 202, 203, 204,
 igr2=1363,1364,1365,
 &end
#
#  14 ARG  HA     14 ARG  HE      4.89  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 221, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  14 ARG  HA     14 ARG  HG2     3.71  (#SUP  0.99  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  14 ARG  HA     14 ARG  HG3     3.71  (#SUP  0.40  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 216, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  14 ARG  HA     14 ARG  QD      4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 218, 219,
 &end
#
#  14 ARG  HA     14 ARG  QG      3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 215, 216,
 &end
#
#  14 ARG  HA     17 GLY  HN      4.21  (#SUP  0.86  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 271, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  14 ARG  HA     18 PHE  HB2     4.14  (#SUP  0.99  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 282, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  14 ARG  HE     23 MET  QE      4.11  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 372, 373, 374,
 &end
#
#  14 ARG  HG2    14 ARG  HE      4.10  (#SUP  0.74  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 221, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  14 ARG  HG3    14 ARG  HE      4.10  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  14 ARG  HN     14 ARG  QB      3.10  (#SUP  0.92  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 212, 213,
 &end
#
#  14 ARG  HN     14 ARG  QD      3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 218, 219,
 &end
#
#  14 ARG  HN     14 ARG  QG      4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 215, 216,
 &end
#
#  14 ARG  HN     15 LYS  HN      3.31  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 232, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  14 ARG  HN     16 HIS  HN      4.55  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 254, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  14 ARG  HN     18 PHE  HB2     5.08  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 282, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  14 ARG  HN     23 MET  QE      3.71  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 372, 373, 374,
 &end
#
#  14 ARG  QB     14 ARG  HD2     3.39  (#SUP  0.98  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 212, 213,
 &end
#
#  14 ARG  QB     14 ARG  HD3     3.39  (#SUP  1.00  #QF  0.97)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 212, 213,
 &end
#
#  14 ARG  QB     14 ARG  HE      3.94  (#SUP  0.74  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 212, 213,
 &end
#
#  14 ARG  QB     17 GLY  HN      5.03  (#SUP  0.36  #QF  0.36)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 212, 213,
 &end
#
#  14 ARG  QB     23 MET  QG      5.50  (#SUP  0.98  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 212, 213,
 igr2= 368, 369,
 &end
#
#  14 ARG  QD     14 ARG  QH1     3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 218, 219,
 igr2= 224, 225,
 &end
#
#  14 ARG  QD     14 ARG  QH2     3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 218, 219,
 igr2= 227, 228,
 &end
#
#  14 ARG  QD     15 LYS  HN      5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 218, 219,
 &end
#
#  14 ARG  QD     23 MET  QE      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 218, 219,
 igr2= 372, 373, 374,
 &end
#
#  14 ARG  QD     23 MET  QG      4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 218, 219,
 igr2= 368, 369,
 &end
#
#  14 ARG  QG     14 ARG  HE      3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 215, 216,
 &end
#
#  14 ARG  QH1    23 MET  QE      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 224, 225,
 igr2= 372, 373, 374,
 &end
#
#  15 LYS  HA     15 LYS  HG2     3.79  (#SUP  0.99  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  15 LYS  HA     15 LYS  HG3     3.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  15 LYS  HA     15 LYS  QG      3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 239, 240,
 &end
#
#  15 LYS  HA     17 GLY  HN      4.49  (#SUP  0.86  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  15 LYS  HB2    15 LYS  QE      4.49  (#SUP  0.85  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 245, 246,
 &end
#
#  15 LYS  HB2    16 HIS  HN      4.40  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  15 LYS  HB3    15 LYS  QE      4.49  (#SUP  0.25  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 245, 246,
 &end
#
#  15 LYS  HB3    16 HIS  HN      4.40  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  15 LYS  HG2    15 LYS  QE      3.92  (#SUP  0.91  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 245, 246,
 &end
#
#  15 LYS  HG2    16 HIS  HN      5.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  15 LYS  HG3    15 LYS  QE      3.92  (#SUP  0.98  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 245, 246,
 &end
#
#  15 LYS  HG3    16 HIS  HN      5.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  15 LYS  HN     15 LYS  HG2     4.51  (#SUP  0.84  #QF  0.39)
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  15 LYS  HN     15 LYS  HG3     4.51  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  15 LYS  HN     15 LYS  QB      2.64 
 &rst
  ixpk= 1, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2= 236, 237,
 &end
#
#  15 LYS  HN     15 LYS  QG      3.78 
 &rst
  ixpk= 1, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 239, 240,
 &end
#
#  15 LYS  HN     16 HIS  HN      3.00  (#SUP  0.98  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 LYS  QB     16 HIS  HN      3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 236, 237,
 &end
#
#  15 LYS  QB     17 GLY  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 236, 237,
 &end
#
#  15 LYS  QG     15 LYS  QE      3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 239, 240,
 igr2= 245, 246,
 &end
#
#  15 LYS  QG     16 HIS  HN      4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 239, 240,
 &end
#
#  16 HIS  HB2    17 GLY  HN      4.39  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  16 HIS  HB2    18 PHE  HN      4.68  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 278, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  16 HIS  HB2    18 PHE  QD      3.97  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 286, 294,
 &end
#
#  16 HIS  HB2    18 PHE  QE      3.97  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 288, 292,
 &end
#
#  16 HIS  HB2    84 ILE  HG13    5.50  (#SUP  0.90  #QF  0.22)
 &rst
  ixpk= 0, nxpk= 0, iat= 258,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 HIS  HB2    84 ILE  QD1     4.51  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1307,1308,1309,
 &end
#
#  16 HIS  HB2    88 ALA  QB      4.11  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1363,1364,1365,
 &end
#
#  16 HIS  HB3    18 PHE  QD      3.89  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 286, 294,
 &end
#
#  16 HIS  HB3    18 PHE  QE      3.76  (#SUP  0.97  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 288, 292,
 &end
#
#  16 HIS  HB3    84 ILE  QD1     4.70  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1307,1308,1309,
 &end
#
#  16 HIS  HB3    88 ALA  QB      3.78  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1363,1364,1365,
 &end
#
#  16 HIS  HD2    18 PHE  QE      4.66  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 288, 292,
 &end
#
#  16 HIS  HD2    84 ILE  HG12    4.51  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1304, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  16 HIS  HD2    84 ILE  HG13    4.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1305, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  16 HIS  HD2    84 ILE  QD1     3.92  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1307,1308,1309,
 &end
#
#  16 HIS  HD2    85 THR  HB      4.23  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1317, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  16 HIS  HD2    85 THR  HN      4.96  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,1313, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  16 HIS  HD2    85 THR  QG2     4.78  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1319,1320,1321,
 &end
#
#  16 HIS  HD2    88 ALA  QB      4.35  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1363,1364,1365,
 &end
#
#  16 HIS  HE1    84 ILE  HG12    5.24  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 263,1304, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  16 HIS  HE1    84 ILE  QD1     5.16  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1307,1308,1309,
 &end
#
#  16 HIS  HE1    85 THR  HB      4.10  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 263,1317, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  16 HIS  HE1    85 THR  QG2     4.37  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1319,1320,1321,
 &end
#
#  16 HIS  HN     16 HIS  HB2     3.05  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  16 HIS  HN     16 HIS  HB3     4.04  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  16 HIS  HN     16 HIS  HD2     5.08  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 267, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  16 HIS  HN     17 GLY  HN      3.15  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  16 HIS  HN     18 PHE  QD      4.42  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 286, 294,
 &end
#
#  16 HIS  HN     84 ILE  QD1     5.45  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1307,1308,1309,
 &end
#
#  17 GLY  HN     17 GLY  QA      2.67  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 273, 274,
 &end
#
#  17 GLY  HN     18 PHE  HB2     4.86  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  17 GLY  HN     18 PHE  QD      4.48  (#SUP  0.52  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 286, 294,
 &end
#
#  17 GLY  HN     23 MET  QE      5.50  (#SUP  0.93  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 372, 373, 374,
 &end
#
#  17 GLY  QA     18 PHE  HN      3.36  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 273, 274,
 &end
#
#  18 PHE  HA     18 PHE  QD      3.74  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 286, 294,
 &end
#
#  18 PHE  HA     18 PHE  QE      5.05  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 288, 292,
 &end
#
#  18 PHE  HA     19 GLU  HN      2.78  (#SUP  0.97  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 298, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  18 PHE  HA     26 TRP  HE1     4.92  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 426, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  18 PHE  HA     92 LYS  QD      4.85  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1421,1422,
 &end
#
#  18 PHE  HA     92 LYS  QE      4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1424,1425,
 &end
#
#  18 PHE  HB2    19 GLU  HN      4.70  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 282, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  18 PHE  HB2    23 MET  QE      3.31  (#SUP  0.87  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 372, 373, 374,
 &end
#
#  18 PHE  HB2    26 TRP  HD1     5.50  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 PHE  HB3    19 GLU  HN      3.36  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 298, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  18 PHE  HB3    23 MET  QE      2.92  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 372, 373, 374,
 &end
#
#  18 PHE  HB3    26 TRP  HD1     4.18  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 424, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  18 PHE  HB3    26 TRP  HE1     4.50  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 PHE  HB3    92 LYS  QE      4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1424,1425,
 &end
#
#  18 PHE  HN     18 PHE  HB2     3.01  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  18 PHE  HN     18 PHE  HB3     3.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  18 PHE  HN     18 PHE  QD      2.99  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 286, 294,
 &end
#
#  18 PHE  HN     18 PHE  QE      5.13  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 288, 292,
 &end
#
#  18 PHE  HN     19 GLU  HN      4.80  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 278, 298, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  18 PHE  HN     23 MET  QE      4.29  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 372, 373, 374,
 &end
#
#  18 PHE  HZ     54 PHE  QE      4.29  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 856, 860,
 &end
#
#  18 PHE  HZ     88 ALA  HA      3.21  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,1361, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  18 PHE  HZ     88 ALA  HN      5.23  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,1359, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  18 PHE  HZ     88 ALA  QB      3.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1363,1364,1365,
 &end
#
#  18 PHE  HZ     91 ALA  HN      5.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,1401, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  18 PHE  HZ     91 ALA  QB      3.35  (#SUP  0.99  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1405,1406,1407,
 &end
#
#  18 PHE  HZ     92 LYS  HG2     4.95  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,1418, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  18 PHE  HZ     92 LYS  HG3     5.50  (#SUP  0.99  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,1419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 PHE  HZ     92 LYS  HN      4.43  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 290,1411, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  18 PHE  HZ     92 LYS  QB      5.50  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#  18 PHE  HZ     92 LYS  QD      4.17  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1421,1422,
 &end
#
#  18 PHE  HZ     92 LYS  QE      5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1424,1425,
 &end
#
#  18 PHE  QD     19 GLU  HN      4.48  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 286, 294,
 &end
#
#  18 PHE  QD     22 LEU  QD1     4.99  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 286, 294,
 igr2= 351, 352, 353,
 &end
#
#  18 PHE  QD     23 MET  QE      4.32  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 286, 294,
 igr2= 372, 373, 374,
 &end
#
#  18 PHE  QD     26 TRP  HD1     4.04  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 286, 294,
 &end
#
#  18 PHE  QD     26 TRP  HE1     3.53  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 286, 294,
 &end
#
#  18 PHE  QD     26 TRP  HZ2     4.87  (#SUP  1.00  #QF  0.76)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 286, 294,
 &end
#
#  18 PHE  QD     88 ALA  QB      4.16  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 286, 294,
 igr2=1363,1364,1365,
 &end
#
#  18 PHE  QD     92 LYS  HG3     5.50  (#SUP  0.99  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 286, 294,
 &end
#
#  18 PHE  QD     92 LYS  QD      4.54  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 286, 294,
 igr2=1421,1422,
 &end
#
#  18 PHE  QD     92 LYS  QE      4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 286, 294,
 igr2=1424,1425,
 &end
#
#  18 PHE  QE     23 MET  QE      5.50  (#SUP  0.91  #QF  0.27)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288, 292,
 igr2= 372, 373, 374,
 &end
#
#  18 PHE  QE     26 TRP  HE3     4.88  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     26 TRP  HH2     4.63  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     26 TRP  HZ2     4.41  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     54 PHE  HZ      4.65  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     54 PHE  QD      5.36  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 288, 292,
 igr2= 854, 862,
 &end
#
#  18 PHE  QE     54 PHE  QE      4.13  (#SUP  1.00  #QF  0.83)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 288, 292,
 igr2= 856, 860,
 &end
#
#  18 PHE  QE     84 ILE  QD1     4.64  (#SUP  0.25  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 288, 292,
 igr2=1307,1308,1309,
 &end
#
#  18 PHE  QE     88 ALA  HA      4.16  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     88 ALA  QB      3.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 288, 292,
 igr2=1363,1364,1365,
 &end
#
#  18 PHE  QE     91 ALA  QB      3.91  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 288, 292,
 igr2=1405,1406,1407,
 &end
#
#  18 PHE  QE     92 LYS  HG3     4.82  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     92 LYS  HN      5.10  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 288, 292,
 &end
#
#  18 PHE  QE     92 LYS  QB      5.50  (#SUP  0.91  #QF  0.27)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 288, 292,
 igr2=1415,1416,
 &end
#
#  18 PHE  QE     92 LYS  QD      4.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 288, 292,
 igr2=1421,1422,
 &end
#
#  18 PHE  QE     92 LYS  QE      4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 288, 292,
 igr2=1424,1425,
 &end
#
#  19 GLU  HA     19 GLU  QG      3.23  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 305, 306,
 &end
#
#  19 GLU  HA     20 GLU  HN      2.68  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
#  19 GLU  HA     21 ASN  HN      4.28  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 328, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  19 GLU  HN     19 GLU  QB      3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 302, 303,
 &end
#
#  19 GLU  HN     19 GLU  QG      3.32  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 305, 306,
 &end
#
#  19 GLU  HN     22 LEU  QD1     4.55  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 351, 352, 353,
 &end
#
#  19 GLU  HN     23 MET  QE      4.78  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 372, 373, 374,
 &end
#
#  19 GLU  HN     26 TRP  HD1     4.95  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 424, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  19 GLU  HN     26 TRP  HE1     4.48  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 298, 426, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  19 GLU  QB     20 GLU  HN      3.36 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 302, 303,
 &end
#
#  19 GLU  QB     21 ASN  HN      3.32 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 302, 303,
 &end
#
#  19 GLU  QB     21 ASN  QB      4.68 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 302, 303,
 igr2= 332, 333,
 &end
#
#  19 GLU  QB     22 LEU  HG      4.71 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 302, 303,
 &end
#
#  19 GLU  QB     22 LEU  HN      3.55 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 302, 303,
 &end
#
#  19 GLU  QB     22 LEU  QD1     3.13 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 302, 303,
 igr2= 351, 352, 353,
 &end
#
#  19 GLU  QG     21 ASN  HN      4.83  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 305, 306,
 &end
#
#  19 GLU  QG     22 LEU  HG      4.61  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 305, 306,
 &end
#
#  19 GLU  QG     22 LEU  HN      4.58  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 305, 306,
 &end
#
#  19 GLU  QG     22 LEU  QD1     4.04  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 305, 306,
 igr2= 351, 352, 353,
 &end
#
#  20 GLU  HA    117 ILE  QD1     4.72  (#SUP  0.40  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1856,1857,1858,
 &end
#
#  20 GLU  HA     20 GLU  HG2     4.14  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  20 GLU  HA     20 GLU  HG3     4.14  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 315, 321, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  20 GLU  HA     21 ASN  HA      5.41  (#SUP  0.98  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  20 GLU  HA     22 LEU  HN      4.49  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 315, 342, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  20 GLU  HA     23 MET  HA      5.50  (#SUP  0.98  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 GLU  HA     23 MET  HN      3.73  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 361, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  20 GLU  HA     23 MET  QB      3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 365, 366,
 &end
#
#  20 GLU  HA     23 MET  QE      3.21  (#SUP  0.35  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 372, 373, 374,
 &end
#
#  20 GLU  HA     23 MET  QG      4.34  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 368, 369,
 &end
#
#  20 GLU  HN     20 GLU  HB2     3.73  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  20 GLU  HN     20 GLU  HB3     3.73  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  20 GLU  HN     20 GLU  HG2     3.86  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  20 GLU  HN     20 GLU  HG3     3.86  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  20 GLU  HN     20 GLU  QB      3.10 
 &rst
  ixpk= 1, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 317, 318,
 &end
#
#  20 GLU  HN     20 GLU  QG      3.33 
 &rst
  ixpk= 1, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 320, 321,
 &end
#
#  20 GLU  HN     22 LEU  HN      4.83  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 342, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  20 GLU  HN     23 MET  QE      4.35  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 372, 373, 374,
 &end
#
#  20 GLU  QB     21 ASN  HN      3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 317, 318,
 &end
#
#  20 GLU  QB     21 ASN  QB      5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 317, 318,
 igr2= 332, 333,
 &end
#
#  20 GLU  QG     22 LEU  HN      4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 320, 321,
 &end
#
#  21 ASN  HB2    22 LEU  HN      4.42  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  21 ASN  HB3    22 LEU  HN      4.42  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 342, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  21 ASN  HD21   22 LEU  QD2     4.69  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 355, 356, 357,
 &end
#
#  21 ASN  HD22   22 LEU  QD2     4.69  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 355, 356, 357,
 &end
#
#  21 ASN  HN     21 ASN  HB2     3.63  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  21 ASN  HN     21 ASN  HB3     3.63  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  21 ASN  HN     21 ASN  HD21    5.12  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 337, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  21 ASN  HN     21 ASN  HD22    5.12  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 338, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  21 ASN  HN     21 ASN  QB      3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 332, 333,
 &end
#
#  21 ASN  HN     21 ASN  QD2     4.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 337, 338,
 &end
#
#  21 ASN  HN     22 LEU  HG      4.84  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 349, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  21 ASN  HN     22 LEU  HN      3.31  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 328, 342, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  21 ASN  HN     22 LEU  QD1     5.50  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 351, 352, 353,
 &end
#
#  21 ASN  HN     23 MET  HN      4.41  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 361, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  21 ASN  QB     21 ASN  QD2     3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 332, 333,
 igr2= 337, 338,
 &end
#
#  21 ASN  QB     22 LEU  HG      5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 332, 333,
 &end
#
#  21 ASN  QB     22 LEU  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 332, 333,
 igr2= 346, 347,
 &end
#
#  21 ASN  QB     22 LEU  QD2     4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 332, 333,
 igr2= 355, 356, 357,
 &end
#
#  21 ASN  QD2    22 LEU  HG      4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 337, 338,
 &end
#
#  21 ASN  QD2    22 LEU  HN      4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 337, 338,
 &end
#
#  21 ASN  QD2    22 LEU  QD2     4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 337, 338,
 igr2= 355, 356, 357,
 &end
#
#  22 LEU  HG    100 PHE  HZ      4.89  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1594, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  22 LEU  HG     26 TRP  HD1     4.86  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 424, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  22 LEU  HG     26 TRP  HE1     4.80  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 426, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  22 LEU  HN     22 LEU  HG      3.34  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  22 LEU  HN     22 LEU  QB      2.94  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 346, 347,
 &end
#
#  22 LEU  HN     22 LEU  QD1     4.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 351, 352, 353,
 &end
#
#  22 LEU  HN     22 LEU  QD2     4.01  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 355, 356, 357,
 &end
#
#  22 LEU  HN     23 MET  HN      2.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#  22 LEU  HN     23 MET  QB      4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 365, 366,
 &end
#
#  22 LEU  HN     23 MET  QE      4.89  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 372, 373, 374,
 &end
#
#  22 LEU  HN     26 TRP  HD1     4.93  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 424, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  22 LEU  QB    100 PHE  HZ      3.69  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 346, 347,
 &end
#
#  22 LEU  QB    100 PHE  QE      4.91  (#SUP  0.89  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 346, 347,
 igr2=1592,1596,
 &end
#
#  22 LEU  QB     22 LEU  QD1     3.44  (#SUP  0.89  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 346, 347,
 igr2= 351, 352, 353,
 &end
#
#  22 LEU  QB     22 LEU  QD2     3.17  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 346, 347,
 igr2= 355, 356, 357,
 &end
#
#  22 LEU  QB     23 MET  HN      3.68  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 346, 347,
 &end
#
#  22 LEU  QB     26 TRP  HB2     5.08  (#SUP  0.35  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 346, 347,
 &end
#
#  22 LEU  QB     26 TRP  HD1     3.21  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 346, 347,
 &end
#
#  22 LEU  QB     26 TRP  HE1     3.29  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 346, 347,
 &end
#
#  22 LEU  QB     26 TRP  HN      4.27  (#SUP  0.55  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 346, 347,
 &end
#
#  22 LEU  QD1   100 PHE  HZ      4.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 351, 352, 353,
 &end
#
#  22 LEU  QD1   100 PHE  QE      4.51  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 351, 352, 353,
 igr2=1592,1596,
 &end
#
#  22 LEU  QD1    26 TRP  HD1     4.23  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 351, 352, 353,
 &end
#
#  22 LEU  QD1    26 TRP  HE1     3.36  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 351, 352, 353,
 &end
#
#  22 LEU  QD1    26 TRP  HZ2     4.47  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 351, 352, 353,
 &end
#
#  22 LEU  QD2   100 PHE  HZ      3.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 355, 356, 357,
 &end
#
#  22 LEU  QD2   100 PHE  QD      4.73  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 355, 356, 357,
 igr2=1590,1598,
 &end
#
#  22 LEU  QD2   100 PHE  QE      3.49  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 355, 356, 357,
 igr2=1592,1596,
 &end
#
#  22 LEU  QD2    23 MET  HN      5.00  (#SUP  0.48  #QF  0.48)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 355, 356, 357,
 &end
#
#  23 MET  HA     23 MET  QE      3.69  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  HA     23 MET  QG      3.96  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 368, 369,
 &end
#
#  23 MET  HA     26 TRP  HB2     3.92  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 420, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  23 MET  HA     26 TRP  HB3     4.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 421, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  23 MET  HA     26 TRP  HD1     3.61  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 424, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  23 MET  HA     26 TRP  HE1     5.50  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 MET  HA     26 TRP  HN      3.88  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  23 MET  HA     27 VAL  HN      4.69  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 440, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  23 MET  HA     27 VAL  QG1     4.44  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 446, 447, 448,
 &end
#
#  23 MET  HB2    23 MET  QE      4.03  (#SUP  0.87  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  HB2    24 ARG  HN      4.06  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 365, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  23 MET  HB3    23 MET  QE      4.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  HB3    24 ARG  HN      4.06  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  23 MET  HN    117 ILE  QD1     4.56  (#SUP  0.43  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1856,1857,1858,
 &end
#
#  23 MET  HN     23 MET  HB2     3.25  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  23 MET  HN     23 MET  HB3     3.25  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  23 MET  HN     23 MET  QB      2.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 365, 366,
 &end
#
#  23 MET  HN     23 MET  QE      3.89  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  HN     23 MET  QG      4.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 368, 369,
 &end
#
#  23 MET  HN     24 ARG  HN      3.71  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 378, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  23 MET  HN     26 TRP  HB2     5.07  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 420, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  23 MET  HN     26 TRP  HD1     4.74  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 424, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  23 MET  QB    117 ILE  QD1     2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 365, 366,
 igr2=1856,1857,1858,
 &end
#
#  23 MET  QB     23 MET  QE      3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 365, 366,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  QB     24 ARG  HN      3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 365, 366,
 &end
#
#  23 MET  QB     27 VAL  QG1     4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 365, 366,
 igr2= 446, 447, 448,
 &end
#
#  23 MET  QE     26 TRP  HD1     4.98  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 372, 373, 374,
 &end
#
#  23 MET  QE     27 VAL  QG1     4.33  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 372, 373, 374,
 igr2= 446, 447, 448,
 &end
#
#  23 MET  QG    117 ILE  QD1     3.39  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 368, 369,
 igr2=1856,1857,1858,
 &end
#
#  23 MET  QG     23 MET  QE      3.25  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 368, 369,
 igr2= 372, 373, 374,
 &end
#
#  23 MET  QG     24 ARG  HN      4.43  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 368, 369,
 &end
#
#  23 MET  QG     27 VAL  HB      5.50  (#SUP  0.98  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
#  23 MET  QG     27 VAL  QG1     4.12  (#SUP  0.97  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 368, 369,
 igr2= 446, 447, 448,
 &end
#
#  23 MET  QG     27 VAL  QG2     3.83  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 368, 369,
 igr2= 450, 451, 452,
 &end
#
#  24 ARG  HA    114 LEU  HB3     4.74  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,1803, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  24 ARG  HA    114 LEU  QD1     4.85  (#SUP  0.88  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2=1807,1808,1809,
 &end
#
#  24 ARG  HA    117 ILE  QD1     3.62  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1856,1857,1858,
 &end
#
#  24 ARG  HA    117 ILE  QG2     4.03  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1849,1850,1851,
 &end
#
#  24 ARG  HA     24 ARG  HE      4.82  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 380, 391, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  24 ARG  HA     24 ARG  QD      4.92 
 &rst
  ixpk= 1, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 388, 389,
 &end
#
#  24 ARG  HA     24 ARG  QG      3.41  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 385, 386,
 &end
#
#  24 ARG  HA     27 VAL  HN      4.27  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 440, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  24 ARG  HA     27 VAL  QG1     3.92  (#SUP  0.58  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 446, 447, 448,
 &end
#
#  24 ARG  HA     27 VAL  QG2     3.93  (#SUP  0.29  #QF  0.29)
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 450, 451, 452,
 &end
#
#  24 ARG  HA     28 CYX  HB2     5.45  (#SUP  0.98  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 460, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  24 ARG  HA     28 CYX  HN      4.45  (#SUP  0.52  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 456, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  24 ARG  HB2   114 LEU  HB2     4.68  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 382,1802, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  24 ARG  HB2   114 LEU  HB3     4.01  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1803, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  24 ARG  HB2   114 LEU  QD1     3.50  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1807,1808,1809,
 &end
#
#  24 ARG  HB2    24 ARG  HD2     3.79  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  24 ARG  HB2    24 ARG  HD3     3.79  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  24 ARG  HB2    24 ARG  HE      3.73  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 391, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  24 ARG  HB2    24 ARG  QD      3.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 388, 389,
 &end
#
#  24 ARG  HB3   114 LEU  HB2     4.39  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1802, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  24 ARG  HB3   114 LEU  HB3     4.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 383,1803, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  24 ARG  HB3   114 LEU  QD1     3.69  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1807,1808,1809,
 &end
#
#  24 ARG  HB3   117 ILE  QG2     4.66  (#SUP  0.91  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1849,1850,1851,
 &end
#
#  24 ARG  HB3    24 ARG  HD2     3.85  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  24 ARG  HB3    24 ARG  HD3     3.85  (#SUP  1.00  #QF  0.91)
 &rst
  ixpk= 1, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  24 ARG  HB3    24 ARG  HE      4.48  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  24 ARG  HE    114 LEU  HB2     4.48  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1802, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  24 ARG  HE    114 LEU  HB3     4.63  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 391,1803, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  24 ARG  HE    114 LEU  HN      5.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1798, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  24 ARG  HE    114 LEU  QD1     4.69  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1807,1808,1809,
 &end
#
#  24 ARG  HE    116 ASP  HA      4.21  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1833, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  24 ARG  HE    117 ILE  HG12    5.00  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ARG  HE    117 ILE  HN      4.46  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,1843, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  24 ARG  HE    117 ILE  QD1     4.87  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1856,1857,1858,
 &end
#
#  24 ARG  HN    117 ILE  HG12    4.47  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 378,1853, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  24 ARG  HN    117 ILE  QD1     3.83  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1856,1857,1858,
 &end
#
#  24 ARG  HN    117 ILE  QG2     4.78  (#SUP  0.79  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1849,1850,1851,
 &end
#
#  24 ARG  HN     24 ARG  HB2     3.04  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 382, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  24 ARG  HN     24 ARG  HB3     3.66  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 383, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  24 ARG  HN     24 ARG  HD2     4.54  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  24 ARG  HN     24 ARG  HD3     4.54  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  24 ARG  HN     24 ARG  HE      5.11  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 391, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  24 ARG  HN     24 ARG  QD      3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 388, 389,
 &end
#
#  24 ARG  HN     24 ARG  QG      4.18  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 385, 386,
 &end
#
#  24 ARG  HN     25 ASN  HN      3.38  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  24 ARG  HN     26 TRP  HD1     5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ARG  QD    114 LEU  HB2     4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 388, 389,
 &end
#
#  24 ARG  QD    114 LEU  QD1     3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 388, 389,
 igr2=1807,1808,1809,
 &end
#
#  24 ARG  QD    117 ILE  HG12    4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 388, 389,
 &end
#
#  24 ARG  QD    117 ILE  HG13    4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1854, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 388, 389,
 &end
#
#  24 ARG  QD    117 ILE  QD1     3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 388, 389,
 igr2=1856,1857,1858,
 &end
#
#  24 ARG  QD     24 ARG  QH1     3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 388, 389,
 igr2= 394, 395,
 &end
#
#  24 ARG  QG    117 ILE  HG12    4.07  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 385, 386,
 &end
#
#  24 ARG  QG    117 ILE  HG13    4.71  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1854, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 385, 386,
 &end
#
#  24 ARG  QG    117 ILE  QD1     3.59  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 385, 386,
 igr2=1856,1857,1858,
 &end
#
#  24 ARG  QG    117 ILE  QG2     4.34  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 385, 386,
 igr2=1849,1850,1851,
 &end
#
#  24 ARG  QG     24 ARG  HE      3.71  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 385, 386,
 &end
#
#  24 ARG  QH1   114 LEU  HN      5.34 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 394, 395,
 &end
#
#  25 ASN  HA    106 TRP  HD1     4.83  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1684, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  25 ASN  HA    106 TRP  HE1     4.23  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 404,1686, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  25 ASN  HA    114 LEU  QD1     3.38  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1807,1808,1809,
 &end
#
#  25 ASN  HA    114 LEU  QD2     3.39  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1811,1812,1813,
 &end
#
#  25 ASN  HA     25 ASN  QD2     4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 411, 412,
 &end
#
#  25 ASN  HA     28 CYX  HB2     4.07  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 460, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  25 ASN  HA     28 CYX  HB3     3.52  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 461, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  25 ASN  HA     28 CYX  HN      3.92  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 456, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  25 ASN  HA     29 LEU  HN      4.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 466, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  25 ASN  HB2   100 PHE  HZ      4.51  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1594, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  25 ASN  HB2   100 PHE  QE      4.46  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1592,1596,
 &end
#
#  25 ASN  HB2   106 TRP  HE1     4.57  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 406,1686, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  25 ASN  HB2    25 ASN  QD2     3.52 
 &rst
  ixpk= 1, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 411, 412,
 &end
#
#  25 ASN  HB2    26 TRP  HD1     4.95  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 424, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  25 ASN  HB2    26 TRP  HN      3.53  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  25 ASN  HB3   100 PHE  HZ      4.70  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1594, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  25 ASN  HB3   100 PHE  QE      4.32  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1592,1596,
 &end
#
#  25 ASN  HB3   106 TRP  HE1     3.87  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1686, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  25 ASN  HB3   106 TRP  HZ2     5.30  (#SUP  0.81  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1689, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  25 ASN  HB3    26 TRP  HN      3.97  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 416, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  25 ASN  HD21  114 LEU  QD2     5.06  (#SUP  0.56  #QF  0.24)
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1811,1812,1813,
 &end
#
#  25 ASN  HD22  114 LEU  QD2     5.06  (#SUP  0.56  #QF  0.24)
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1811,1812,1813,
 &end
#
#  25 ASN  HN    114 LEU  QD1     3.79  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1807,1808,1809,
 &end
#
#  25 ASN  HN     25 ASN  HB2     3.07  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#  25 ASN  HN     26 TRP  HN      3.30  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  25 ASN  QD2   114 LEU  QD1     3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 411, 412,
 igr2=1807,1808,1809,
 &end
#
#  25 ASN  QD2   114 LEU  QD2     4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 411, 412,
 igr2=1811,1812,1813,
 &end
#
#  25 ASN  QD2    26 TRP  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 411, 412,
 &end
#
#  26 TRP  HA    100 PHE  QE      4.94  (#SUP  0.98  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1592,1596,
 &end
#
#  26 TRP  HA     26 TRP  HE3     3.22  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 435, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  26 TRP  HA     26 TRP  HZ3     5.14  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 433, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  26 TRP  HA     27 VAL  HA      5.04  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  26 TRP  HA     27 VAL  QG2     5.50  (#SUP  0.85  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 450, 451, 452,
 &end
#
#  26 TRP  HA     29 LEU  HB2     4.09  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 470, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  26 TRP  HA     29 LEU  HB3     4.09  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 471, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  26 TRP  HA     29 LEU  HN      4.95  (#SUP  0.88  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  26 TRP  HA     29 LEU  QB      3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 470, 471,
 &end
#
#  26 TRP  HA     29 LEU  QD1     4.51  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 475, 476, 477,
 &end
#
#  26 TRP  HA     29 LEU  QD2     4.08  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 479, 480, 481,
 &end
#
#  26 TRP  HA     30 VAL  HN      4.52  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 485, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  26 TRP  HA     30 VAL  QG2     4.72  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 495, 496, 497,
 &end
#
#  26 TRP  HB2    26 TRP  HD1     3.72  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  26 TRP  HB2    26 TRP  HE1     5.03  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 426, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  26 TRP  HB2    27 VAL  HN      3.44  (#SUP  0.96  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 440, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  26 TRP  HB2    27 VAL  QG1     4.64  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 446, 447, 448,
 &end
#
#  26 TRP  HB2    27 VAL  QG2     4.74  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 450, 451, 452,
 &end
#
#  26 TRP  HB3    26 TRP  HE3     3.72  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  26 TRP  HB3    27 VAL  HA      4.84  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  26 TRP  HB3    27 VAL  HN      4.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 440, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  26 TRP  HB3    27 VAL  QG1     4.47  (#SUP  0.99  #QF  0.24)
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 446, 447, 448,
 &end
#
#  26 TRP  HB3    30 VAL  QG2     4.67  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 495, 496, 497,
 &end
#
#  26 TRP  HB3    54 PHE  QE      5.09  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 856, 860,
 &end
#
#  26 TRP  HD1   100 PHE  HZ      5.19  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,1594, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  26 TRP  HE1   100 PHE  HZ      5.32  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 426,1594, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  26 TRP  HE1   100 PHE  QE      5.06  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1592,1596,
 &end
#
#  26 TRP  HE3   100 PHE  QE      4.94  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1592,1596,
 &end
#
#  26 TRP  HE3    29 LEU  QB      4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 470, 471,
 &end
#
#  26 TRP  HE3    29 LEU  QD1     4.03  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 475, 476, 477,
 &end
#
#  26 TRP  HE3    29 LEU  QD2     3.54  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 479, 480, 481,
 &end
#
#  26 TRP  HE3    30 VAL  HN      4.95  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  26 TRP  HE3    30 VAL  QG2     3.83  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 495, 496, 497,
 &end
#
#  26 TRP  HE3    54 PHE  QD      4.29  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 854, 862,
 &end
#
#  26 TRP  HE3    54 PHE  QE      3.67  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 856, 860,
 &end
#
#  26 TRP  HE3    91 ALA  QB      5.25  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1405,1406,1407,
 &end
#
#  26 TRP  HH2   103 TRP  HH2     3.77  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1639, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  26 TRP  HH2   103 TRP  HZ2     4.80  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  26 TRP  HH2   103 TRP  HZ3     4.75  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1641, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  26 TRP  HH2    91 ALA  QB      3.85  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1405,1406,1407,
 &end
#
#  26 TRP  HH2    92 LYS  HA      4.45  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1413, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  26 TRP  HH2    95 TYR  HN      4.75  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,1474, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  26 TRP  HH2    95 TYR  QB      3.71  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1478,1479,
 &end
#
#  26 TRP  HN    100 PHE  HZ      4.73  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 416,1594, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  26 TRP  HN    100 PHE  QE      4.85  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1592,1596,
 &end
#
#  26 TRP  HN     26 TRP  HB2     3.19  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  26 TRP  HN     26 TRP  HB3     3.55  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  26 TRP  HN     26 TRP  HD1     3.96  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  26 TRP  HN     26 TRP  HE3     5.29  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  26 TRP  HN     27 VAL  HN      3.73  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 440, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  26 TRP  HN     27 VAL  QG1     4.53  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 446, 447, 448,
 &end
#
#  26 TRP  HZ2   100 PHE  QE      5.48  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1592,1596,
 &end
#
#  26 TRP  HZ2   103 TRP  HH2     5.49  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1639, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  26 TRP  HZ2   103 TRP  HZ3     5.31  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1641, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  26 TRP  HZ2    92 LYS  HA      4.36  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1413, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  26 TRP  HZ2    92 LYS  QB      5.50  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1415,1416,
 &end
#
#  26 TRP  HZ2    92 LYS  QD      4.84  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1421,1422,
 &end
#
#  26 TRP  HZ2    92 LYS  QE      4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1424,1425,
 &end
#
#  26 TRP  HZ2    95 TYR  HN      5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 TRP  HZ2    95 TYR  QB      3.47  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1478,1479,
 &end
#
#  26 TRP  HZ2    95 TYR  QD      5.26  (#SUP  0.97  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1482,1491,
 &end
#
#  26 TRP  HZ3   103 TRP  HH2     4.47  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,1639, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  26 TRP  HZ3   103 TRP  HZ2     4.67  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,1637, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  26 TRP  HZ3   103 TRP  HZ3     4.22  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,1641, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  26 TRP  HZ3    29 LEU  QD2     3.90  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 479, 480, 481,
 &end
#
#  26 TRP  HZ3    30 VAL  QG2     4.35  (#SUP  0.97  #QF  0.53)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 495, 496, 497,
 &end
#
#  26 TRP  HZ3    54 PHE  QD      3.73  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 854, 862,
 &end
#
#  26 TRP  HZ3    54 PHE  QE      4.04  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 856, 860,
 &end
#
#  26 TRP  HZ3    91 ALA  QB      3.85  (#SUP  0.99  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1405,1406,1407,
 &end
#
#  27 VAL  HA     27 VAL  QG1     3.00  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 446, 447, 448,
 &end
#
#  27 VAL  HA     27 VAL  QG2     3.25  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 450, 451, 452,
 &end
#
#  27 VAL  HA     31 GLU  HN      4.07  (#SUP  1.00  #QF  0.78)
 &rst
  ixpk= 1, nxpk= 0, iat= 442, 501, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  27 VAL  HA     31 GLU  QG      4.50 
 &rst
  ixpk= 1, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 508, 509,
 &end
#
#  27 VAL  HA     36 ARG  HG2     4.99  (#SUP  0.21  #QF  0.21)
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 577, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  27 VAL  HB     28 CYX  HN      4.05  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  27 VAL  HN    117 ILE  QG2     5.46  (#SUP  0.79  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1849,1850,1851,
 &end
#
#  27 VAL  HN     27 VAL  HB      3.80  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  27 VAL  HN     27 VAL  QG1     3.09  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 446, 447, 448,
 &end
#
#  27 VAL  HN     27 VAL  QG2     3.75  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 450, 451, 452,
 &end
#
#  27 VAL  HN     28 CYX  HN      3.32  (#SUP  0.98  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 456, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  27 VAL  QG1    28 CYX  HB2     5.50  (#SUP  0.53  #QF  0.29)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 446, 447, 448,
 &end
#
#  27 VAL  QG1    28 CYX  HN      4.09  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 446, 447, 448,
 &end
#
#  27 VAL  QG1    31 GLU  QG      4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 446, 447, 448,
 igr2= 508, 509,
 &end
#
#  27 VAL  QG2   115 PRO  HA      5.50  (#SUP  0.85  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2   115 PRO  HD2     4.15  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1818, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2   115 PRO  HG2     3.53  (#SUP  0.99  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1821, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2   115 PRO  HG3     3.53  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2   115 PRO  QG      3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 450, 451, 452,
 igr2=1821,1822,
 &end
#
#  27 VAL  QG2    28 CYX  HB2     4.29  (#SUP  0.89  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2    28 CYX  HN      3.68  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2    29 LEU  HN      5.22  (#SUP  0.90  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2    31 GLU  HN      4.78  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 450, 451, 452,
 &end
#
#  27 VAL  QG2    31 GLU  QG      4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 450, 451, 452,
 igr2= 508, 509,
 &end
#
#  28 CYX  HA    115 PRO  HD2     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 458,1818, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  28 CYX  HA    115 PRO  HD3     4.46  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 458,1819, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  28 CYX  HA    115 PRO  QG      4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1821,1822,
 &end
#
#  28 CYX  HA     30 VAL  HN      5.10  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 485, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  28 CYX  HA     31 GLU  HB2     3.75  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 505, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  28 CYX  HA     31 GLU  HB3     4.62  (#SUP  0.98  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 506, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  28 CYX  HA     31 GLU  HN      4.11  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 501, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  28 CYX  HB2   114 LEU  HA      4.47  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 460,1800, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  28 CYX  HB2   114 LEU  HB3     4.93  (#SUP  0.98  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat= 460,1803, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  28 CYX  HB2   114 LEU  QD2     3.74  (#SUP  0.67  #QF  0.34)
 &rst
  ixpk= 0, nxpk= 0, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,1813,
 &end
#
#  28 CYX  HB2   115 PRO  HD2     3.45  (#SUP  0.97  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 460,1818, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  28 CYX  HB2   115 PRO  HD3     3.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 460,1819, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  28 CYX  HB2   115 PRO  QG      3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1821,1822,
 &end
#
#  28 CYX  HB2    29 LEU  HN      4.96  (#SUP  1.00  #QF  0.96)
 &rst
  ixpk= 1, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  28 CYX  HB3   114 LEU  HA      4.88  (#SUP  0.44  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat= 461,1800, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  28 CYX  HB3   114 LEU  HB3     5.38  (#SUP  0.98  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat= 461,1803, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  28 CYX  HB3   114 LEU  QD1     4.68  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1807,1808,1809,
 &end
#
#  28 CYX  HB3   114 LEU  QD2     3.41  (#SUP  0.67  #QF  0.34)
 &rst
  ixpk= 0, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1811,1812,1813,
 &end
#
#  28 CYX  HB3    29 LEU  HN      3.72  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  28 CYX  HN    114 LEU  QD2     4.47  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1811,1812,1813,
 &end
#
#  28 CYX  HN    115 PRO  HD2     4.54  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 456,1818, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  28 CYX  HN    115 PRO  HD3     5.33  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 456,1819, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  28 CYX  HN    115 PRO  QG      4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1821,1822,
 &end
#
#  28 CYX  HN     28 CYX  HB2     3.44  (#SUP  0.97  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  28 CYX  HN     28 CYX  HB3     2.99  (#SUP  0.97  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  28 CYX  HN     29 LEU  HN      3.51  (#SUP  0.98  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  28 CYX  HN     29 LEU  QB      5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 470, 471,
 &end
#
#  29 LEU  HA    106 TRP  HB2     4.42  (#SUP  0.88  #QF  0.45)
 &rst
  ixpk= 0, nxpk= 0, iat= 468,1680, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  29 LEU  HA    106 TRP  HD1     4.42  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 468,1684, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  29 LEU  HA    106 TRP  HN      4.99  (#SUP  0.44  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat= 468,1676, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  29 LEU  HA     29 LEU  HG      3.61  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  29 LEU  HA     29 LEU  QD1     4.10  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 475, 476, 477,
 &end
#
#  29 LEU  HA     29 LEU  QD2     4.31  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 479, 480, 481,
 &end
#
#  29 LEU  HA     30 VAL  HA      5.14  (#SUP  0.67  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 487, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  29 LEU  HA     32 HIS  HN      4.51  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 516, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  29 LEU  HA     32 HIS  QB      4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 520, 521,
 &end
#
#  29 LEU  HA     33 GLU  HN      4.92  (#SUP  0.58  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 533, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  29 LEU  HA     33 GLU  QG      4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 540, 541,
 &end
#
#  29 LEU  HB2   106 TRP  HD1     4.39  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 470,1684, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  29 LEU  HB2    29 LEU  QD1     3.72  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 475, 476, 477,
 &end
#
#  29 LEU  HB2    29 LEU  QD2     4.01  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 479, 480, 481,
 &end
#
#  29 LEU  HB2    30 VAL  HN      4.22  (#SUP  0.97  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 LEU  HB3   106 TRP  HD1     4.39  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 471,1684, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  29 LEU  HB3    29 LEU  QD1     3.72  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 475, 476, 477,
 &end
#
#  29 LEU  HB3    29 LEU  QD2     4.01  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 479, 480, 481,
 &end
#
#  29 LEU  HB3    30 VAL  HN      4.22  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 LEU  HG    103 TRP  HB2     4.68  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1628, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  29 LEU  HG    103 TRP  HB3     4.39  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  29 LEU  HG    103 TRP  HD1     5.10  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1632, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  29 LEU  HG    106 TRP  HB2     3.80  (#SUP  0.97  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1680, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  29 LEU  HG    106 TRP  HB3     5.02  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1681, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  29 LEU  HG    106 TRP  HN      4.24  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat= 473,1676, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  29 LEU  HG     33 GLU  HG2     4.86  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 540, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  29 LEU  HG     33 GLU  HG3     4.86  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 541, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  29 LEU  HG     33 GLU  QG      4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 540, 541,
 &end
#
#  29 LEU  HN    106 TRP  HD1     4.68  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1684, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  29 LEU  HN     29 LEU  HB2     3.62  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  29 LEU  HN     29 LEU  HB3     3.62  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  29 LEU  HN     29 LEU  HG      4.87  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  29 LEU  HN     29 LEU  QD1     4.73  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 475, 476, 477,
 &end
#
#  29 LEU  HN     29 LEU  QD2     4.77  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 479, 480, 481,
 &end
#
#  29 LEU  HN     30 VAL  QG2     5.50  (#SUP  0.90  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 495, 496, 497,
 &end
#
#  29 LEU  QB    106 TRP  HB2     4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 470, 471,
 &end
#
#  29 LEU  QB    106 TRP  HD1     3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 470, 471,
 &end
#
#  29 LEU  QB     29 LEU  QD2     3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 470, 471,
 igr2= 479, 480, 481,
 &end
#
#  29 LEU  QB     30 VAL  HN      3.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 470, 471,
 &end
#
#  29 LEU  QD1   100 PHE  HA      4.65  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   100 PHE  QD      3.43  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 475, 476, 477,
 igr2=1590,1598,
 &end
#
#  29 LEU  QD1   100 PHE  QE      3.98  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 475, 476, 477,
 igr2=1592,1596,
 &end
#
#  29 LEU  QD1   103 TRP  HB2     4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   103 TRP  HB3     4.08  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   103 TRP  HD1     5.16  (#SUP  0.99  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   103 TRP  HE3     4.09  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   103 TRP  HN      4.65  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   103 TRP  HZ3     4.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   106 TRP  HA      4.83  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   106 TRP  HB2     3.85  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   106 TRP  HB3     4.32  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1   106 TRP  HD1     4.52  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1684, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD1    30 VAL  HN      5.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 475, 476, 477,
 &end
#
#  29 LEU  QD2   103 TRP  HB2     4.55  (#SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2   103 TRP  HB3     4.26  (#SUP  0.99  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2   103 TRP  HD1     4.03  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2   103 TRP  HE1     4.62  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2   103 TRP  HZ2     4.97  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2   106 TRP  HA      5.48  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    30 VAL  HA      3.39  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    30 VAL  HN      3.73  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    30 VAL  QG2     3.34  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 479, 480, 481,
 igr2= 495, 496, 497,
 &end
#
#  29 LEU  QD2    33 GLU  HG2     3.98  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    33 GLU  HG3     3.98  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    33 GLU  HN      5.06  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    33 GLU  QG      3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 479, 480, 481,
 igr2= 540, 541,
 &end
#
#  29 LEU  QD2    54 PHE  HA      4.41  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    54 PHE  HB2     5.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    54 PHE  HB3     4.73  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 479, 480, 481,
 &end
#
#  29 LEU  QD2    54 PHE  QD      3.42  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 479, 480, 481,
 igr2= 854, 862,
 &end
#
#  30 VAL  HA     30 VAL  QG2     2.71  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 495, 496, 497,
 &end
#
#  30 VAL  HA     33 GLU  HG2     4.98  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 540, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  30 VAL  HA     33 GLU  HG3     4.98  (#SUP  0.97  #QF  0.45)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 541, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  30 VAL  HA     33 GLU  HN      4.16  (#SUP  0.55  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 533, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  30 VAL  HA     33 GLU  QG      4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 540, 541,
 &end
#
#  30 VAL  HA     34 SER  HN      4.03  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 548, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  30 VAL  HA     34 SER  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 552, 553,
 &end
#
#  30 VAL  HA     53 LEU  HG      4.94  (#SUP  0.51  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 834, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  30 VAL  HA     54 PHE  HA      4.69  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 848, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  30 VAL  HB     31 GLU  HN      3.87  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  30 VAL  HN     30 VAL  HB      2.97  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  30 VAL  HN     30 VAL  QG2     3.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 495, 496, 497,
 &end
#
#  30 VAL  HN     31 GLU  HN      3.38  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  30 VAL  HN     31 GLU  QG      4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 508, 509,
 &end
#
#  30 VAL  HN     32 HIS  HN      4.54  (#SUP  0.95  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 516, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  30 VAL  QG1    31 GLU  HA      4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    31 GLU  HN      4.43  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    31 GLU  QG      4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 491, 492, 493,
 igr2= 508, 509,
 &end
#
#  30 VAL  QG1    33 GLU  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 491, 492, 493,
 igr2= 540, 541,
 &end
#
#  30 VAL  QG1    34 SER  HB2     4.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    34 SER  HB3     4.91  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    34 SER  HN      4.02  (#SUP  1.00  #QF  0.91)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    34 SER  QB      4.20 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 491, 492, 493,
 igr2= 552, 553,
 &end
#
#  30 VAL  QG1    35 SER  HN      4.60  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HA      3.12  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HB2     5.08  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HB3     4.62  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HG2     3.85  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HG3     4.24  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    36 ARG  HN      3.28  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    53 LEU  HA      4.29  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    53 LEU  HG      3.25  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 491, 492, 493,
 &end
#
#  30 VAL  QG1    53 LEU  QD2     3.13  (#SUP  0.59  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 491, 492, 493,
 igr2= 840, 841, 842,
 &end
#
#  30 VAL  QG2    31 GLU  HN      4.09  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 495, 496, 497,
 &end
#
#  30 VAL  QG2    53 LEU  QD2     3.05  (#SUP  0.44  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 495, 496, 497,
 igr2= 840, 841, 842,
 &end
#
#  30 VAL  QG2    54 PHE  HA      4.60  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 495, 496, 497,
 &end
#
#  30 VAL  QG2    54 PHE  HB3     4.75  (#SUP  0.99  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 495, 496, 497,
 &end
#
#  30 VAL  QG2    54 PHE  HN      4.84  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 495, 496, 497,
 &end
#
#  30 VAL  QG2    54 PHE  QD      3.54  (#SUP  1.00  #QF  0.96)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 495, 496, 497,
 igr2= 854, 862,
 &end
#
#  30 VAL  QG2    54 PHE  QE      3.54  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 495, 496, 497,
 igr2= 856, 860,
 &end
#
#  31 GLU  HA     31 GLU  HG2     3.57  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  31 GLU  HA     31 GLU  HG3     3.57  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 509, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  31 GLU  HA     31 GLU  QG      2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 508, 509,
 &end
#
#  31 GLU  HA     32 HIS  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 520, 521,
 &end
#
#  31 GLU  HA     33 GLU  HN      4.86  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 533, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  31 GLU  HA     34 SER  HN      4.58  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 503, 548, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  31 GLU  HA     35 SER  HA      3.41  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 503, 561, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  31 GLU  HA     35 SER  HN      3.61  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 559, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  31 GLU  HA     35 SER  QB      4.41  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 563, 564,
 &end
#
#  31 GLU  HA     36 ARG  HA      4.91  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 572, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  31 GLU  HA     36 ARG  HG2     3.83  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 577, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  31 GLU  HA     36 ARG  HG3     4.02  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 578, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  31 GLU  HA     36 ARG  HN      3.74  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 570, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  31 GLU  HA     37 ASP  HN      5.50  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 503, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 GLU  HB3    31 GLU  QG      2.59 
 &rst
  ixpk= 1, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
 igr2= 508, 509,
 &end
#
#  31 GLU  HB3    32 HIS  HA      5.17  (#SUP  0.98  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 518, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  31 GLU  HB3    32 HIS  HN      4.04  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 516, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  31 GLU  HB3    35 SER  HA      4.83  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 561, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  31 GLU  HB3    35 SER  HN      5.38  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  31 GLU  HB3    35 SER  QB      5.37  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 563, 564,
 &end
#
#  31 GLU  HG2    36 ARG  HG2     4.39  (#SUP  0.96  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  31 GLU  HG2    36 ARG  HG3     4.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 508, 578, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  31 GLU  HG2    36 ARG  HN      5.14  (#SUP  0.53  #QF  0.53)
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 570, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  31 GLU  HG3    36 ARG  HG2     4.39  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 509, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  31 GLU  HG3    36 ARG  HG3     4.24  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 578, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  31 GLU  HG3    36 ARG  HN      5.14  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 570, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  31 GLU  HN     31 GLU  HB2     2.83  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#  31 GLU  HN     31 GLU  HB3     3.71  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  31 GLU  HN     31 GLU  QG      3.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 508, 509,
 &end
#
#  31 GLU  HN     32 HIS  HN      3.42  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 516, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  31 GLU  HN     32 HIS  QB      4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 520, 521,
 &end
#
#  31 GLU  HN     36 ARG  HG2     4.76  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 501, 577, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  31 GLU  HN     36 ARG  HG3     5.06  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 578, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  31 GLU  QG     32 HIS  HN      4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     35 SER  HA      4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     35 SER  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HA      5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HB2     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HE      4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HG2     3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HG3     3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  HN      4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 508, 509,
 &end
#
#  31 GLU  QG     36 ARG  QD      3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 508, 509,
 igr2= 580, 581,
 &end
#
#  32 HIS  HA     32 HIS  HD2     4.43  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 529, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  32 HIS  HB2   105 GLY  HA2     5.50  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 520,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 HIS  HB2   105 GLY  HA3     5.50  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 520,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 HIS  HB3   105 GLY  HA2     5.50  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 521,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 HIS  HB3   105 GLY  HA3     5.50  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 521,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 HIS  HD2   105 GLY  QA      4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1671,1672,
 &end
#
#  32 HIS  HN     32 HIS  HB2     3.59  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 520, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  32 HIS  HN     32 HIS  HB3     3.59  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  32 HIS  HN     32 HIS  HD2     4.63  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 529, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  32 HIS  HN     32 HIS  QB      3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 520, 521,
 &end
#
#  32 HIS  HN     33 GLU  HN      3.36  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 533, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  32 HIS  HN     34 SER  HN      4.97  (#SUP  0.95  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 548, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  32 HIS  QB    105 GLY  QA      3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 520, 521,
 igr2=1671,1672,
 &end
#
#  32 HIS  QB    109 HIS  HD2     4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 520, 521,
 &end
#
#  32 HIS  QB    109 HIS  QB      4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 520, 521,
 igr2=1740,1741,
 &end
#
#  32 HIS  QB     33 GLU  HN      4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 520, 521,
 &end
#
#  32 HIS  QB     33 GLU  QB      4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 520, 521,
 igr2= 537, 538,
 &end
#
#  33 GLU  HA     33 GLU  QG      3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 540, 541,
 &end
#
#  33 GLU  HG2   103 TRP  HD1     4.29  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1632, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  33 GLU  HG3   103 TRP  HD1     4.29  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 541,1632, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  33 GLU  HN     33 GLU  HG2     4.40  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  33 GLU  HN     33 GLU  HG3     4.40  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  33 GLU  HN     33 GLU  QB      3.36  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 537, 538,
 &end
#
#  33 GLU  HN     33 GLU  QG      3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 540, 541,
 &end
#
#  33 GLU  HN     34 SER  HN      3.27  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  33 GLU  HN     35 SER  HN      3.99  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 559, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  33 GLU  HN     36 ARG  HN      5.30  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 570, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  33 GLU  QB    103 TRP  HD1     4.16  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 537, 538,
 &end
#
#  33 GLU  QB    103 TRP  HE1     4.99  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 537, 538,
 &end
#
#  33 GLU  QB     34 SER  HN      3.18  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 537, 538,
 &end
#
#  33 GLU  QB     34 SER  QB      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 537, 538,
 igr2= 552, 553,
 &end
#
#  33 GLU  QB     54 PHE  HA      4.69  (#SUP  0.38  #QF  0.38)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 537, 538,
 &end
#
#  33 GLU  QG    103 TRP  HB3     4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 540, 541,
 &end
#
#  33 GLU  QG    103 TRP  HD1     3.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1632, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 540, 541,
 &end
#
#  33 GLU  QG    103 TRP  HE1     4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 540, 541,
 &end
#
#  33 GLU  QG     34 SER  HN      4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 540, 541,
 &end
#
#  34 SER  HA     40 LYS  HG2     4.40  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 638, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  34 SER  HA     40 LYS  HG3     4.40  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 639, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  34 SER  HA     40 LYS  QG      3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 638, 639,
 &end
#
#  34 SER  HA     55 GLN  QG      4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 873, 874,
 &end
#
#  34 SER  HB2    36 ARG  HN      4.91  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  34 SER  HB2    37 ASP  HN      4.11  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 594, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  34 SER  HB2    40 LYS  HB3     4.56  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  34 SER  HB2    53 LEU  HA      3.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 829, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  34 SER  HB3    36 ARG  HN      4.91  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  34 SER  HB3    37 ASP  HN      4.11  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 594, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  34 SER  HB3    40 LYS  HB3     4.56  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  34 SER  HB3    53 LEU  HA      3.81  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 829, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  34 SER  HN     34 SER  QB      3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 552, 553,
 &end
#
#  34 SER  HN     35 SER  HA      4.31  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 548, 561, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  34 SER  HN     35 SER  HN      2.90  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 548, 559, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  34 SER  HN     36 ARG  HN      4.01  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 548, 570, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  34 SER  HN     53 LEU  HA      4.93  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 829, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  34 SER  HN     55 GLN  HB2     5.50  (#SUP  0.77  #QF  0.22)
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  34 SER  QB     36 ARG  HN      4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     37 ASP  HN      3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     37 ASP  QB      4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 552, 553,
 igr2= 598, 599,
 &end
#
#  34 SER  QB     40 LYS  HB2     4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     40 LYS  HB3     3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     53 LEU  HA      3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     53 LEU  QD1     4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 552, 553,
 igr2= 836, 837, 838,
 &end
#
#  34 SER  QB     55 GLN  HB2     5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     55 GLN  HN      4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 552, 553,
 &end
#
#  34 SER  QB     55 GLN  QE2     3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 552, 553,
 igr2= 878, 879,
 &end
#
#  34 SER  QB     55 GLN  QG      4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 552, 553,
 igr2= 873, 874,
 &end
#
#  35 SER  HA     35 SER  QB      2.90  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 563, 564,
 &end
#
#  35 SER  HA     36 ARG  HA      5.05  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  35 SER  HA     36 ARG  HG2     4.58  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 577, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  35 SER  HA     36 ARG  HN      3.54  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 570, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  35 SER  HA     37 ASP  HN      4.88  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 594, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  35 SER  HN     35 SER  HA      2.79  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#  35 SER  HN     35 SER  QB      3.52  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 563, 564,
 &end
#
#  35 SER  HN     36 ARG  HA      5.02  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 559, 572, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  35 SER  HN     36 ARG  HG3     5.01  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  35 SER  HN     36 ARG  HN      3.39  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 559, 570, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  35 SER  HN     37 ASP  HN      4.92  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 594, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  35 SER  QB     36 ARG  HB2     4.85  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 563, 564,
 &end
#
#  35 SER  QB     36 ARG  HG2     5.39  (#SUP  0.34  #QF  0.34)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 563, 564,
 &end
#
#  35 SER  QB     36 ARG  HN      4.23  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 563, 564,
 &end
#
#  35 SER  QB     37 ASP  HN      4.33  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 563, 564,
 &end
#
#  35 SER  QB     37 ASP  QB      4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 563, 564,
 igr2= 598, 599,
 &end
#
#  36 ARG  HA     36 ARG  HG2     4.11  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 572, 577, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  36 ARG  HA     36 ARG  HG3     3.79  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 572, 578, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  36 ARG  HA     36 ARG  QD      5.28 
 &rst
  ixpk= 1, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 580, 581,
 &end
#
#  36 ARG  HA     37 ASP  HN      3.16  (#SUP  0.95  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 594, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  36 ARG  HA     53 LEU  HA      5.50  (#SUP  0.89  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  36 ARG  HA     53 LEU  QD1     3.40  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 836, 837, 838,
 &end
#
#  36 ARG  HA     53 LEU  QD2     3.86  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 840, 841, 842,
 &end
#
#  36 ARG  HB2    36 ARG  HE      4.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 583, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  36 ARG  HB2    53 LEU  QD1     5.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 836, 837, 838,
 &end
#
#  36 ARG  HB3    36 ARG  HD2     4.15  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  36 ARG  HB3    36 ARG  HD3     4.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  36 ARG  HB3    36 ARG  HE      4.70  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  36 ARG  HB3    36 ARG  QD      3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 580, 581,
 &end
#
#  36 ARG  HB3    37 ASP  HN      4.94  (#SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1, nxpk= 0, iat= 575, 594, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  36 ARG  HB3    53 LEU  QD1     4.61  (#SUP  0.94  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 836, 837, 838,
 &end
#
#  36 ARG  HG2    37 ASP  HN      5.38  (#SUP  0.54  #QF  0.32)
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 594, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  36 ARG  HN     36 ARG  HA      2.86  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 572, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  36 ARG  HN     36 ARG  HB3     4.11  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  36 ARG  HN     36 ARG  HG2     3.95  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 577, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  36 ARG  HN     36 ARG  HG3     3.88  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 578, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  36 ARG  HN     53 LEU  HA      5.41  (#SUP  0.58  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 829, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  36 ARG  HN     53 LEU  QD1     4.16  (#SUP  0.84  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 836, 837, 838,
 &end
#
#  36 ARG  HN     53 LEU  QD2     4.45  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 840, 841, 842,
 &end
#
#  36 ARG  QD     36 ARG  QH1     3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 580, 581,
 igr2= 586, 587,
 &end
#
#  36 ARG  QD     36 ARG  QH2     3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 580, 581,
 igr2= 589, 590,
 &end
#
#  37 ASP  HA     38 THR  HA      4.59  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 608, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  37 ASP  HA     38 THR  HN      2.69  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#  37 ASP  HA     38 THR  QG2     4.19  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 612, 613, 614,
 &end
#
#  37 ASP  HA     39 SER  HN      4.00  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  37 ASP  HA     40 LYS  HN      4.99  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 631, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  37 ASP  HB2    38 THR  HN      4.67  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 598, 606, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  37 ASP  HB2    39 SER  HN      4.83  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 598, 620, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  37 ASP  HB2    40 LYS  HB2     4.17  (#SUP  0.96  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 635, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  37 ASP  HB3    38 THR  HN      4.67  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  37 ASP  HB3    39 SER  HN      4.83  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 620, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  37 ASP  HB3    40 LYS  HB2     4.17  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 635, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  37 ASP  HN     37 ASP  HB2     3.87  (#SUP  0.95  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  37 ASP  HN     37 ASP  HB3     3.87  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 599, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  37 ASP  HN     37 ASP  QB      3.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 598, 599,
 &end
#
#  37 ASP  HN     38 THR  HN      4.31  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 594, 606, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  37 ASP  HN     38 THR  QG2     5.50  (#SUP  0.54  #QF  0.32)
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 612, 613, 614,
 &end
#
#  37 ASP  HN     39 SER  HN      5.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  37 ASP  HN     40 LYS  HB2     5.18  (#SUP  1.00  #QF  0.88)
 &rst
  ixpk= 1, nxpk= 0, iat= 594, 635, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  37 ASP  HN     40 LYS  HB3     4.95  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 636, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  37 ASP  HN     53 LEU  HA      4.56  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 829, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  37 ASP  HN     53 LEU  QD1     3.84  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 836, 837, 838,
 &end
#
#  37 ASP  HN     53 LEU  QD2     4.59  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 840, 841, 842,
 &end
#
#  37 ASP  QB     40 LYS  HA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 598, 599,
 &end
#
#  37 ASP  QB     40 LYS  HB2     3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 598, 599,
 &end
#
#  37 ASP  QB     40 LYS  HB3     4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 598, 599,
 &end
#
#  37 ASP  QB     40 LYS  HN      3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 598, 599,
 &end
#
#  37 ASP  QB     40 LYS  QG      4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 598, 599,
 igr2= 638, 639,
 &end
#
#  37 ASP  QB     53 LEU  HA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 598, 599,
 &end
#
#  38 THR  HA     38 THR  QG2     3.14  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 612, 613, 614,
 &end
#
#  38 THR  HA     40 LYS  HB2     5.48  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 635, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  38 THR  HA     53 LEU  HB2     3.50  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 THR  HA     53 LEU  HB3     5.05  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  38 THR  HA     53 LEU  HN      3.55  (#SUP  0.23  #QF  0.23)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 827, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  38 THR  HA     53 LEU  QD1     3.79  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 836, 837, 838,
 &end
#
#  38 THR  HA     53 LEU  QD2     4.80  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 840, 841, 842,
 &end
#
#  38 THR  HA     80 LEU  QD2     4.33  (#SUP  0.64  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1250,1251,1252,
 &end
#
#  38 THR  HA     84 ILE  QG2     5.12  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1300,1301,1302,
 &end
#
#  38 THR  HB     39 SER  HN      4.41  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 620, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  38 THR  HB     53 LEU  HB2     5.46  (#SUP  0.99  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 831, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  38 THR  HB     53 LEU  QD1     4.57  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 836, 837, 838,
 &end
#
#  38 THR  HB     80 LEU  HA      4.33  (#SUP  0.97  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 610,1239, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  38 THR  HB     80 LEU  QD2     4.20  (#SUP  0.30  #QF  0.30)
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1250,1251,1252,
 &end
#
#  38 THR  HB     81 THR  HN      4.88  (#SUP  0.55  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat= 610,1256, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  38 THR  HN     38 THR  HB      3.96  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  38 THR  HN     38 THR  QG2     2.98  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 612, 613, 614,
 &end
#
#  38 THR  HN     39 SER  HN      3.05  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  38 THR  HN     40 LYS  HN      4.85  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 631, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  38 THR  HN     53 LEU  QD1     4.31  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 836, 837, 838,
 &end
#
#  38 THR  HN     53 LEU  QD2     5.22  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 840, 841, 842,
 &end
#
#  38 THR  HN     84 ILE  QG2     5.41  (#SUP  0.87  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1300,1301,1302,
 &end
#
#  38 THR  QG2    39 SER  HN      4.20  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 612, 613, 614,
 &end
#
#  38 THR  QG2    53 LEU  HN      4.84  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 612, 613, 614,
 &end
#
#  38 THR  QG2    53 LEU  QD1     3.34  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 612, 613, 614,
 igr2= 836, 837, 838,
 &end
#
#  38 THR  QG2    53 LEU  QD2     3.54  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 612, 613, 614,
 igr2= 840, 841, 842,
 &end
#
#  38 THR  QG2    84 ILE  HN      4.81  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 612, 613, 614,
 &end
#
#  38 THR  QG2    84 ILE  QG2     3.07  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 612, 613, 614,
 igr2=1300,1301,1302,
 &end
#
#  38 THR  QG2    87 ALA  QB      4.80  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 612, 613, 614,
 igr2=1353,1354,1355,
 &end
#
#  39 SER  HA     80 LEU  HA      3.87  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1239, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  39 SER  HA     80 LEU  HB2     4.78  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1241, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  39 SER  HA     80 LEU  HB3     4.38  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1242, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  39 SER  HB2    80 LEU  QD2     5.25  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1250,1251,1252,
 &end
#
#  39 SER  HB3    80 LEU  QD2     5.25  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1250,1251,1252,
 &end
#
#  39 SER  HN     39 SER  HB2     3.54  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  39 SER  HN     39 SER  HB3     3.54  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  39 SER  HN     39 SER  QB      3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 624, 625,
 &end
#
#  39 SER  HN     40 LYS  HB2     4.78  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 620, 635, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  39 SER  HN     40 LYS  HB3     5.39  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 620, 636, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  39 SER  HN     40 LYS  HN      2.96  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#  39 SER  HN     80 LEU  QD2     4.70  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1250,1251,1252,
 &end
#
#  39 SER  QB     40 LYS  HB2     5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 624, 625,
 &end
#
#  39 SER  QB     40 LYS  HN      4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 624, 625,
 &end
#
#  39 SER  QB     80 LEU  HB3     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 624, 625,
 &end
#
#  39 SER  QB     80 LEU  QD1     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 624, 625,
 igr2=1246,1247,1248,
 &end
#
#  39 SER  QB     80 LEU  QD2     4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 624, 625,
 igr2=1250,1251,1252,
 &end
#
#  40 LYS  HA     40 LYS  HG2     4.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 633, 638, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  40 LYS  HA     40 LYS  HG3     4.24  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 633, 639, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  40 LYS  HA     40 LYS  QE      4.05 
 &rst
  ixpk= 1, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 644, 645,
 &end
#
#  40 LYS  HA     40 LYS  QG      3.62 
 &rst
  ixpk= 1, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 638, 639,
 &end
#
#  40 LYS  HA     41 THR  HA      4.97  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  40 LYS  HA     41 THR  HN      2.53  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03,  &end
#
#  40 LYS  HA     41 THR  QG2     4.48  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 659, 660, 661,
 &end
#
#  40 LYS  HA     80 LEU  QD2     5.50  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#  40 LYS  HB2    41 THR  HN      4.18  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 653, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  40 LYS  HB2    53 LEU  QD1     5.26  (#SUP  0.94  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 836, 837, 838,
 &end
#
#  40 LYS  HB2    55 GLN  QE2     4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 878, 879,
 &end
#
#  40 LYS  HB3    41 THR  HN      3.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 636, 653, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  40 LYS  HB3    52 GLY  HN      5.39  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  40 LYS  HB3    55 GLN  HE21    4.31  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 878, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  40 LYS  HB3    55 GLN  HE22    4.31  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 879, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  40 LYS  HB3    55 GLN  QE2     3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 878, 879,
 &end
#
#  40 LYS  HB3    55 GLN  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 873, 874,
 &end
#
#  40 LYS  HG2    41 THR  HN      4.02  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 653, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  40 LYS  HG2    42 ASN  HD22    5.01  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  40 LYS  HG3    41 THR  HN      4.02  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 653, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  40 LYS  HG3    42 ASN  HD22    5.01  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  40 LYS  HN     40 LYS  HB2     2.95  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  40 LYS  HN     40 LYS  HB3     3.02  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  40 LYS  HN     40 LYS  HG2     4.69  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 638, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  40 LYS  HN     40 LYS  HG3     4.69  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  40 LYS  HN     40 LYS  QE      4.74 
 &rst
  ixpk= 1, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 644, 645,
 &end
#
#  40 LYS  HN     41 THR  HN      4.63  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 653, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  40 LYS  HN     52 GLY  HN      4.81  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 820, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  40 LYS  HN     53 LEU  QD1     4.95  (#SUP  0.50  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 836, 837, 838,
 &end
#
#  40 LYS  HN     80 LEU  QD2     4.00  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1250,1251,1252,
 &end
#
#  40 LYS  QE     41 THR  HN      4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 644, 645,
 &end
#
#  40 LYS  QG     41 THR  HA      4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#  40 LYS  QG     42 ASN  HD21    5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 638, 639,
 &end
#
#  40 LYS  QG     55 GLN  QE2     3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 638, 639,
 igr2= 878, 879,
 &end
#
#  41 THR  HA     41 THR  QG2     3.23  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 659, 660, 661,
 &end
#
#  41 THR  HA     42 ASN  HB2     4.45  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 671, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  41 THR  HA     42 ASN  HB3     5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  41 THR  HA     42 ASN  HN      2.74  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
#  41 THR  HA     49 LYS  HG2     4.84  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 772, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  41 THR  HA     52 GLY  HN      5.05  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  41 THR  HA     80 LEU  QD2     4.77  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1250,1251,1252,
 &end
#
#  41 THR  HB     42 ASN  HA      4.97  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  41 THR  HB     42 ASN  HN      3.33  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 667, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  41 THR  HB     49 LYS  HD2     4.30  (#SUP  0.54  #QF  0.30)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 775, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  41 THR  HB     49 LYS  HD3     4.30  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 776, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  41 THR  HB     49 LYS  HE2     5.15  (#SUP  0.86  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 778, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  41 THR  HB     49 LYS  HE3     5.15  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 779, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  41 THR  HB     49 LYS  HG2     4.17  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 772, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  41 THR  HB     49 LYS  HG3     4.71  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 773, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  41 THR  HB     49 LYS  QE      4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 778, 779,
 &end
#
#  41 THR  HB     50 ASP  HN      4.95  (#SUP  0.44  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 787, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  41 THR  HB     51 TYR  QD      5.23  (#SUP  0.92  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 807, 816,
 &end
#
#  41 THR  HB     51 TYR  QE      5.37  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 809, 814,
 &end
#
#  41 THR  HB     80 LEU  QD2     5.50  (#SUP  0.89  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#  41 THR  HN     41 THR  HB      3.89  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  41 THR  HN     41 THR  QG2     3.72  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 659, 660, 661,
 &end
#
#  41 THR  HN     42 ASN  HA      5.00  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 669, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  QG2    42 ASN  HA      5.33  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 659, 660, 661,
 &end
#
#  41 THR  QG2    42 ASN  HN      3.61  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 659, 660, 661,
 &end
#
#  41 THR  QG2    49 LYS  HB2     5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 659, 660, 661,
 &end
#
#  41 THR  QG2    49 LYS  HB3     4.47  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 659, 660, 661,
 &end
#
#  41 THR  QG2    49 LYS  QD      3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 659, 660, 661,
 igr2= 775, 776,
 &end
#
#  41 THR  QG2    49 LYS  QE      4.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 659, 660, 661,
 igr2= 778, 779,
 &end
#
#  41 THR  QG2    51 TYR  QD      3.67  (#SUP  0.78  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 659, 660, 661,
 igr2= 807, 816,
 &end
#
#  41 THR  QG2    51 TYR  QE      3.96  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 659, 660, 661,
 igr2= 809, 814,
 &end
#
#  41 THR  QG2    52 GLY  HN      4.18  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 659, 660, 661,
 &end
#
#  42 ASN  HA     43 THR  HB      4.82  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  42 ASN  HA     43 THR  HN      2.60  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  42 ASN  HB2    42 ASN  HD21    2.87  (#SUP  0.68  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 676, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  42 ASN  HB2    42 ASN  HD22    3.70  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 677, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  42 ASN  HB2    43 THR  HN      4.63  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  42 ASN  HB2    50 ASP  HN      4.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 ASN  HB2    50 ASP  QB      3.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 791, 792,
 &end
#
#  42 ASN  HB3    43 THR  HN      3.69  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 681, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  42 ASN  HB3    50 ASP  HN      4.77  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 787, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  42 ASN  HB3    50 ASP  QB      3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 791, 792,
 &end
#
#  42 ASN  HN     42 ASN  HB2     3.20  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 671, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  42 ASN  HN     42 ASN  HB3     3.95  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 672, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  42 ASN  HN     42 ASN  HD21    4.77  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 676, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  42 ASN  HN     43 THR  HN      4.34  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 681, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  42 ASN  HN     49 LYS  HG2     4.14  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 772, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  42 ASN  HN     49 LYS  HG3     4.66  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 773, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  42 ASN  HN     49 LYS  QD      4.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 775, 776,
 &end
#
#  42 ASN  HN     50 ASP  HN      3.27  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 787, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  42 ASN  HN     50 ASP  QB      3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 791, 792,
 &end
#
#  43 THR  HA     43 THR  QG2     3.21  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 687, 688, 689,
 &end
#
#  43 THR  HA     44 ASN  HN      2.68  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
#  43 THR  HA     49 LYS  HA      3.45  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 767, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  43 THR  HA     49 LYS  HB2     4.97  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 769, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  43 THR  HA     49 LYS  HB3     4.56  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 770, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  43 THR  HA     49 LYS  HG2     4.15  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 772, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  43 THR  HA     49 LYS  HG3     3.74  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 773, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  43 THR  HA     50 ASP  HN      4.11  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 787, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  43 THR  HB     44 ASN  HN      4.02  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 695, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  43 THR  HN     43 THR  HB      2.94  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  43 THR  HN     43 THR  QG2     3.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 687, 688, 689,
 &end
#
#  43 THR  QG2    44 ASN  HN      3.25  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1= 687, 688, 689,
 &end
#
#  43 THR  QG2    47 GLY  HA2     3.94  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 687, 688, 689,
 &end
#
#  43 THR  QG2    47 GLY  HA3     4.84  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 687, 688, 689,
 &end
#
#  43 THR  QG2    47 GLY  HN      4.22  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 687, 688, 689,
 &end
#
#  43 THR  QG2    48 SER  HN      4.93  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 687, 688, 689,
 &end
#
#  43 THR  QG2    49 LYS  HA      4.35  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 687, 688, 689,
 &end
#
#  44 ASN  HA     45 ARG  HA      4.43  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 711, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  44 ASN  HA     45 ARG  HN      2.87  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  44 ASN  HA     46 ASN  HN      4.62  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 733, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  44 ASN  HB2    44 ASN  HD21    3.36  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  44 ASN  HB2    44 ASN  HD22    3.84  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 699, 705, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  44 ASN  HB2    45 ARG  HN      3.78  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  44 ASN  HB2    46 ASN  HN      3.71  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 733, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  44 ASN  HB2    47 GLY  HN      4.25  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 747, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  44 ASN  HB2    48 SER  HN      4.11  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 754, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  44 ASN  HB3    45 ARG  HN      3.14  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  44 ASN  HB3    46 ASN  HN      3.82  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 733, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  44 ASN  HD21   45 ARG  HN      5.50  (#SUP  0.89  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 ASN  HD21   48 SER  HN      4.27  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 754, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  44 ASN  HD21   48 SER  QB      4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 758, 759,
 &end
#
#  44 ASN  HD21   49 LYS  HA      4.27  (#SUP  0.41  #QF  0.41)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 767, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  44 ASN  HD21   49 LYS  HN      4.97  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 765, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  44 ASN  HD21   57 ASN  HD21    4.75  (#SUP  0.97  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 911, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  44 ASN  HD21   57 ASN  HD22    4.75  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 912, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  44 ASN  HD21   57 ASN  QD2     4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 911, 912,
 &end
#
#  44 ASN  HD22   49 LYS  HA      4.76  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 767, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  44 ASN  HD22   49 LYS  HN      5.05  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  44 ASN  HD22   50 ASP  HN      4.63  (#SUP  0.84  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 787, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  44 ASN  HD22   57 ASN  QD2     4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 911, 912,
 &end
#
#  44 ASN  HN     44 ASN  HB2     3.14  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  44 ASN  HN     44 ASN  HB3     3.94  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 700, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  44 ASN  HN     44 ASN  HD21    3.79  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 704, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  44 ASN  HN     44 ASN  HD22    4.58  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 705, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  44 ASN  HN     47 GLY  HA2     5.06  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 749, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  44 ASN  HN     47 GLY  HN      4.45  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 747, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  44 ASN  HN     48 SER  HN      4.79  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 695, 754, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  44 ASN  HN     49 LYS  HA      3.45  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 767, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  44 ASN  HN     49 LYS  HB2     5.12  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 769, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  44 ASN  HN     49 LYS  HG3     4.86  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 773, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  44 ASN  HN     50 ASP  HN      5.14  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 787, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  45 ARG  HA     45 ARG  QB      2.80  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 713, 714,
 &end
#
#  45 ARG  HA     45 ARG  QD      4.34  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 719, 720,
 &end
#
#  45 ARG  HA     45 ARG  QG      3.87  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 716, 717,
 &end
#
#  45 ARG  HA     47 GLY  HN      4.23  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 747, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  45 ARG  HN     45 ARG  HE      5.50  (#SUP  0.89  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 ARG  HN     45 ARG  QB      2.81  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 713, 714,
 &end
#
#  45 ARG  HN     45 ARG  QD      4.82  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 719, 720,
 &end
#
#  45 ARG  HN     45 ARG  QG      3.38  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 716, 717,
 &end
#
#  45 ARG  HN     46 ASN  HN      3.32  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 709, 733, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  45 ARG  QB     45 ARG  HE      4.95  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 713, 714,
 &end
#
#  45 ARG  QB     45 ARG  QD      3.36  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 713, 714,
 igr2= 719, 720,
 &end
#
#  45 ARG  QB     46 ASN  HN      3.38  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 713, 714,
 &end
#
#  45 ARG  QB     47 GLY  HN      5.19  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 713, 714,
 &end
#
#  45 ARG  QG     45 ARG  QD      2.96  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 716, 717,
 igr2= 719, 720,
 &end
#
#  45 ARG  QG     46 ASN  HN      4.09  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 716, 717,
 &end
#
#  46 ASN  HA     46 ASN  QD2     4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 742, 743,
 &end
#
#  46 ASN  HB2    47 GLY  HN      4.60  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  46 ASN  HB3    47 GLY  HN      4.60  (#SUP  0.92  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 747, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  46 ASN  HN     46 ASN  HB2     3.96  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  46 ASN  HN     46 ASN  HB3     3.96  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 733, 738, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  46 ASN  HN     46 ASN  QB      3.36 
 &rst
  ixpk= 1, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 737, 738,
 &end
#
#  46 ASN  HN     46 ASN  QD2     4.64 
 &rst
  ixpk= 1, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 742, 743,
 &end
#
#  46 ASN  QB     46 ASN  QD2     2.87 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 737, 738,
 igr2= 742, 743,
 &end
#
#  46 ASN  QB     47 GLY  HN      3.84 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 737, 738,
 &end
#
#  46 ASN  QB     48 SER  HN      3.67 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 737, 738,
 &end
#
#  47 GLY  HA3    48 SER  HN      3.33  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 754, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  47 GLY  HN     47 GLY  HA2     2.86  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  47 GLY  HN     48 SER  HN      3.31  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 754, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  48 SER  HA     49 LYS  HN      2.82  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 765, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  48 SER  HA     59 ARG  QD      5.50  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 938, 939,
 &end
#
#  48 SER  HB2    49 LYS  HN      3.75  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 765, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  48 SER  HB3    49 LYS  HN      3.75  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 759, 765, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  48 SER  HN     48 SER  QB      3.18 
 &rst
  ixpk= 1, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 758, 759,
 &end
#
#  48 SER  HN     49 LYS  HN      4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 765, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  48 SER  HN     59 ARG  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 932, 933,
 &end
#
#  48 SER  QB     49 LYS  HN      2.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1= 758, 759,
 &end
#
#  48 SER  QB     57 ASN  QD2     3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 758, 759,
 igr2= 911, 912,
 &end
#
#  48 SER  QB     58 ASP  HN      4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 758, 759,
 &end
#
#  48 SER  QB     59 ARG  HE      4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 758, 759,
 &end
#
#  48 SER  QB     59 ARG  HN      3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 758, 759,
 &end
#
#  48 SER  QB     59 ARG  QB      3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 758, 759,
 igr2= 932, 933,
 &end
#
#  48 SER  QB     59 ARG  QD      4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 758, 759,
 igr2= 938, 939,
 &end
#
#  49 LYS  HA     49 LYS  HG2     3.91  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 767, 772, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  49 LYS  HA     49 LYS  HG3     3.76  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  49 LYS  HA     49 LYS  QD      4.93 
 &rst
  ixpk= 1, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 775, 776,
 &end
#
#  49 LYS  HA     50 ASP  HN      2.78  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 787, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  49 LYS  HB2    49 LYS  HE2     5.13  (#SUP  0.90  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 778, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  49 LYS  HB2    49 LYS  HE3     5.13  (#SUP  0.90  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 779, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  49 LYS  HB2    49 LYS  QD      3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 775, 776,
 &end
#
#  49 LYS  HB2    49 LYS  QE      4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 778, 779,
 &end
#
#  49 LYS  HB2    50 ASP  HN      4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 769, 787, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  49 LYS  HB2    51 TYR  QE      3.89  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 809, 814,
 &end
#
#  49 LYS  HB3    49 LYS  HE2     4.93  (#SUP  0.85  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  49 LYS  HB3    49 LYS  HE3     4.93  (#SUP  0.85  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 779, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  49 LYS  HB3    49 LYS  QD      3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 775, 776,
 &end
#
#  49 LYS  HB3    49 LYS  QE      4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 778, 779,
 &end
#
#  49 LYS  HB3    50 ASP  HN      3.82  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  49 LYS  HB3    51 TYR  QD      4.90  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 807, 816,
 &end
#
#  49 LYS  HB3    51 TYR  QE      3.69  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 809, 814,
 &end
#
#  49 LYS  HD2    51 TYR  QE      5.04  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 809, 814,
 &end
#
#  49 LYS  HD3    51 TYR  QE      5.04  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 809, 814,
 &end
#
#  49 LYS  HG2    49 LYS  QE      3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 778, 779,
 &end
#
#  49 LYS  HG2    50 ASP  HN      3.34  (#SUP  0.99  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  49 LYS  HG3    50 ASP  HN      4.12  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  49 LYS  HN     49 LYS  HB2     3.36  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 769, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  49 LYS  HN     49 LYS  HB3     3.47  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  49 LYS  HN     49 LYS  HG3     4.92  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  49 LYS  HN     49 LYS  QD      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 775, 776,
 &end
#
#  49 LYS  HN     50 ASP  HN      4.68  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 787, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  49 LYS  HN     51 TYR  QD      5.50  (#SUP  0.98  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 807, 816,
 &end
#
#  49 LYS  HN     51 TYR  QE      4.30  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 809, 814,
 &end
#
#  49 LYS  HN     57 ASN  HA      5.07  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 904, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  49 LYS  HN     57 ASN  HD21    5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  49 LYS  HN     57 ASN  HD22    5.50  (#SUP  0.98  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  49 LYS  HN     57 ASN  QD2     4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 911, 912,
 &end
#
#  49 LYS  HN     58 ASP  HN      4.20  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  49 LYS  HN     58 ASP  QB      5.33  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 920, 921,
 &end
#
#  49 LYS  HN     59 ARG  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 932, 933,
 &end
#
#  49 LYS  QD     50 ASP  HN      4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 775, 776,
 &end
#
#  49 LYS  QD     51 TYR  QE      4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 775, 776,
 igr2= 809, 814,
 &end
#
#  49 LYS  QE     51 TYR  QE      4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 778, 779,
 igr2= 809, 814,
 &end
#
#  50 ASP  HA     51 TYR  HB2     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 803, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  50 ASP  HA     51 TYR  HN      2.88  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 799, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#  50 ASP  HA     51 TYR  QD      3.64  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 807, 816,
 &end
#
#  50 ASP  HA     51 TYR  QE      4.41  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 809, 814,
 &end
#
#  50 ASP  HA     55 GLN  HA      4.69  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 868, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  50 ASP  HA     56 ILE  HN      4.81  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 883, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  50 ASP  HA     57 ASN  HA      3.21  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 904, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  50 ASP  HA     57 ASN  QB      4.91  (#SUP  0.99  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 906, 907,
 &end
#
#  50 ASP  HA     58 ASP  HN      4.40  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 916, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  50 ASP  HB2    51 TYR  HN      4.24  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 799, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  50 ASP  HB2    55 GLN  HB3     4.02  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 871, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  50 ASP  HB3    51 TYR  HN      4.24  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 799, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  50 ASP  HB3    55 GLN  HB3     4.02  (#SUP  0.98  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 871, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  50 ASP  HN     50 ASP  QB      3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 791, 792,
 &end
#
#  50 ASP  HN     51 TYR  HN      4.66  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 799, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  50 ASP  HN     51 TYR  QD      4.98  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 807, 816,
 &end
#
#  50 ASP  HN     51 TYR  QE      4.89  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 809, 814,
 &end
#
#  50 ASP  QB     51 TYR  HN      3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 791, 792,
 &end
#
#  50 ASP  QB     55 GLN  HA      3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 791, 792,
 &end
#
#  50 ASP  QB     55 GLN  HB3     3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 791, 792,
 &end
#
#  50 ASP  QB     56 ILE  HN      4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 791, 792,
 &end
#
#  50 ASP  QB     57 ASN  HA      4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 791, 792,
 &end
#
#  51 TYR  HB2    52 GLY  HA2     5.50  (#SUP  0.97  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 TYR  HB2    52 GLY  HN      4.45  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 820, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  51 TYR  HB2    55 GLN  HA      5.50  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 TYR  HB2    56 ILE  HB      5.09  (#SUP  0.98  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 887, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  51 TYR  HB2    56 ILE  HN      5.21  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 883, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  51 TYR  HB2    58 ASP  QB      5.25  (#SUP  0.75  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 920, 921,
 &end
#
#  51 TYR  HB2    79 LEU  HB2     4.25  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1222, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  51 TYR  HB2    79 LEU  HB3     5.50  (#SUP  0.98  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 TYR  HB2    79 LEU  HG      4.84  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 803,1225, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  51 TYR  HB2    79 LEU  QD1     3.56  (#SUP  0.85  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1227,1228,1229,
 &end
#
#  51 TYR  HB3    52 GLY  HN      4.06  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  51 TYR  HB3    79 LEU  HB2     4.08  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 804,1222, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  51 TYR  HB3    79 LEU  HB3     4.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 804,1223, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  51 TYR  HB3    80 LEU  HG      3.69  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat= 804,1244, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  51 TYR  HB3    80 LEU  QD2     3.42  (#SUP  0.99  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1250,1251,1252,
 &end
#
#  51 TYR  HN     51 TYR  HB2     3.27  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  51 TYR  HN     51 TYR  HB3     4.14  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  51 TYR  HN     51 TYR  QD      3.01  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 807, 816,
 &end
#
#  51 TYR  HN     51 TYR  QE      4.90  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 809, 814,
 &end
#
#  51 TYR  HN     55 GLN  HA      3.83  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 868, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  51 TYR  HN     55 GLN  HB3     5.50  (#SUP  0.96  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 TYR  HN     56 ILE  HB      4.11  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 887, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  51 TYR  HN     56 ILE  HN      3.56  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 883, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  51 TYR  HN     57 ASN  HA      3.96  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 904, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  51 TYR  HN     57 ASN  QB      5.50  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 906, 907,
 &end
#
#  51 TYR  HN     79 LEU  HB2     5.50  (#SUP  0.96  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 799,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51 TYR  HN     79 LEU  QD1     4.09  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1227,1228,1229,
 &end
#
#  51 TYR  QD     52 GLY  HN      4.82  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     56 ILE  HN      5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     57 ASN  HA      4.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     58 ASP  HN      4.10  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     58 ASP  QB      4.00  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 807, 816,
 igr2= 920, 921,
 &end
#
#  51 TYR  QD     76 CYX  HA      5.50  (#SUP  0.92  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     76 CYX  HB2     4.41  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     76 CYX  HB3     4.32  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     77 SER  HA      4.78  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     79 LEU  HB2     5.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     79 LEU  QD1     4.57  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 807, 816,
 igr2=1227,1228,1229,
 &end
#
#  51 TYR  QD     80 LEU  HB2     5.37  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     80 LEU  HB3     5.41  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     80 LEU  HG      3.63  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 807, 816,
 &end
#
#  51 TYR  QD     80 LEU  QD1     2.86  (#SUP  0.92  #QF  0.41)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 807, 816,
 igr2=1246,1247,1248,
 &end
#
#  51 TYR  QD     80 LEU  QD2     3.30  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 807, 816,
 igr2=1250,1251,1252,
 &end
#
#  51 TYR  QE     57 ASN  HA      4.74  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 809, 814,
 &end
#
#  51 TYR  QE     58 ASP  HA      5.17  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 809, 814,
 &end
#
#  51 TYR  QE     58 ASP  HN      3.68  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 809, 814,
 &end
#
#  51 TYR  QE     58 ASP  QB      3.29  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 809, 814,
 igr2= 920, 921,
 &end
#
#  51 TYR  QE     76 CYX  HB2     4.65  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 809, 814,
 &end
#
#  51 TYR  QE     76 CYX  HB3     4.45  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 809, 814,
 &end
#
#  51 TYR  QE     80 LEU  QD1     3.42  (#SUP  0.49  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 809, 814,
 igr2=1246,1247,1248,
 &end
#
#  52 GLY  HA2    53 LEU  HB2     5.50  (#SUP  0.99  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLY  HA2    53 LEU  HB3     5.50  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLY  HA2    53 LEU  HN      3.43  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  52 GLY  HA2    54 PHE  HN      5.03  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  52 GLY  HA2    55 GLN  HA      5.50  (#SUP  0.50  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 GLY  HA2    55 GLN  HN      4.99  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 866, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  52 GLY  HA2    80 LEU  HA      4.92  (#SUP  0.97  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 822,1239, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  52 GLY  HA2    80 LEU  QD1     5.50  (#SUP  0.47  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1246,1247,1248,
 &end
#
#  52 GLY  HA2    80 LEU  QD2     3.61  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1250,1251,1252,
 &end
#
#  52 GLY  HN     53 LEU  HN      4.76  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  52 GLY  HN     55 GLN  HA      4.94  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 868, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  52 GLY  HN     55 GLN  QE2     4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 878, 879,
 &end
#
#  52 GLY  HN     80 LEU  HA      4.87  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 820,1239, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  52 GLY  HN     80 LEU  HG      4.30  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 820,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  52 GLY  HN     80 LEU  QD1     4.77  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1246,1247,1248,
 &end
#
#  52 GLY  HN     80 LEU  QD2     3.10  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1250,1251,1252,
 &end
#
#  53 LEU  HA     53 LEU  HG      3.62  (#SUP  0.92  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  53 LEU  HA     53 LEU  QD1     3.17  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 836, 837, 838,
 &end
#
#  53 LEU  HA     53 LEU  QD2     4.01  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 840, 841, 842,
 &end
#
#  53 LEU  HA     55 GLN  HA      5.50  (#SUP  0.87  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 LEU  HA     55 GLN  QE2     3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 878, 879,
 &end
#
#  53 LEU  HB2    53 LEU  QD1     3.54  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 836, 837, 838,
 &end
#
#  53 LEU  HB2    53 LEU  QD2     3.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 840, 841, 842,
 &end
#
#  53 LEU  HB2    54 PHE  HN      3.85  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  53 LEU  HB2    54 PHE  QD      4.56  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 854, 862,
 &end
#
#  53 LEU  HB2    54 PHE  QE      5.02  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 856, 860,
 &end
#
#  53 LEU  HB2    84 ILE  QD1     4.93  (#SUP  0.36  #QF  0.36)
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1307,1308,1309,
 &end
#
#  53 LEU  HB2    87 ALA  QB      4.86  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1353,1354,1355,
 &end
#
#  53 LEU  HB3    53 LEU  QD1     3.74  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 836, 837, 838,
 &end
#
#  53 LEU  HB3    53 LEU  QD2     3.14  (#SUP  0.99  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 840, 841, 842,
 &end
#
#  53 LEU  HB3    54 PHE  HN      3.44  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  53 LEU  HB3    54 PHE  QD      3.90  (#SUP  0.97  #QF  0.32)
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 854, 862,
 &end
#
#  53 LEU  HB3    54 PHE  QE      4.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 856, 860,
 &end
#
#  53 LEU  HB3    55 GLN  HN      5.30  (#SUP  0.92  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 832, 866, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  53 LEU  HB3    87 ALA  QB      4.91  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1353,1354,1355,
 &end
#
#  53 LEU  HN     53 LEU  HB2     3.29  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  53 LEU  HN     53 LEU  HB3     3.19  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 832, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  53 LEU  HN     53 LEU  HG      4.74  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  53 LEU  HN     53 LEU  QD1     4.23  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 836, 837, 838,
 &end
#
#  53 LEU  HN     53 LEU  QD2     4.53  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 840, 841, 842,
 &end
#
#  53 LEU  HN     54 PHE  HN      3.77  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  53 LEU  HN     54 PHE  QD      4.87  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 854, 862,
 &end
#
#  53 LEU  HN     55 GLN  HN      4.77  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 866, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  53 LEU  HN     87 ALA  QB      4.76  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1353,1354,1355,
 &end
#
#  53 LEU  QD1    54 PHE  HN      4.92  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 836, 837, 838,
 &end
#
#  53 LEU  QD1    54 PHE  QD      5.50  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 836, 837, 838,
 igr2= 854, 862,
 &end
#
#  53 LEU  QD1    54 PHE  QE      5.50  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 836, 837, 838,
 igr2= 856, 860,
 &end
#
#  53 LEU  QD1    55 GLN  QE2     5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 836, 837, 838,
 igr2= 878, 879,
 &end
#
#  53 LEU  QD1    84 ILE  HB      5.09  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 836, 837, 838,
 &end
#
#  53 LEU  QD1    84 ILE  QG2     3.64  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 836, 837, 838,
 igr2=1300,1301,1302,
 &end
#
#  53 LEU  QD2    54 PHE  HN      4.87  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 840, 841, 842,
 &end
#
#  53 LEU  QD2    54 PHE  QE      4.06  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 840, 841, 842,
 igr2= 856, 860,
 &end
#
#  53 LEU  QD2    87 ALA  QB      4.98  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 840, 841, 842,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  HA    103 TRP  HE1     4.80  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 848,1634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  54 PHE  HA     54 PHE  QD      3.60  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 854, 862,
 &end
#
#  54 PHE  HB2   103 TRP  HE1     4.33  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 850,1634, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  54 PHE  HB2   103 TRP  HZ2     4.44  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 850,1637, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  54 PHE  HB2    55 GLN  HN      4.36  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 866, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  54 PHE  HB2    56 ILE  HB      5.50  (#SUP  0.98  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 PHE  HB2    56 ILE  HG12    3.76  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 893, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  54 PHE  HB2    56 ILE  HG13    3.61  (#SUP  1.00  #QF  0.97)
 &rst
  ixpk= 1, nxpk= 0, iat= 850, 894, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  54 PHE  HB2    56 ILE  HN      4.21  (#SUP  0.37  #QF  0.37)
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 883, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  54 PHE  HB2    56 ILE  QD1     3.54  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 896, 897, 898,
 &end
#
#  54 PHE  HB2    87 ALA  QB      4.49  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  HB2    91 ALA  QB      4.25  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1405,1406,1407,
 &end
#
#  54 PHE  HB3   103 TRP  HE1     3.77  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 851,1634, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  54 PHE  HB3   103 TRP  HZ2     3.80  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 851,1637, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  54 PHE  HB3    56 ILE  HG12    3.98  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 893, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  54 PHE  HB3    56 ILE  HG13    4.34  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat= 851, 894, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  54 PHE  HB3    56 ILE  QD1     4.29  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 896, 897, 898,
 &end
#
#  54 PHE  HB3    91 ALA  HA      5.50  (#SUP  0.87  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat= 851,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 PHE  HB3    91 ALA  QB      5.00  (#SUP  0.99  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1405,1406,1407,
 &end
#
#  54 PHE  HN     54 PHE  HB2     3.54  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  54 PHE  HN     54 PHE  HB3     3.73  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  54 PHE  HN     54 PHE  QD      3.47  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 854, 862,
 &end
#
#  54 PHE  HN     54 PHE  QE      4.76  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 856, 860,
 &end
#
#  54 PHE  HN     55 GLN  HN      3.13  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 866, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  54 PHE  HN     87 ALA  QB      4.30  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  HZ     84 ILE  QD1     4.26  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1307,1308,1309,
 &end
#
#  54 PHE  HZ     87 ALA  QB      5.11  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  HZ     88 ALA  HA      4.36  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 858,1361, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  54 PHE  HZ     88 ALA  QB      4.21  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1363,1364,1365,
 &end
#
#  54 PHE  HZ     91 ALA  QB      4.46  (#SUP  0.99  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 858,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1405,1406,1407,
 &end
#
#  54 PHE  QD    103 TRP  HE1     5.02  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     55 GLN  HN      4.73  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     56 ILE  QD1     3.71  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 854, 862,
 igr2= 896, 897, 898,
 &end
#
#  54 PHE  QD     87 ALA  HA      4.86  (#SUP  0.94  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     87 ALA  QB      3.15  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 854, 862,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  QD     88 ALA  HA      4.75  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     88 ALA  HN      5.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     88 ALA  QB      5.13  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 854, 862,
 igr2=1363,1364,1365,
 &end
#
#  54 PHE  QD     91 ALA  HA      5.32  (#SUP  0.94  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1403, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     91 ALA  HN      5.22  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 854, 862,
 &end
#
#  54 PHE  QD     91 ALA  QB      3.49  (#SUP  0.89  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 854, 862,
 igr2=1405,1406,1407,
 &end
#
#  54 PHE  QE    103 TRP  HH2     5.50  (#SUP  0.88  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     56 ILE  QD1     4.69  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 856, 860,
 igr2= 896, 897, 898,
 &end
#
#  54 PHE  QE     84 ILE  HB      4.36  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     84 ILE  HG13    5.50  (#SUP  0.92  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     84 ILE  QD1     3.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 856, 860,
 igr2=1307,1308,1309,
 &end
#
#  54 PHE  QE     84 ILE  QG2     5.44  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 856, 860,
 igr2=1300,1301,1302,
 &end
#
#  54 PHE  QE     87 ALA  QB      3.55  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 856, 860,
 igr2=1353,1354,1355,
 &end
#
#  54 PHE  QE     88 ALA  HA      3.59  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     88 ALA  HN      4.10  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     88 ALA  QB      3.82  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 856, 860,
 igr2=1363,1364,1365,
 &end
#
#  54 PHE  QE     91 ALA  HN      5.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 856, 860,
 &end
#
#  54 PHE  QE     91 ALA  QB      3.48  (#SUP  1.00  #QF  0.94)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 856, 860,
 igr2=1405,1406,1407,
 &end
#
#  55 GLN  HA     55 GLN  HE21    4.18  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  55 GLN  HA     55 GLN  HE22    4.18  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  55 GLN  HA     55 GLN  QE2     3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 878, 879,
 &end
#
#  55 GLN  HA     55 GLN  QG      3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 873, 874,
 &end
#
#  55 GLN  HA     56 ILE  HB      5.21  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 887, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  55 GLN  HA     56 ILE  HG13    4.71  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 894, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  55 GLN  HA     56 ILE  HN      3.28  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 883, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  55 GLN  HB2    55 GLN  HE21    5.50  (#SUP  0.77  #QF  0.22)
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 GLN  HB2    55 GLN  HE22    5.50  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 GLN  HB2    55 GLN  QE2     4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 878, 879,
 &end
#
#  55 GLN  HB2    56 ILE  HN      4.94  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  55 GLN  HB3    55 GLN  QE2     4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 878, 879,
 &end
#
#  55 GLN  HB3    56 ILE  HN      4.77  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 883, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  55 GLN  HN     55 GLN  HA      2.90  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 868, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  55 GLN  HN     55 GLN  HB2     3.57  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  55 GLN  HN     55 GLN  HB3     4.16  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  55 GLN  HN     55 GLN  HE21    4.04  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 878, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  55 GLN  HN     55 GLN  HE22    4.04  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 879, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  55 GLN  HN     55 GLN  QG      4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 873, 874,
 &end
#
#  55 GLN  HN     56 ILE  HN      3.75  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  55 GLN  HN     56 ILE  QD1     5.50  (#SUP  0.92  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 896, 897, 898,
 &end
#
#  55 GLN  QG     55 GLN  QE2     3.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#  56 ILE  HA     56 ILE  HG12    4.16  (#SUP  0.93  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 893, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  56 ILE  HA     56 ILE  QG2     3.33  (#SUP  0.97  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 889, 890, 891,
 &end
#
#  56 ILE  HA     57 ASN  HA      4.93  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 904, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  56 ILE  HA     57 ASN  HN      3.33  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 902, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  56 ILE  HA     57 ASN  QB      4.95  (#SUP  0.90  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 906, 907,
 &end
#
#  56 ILE  HA     94 ILE  QD1     4.87  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1468,1469,1470,
 &end
#
#  56 ILE  HB     56 ILE  QD1     3.19  (#SUP  0.93  #QF  0.48)
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 896, 897, 898,
 &end
#
#  56 ILE  HB     61 TRP  HB2     4.74  (#SUP  0.25  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 977, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  56 ILE  HB     61 TRP  HB3     5.50  (#SUP  0.89  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  56 ILE  HB     62 CYX  HB3     4.97  (#SUP  1.00  #QF  0.93)
 &rst
  ixpk= 1, nxpk= 0, iat= 887,1002, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  56 ILE  HB     62 CYX  HN      4.61  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 997, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  56 ILE  HB     76 CYX  HA      4.90  (#SUP  0.98  #QF  0.20)
 &rst
  ixpk= 0, nxpk= 0, iat= 887,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  56 ILE  HG12  103 TRP  HE1     4.95  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 893,1634, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  56 ILE  HG12  103 TRP  HZ2     4.85  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 893,1637, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  56 ILE  HG12   61 TRP  HB3     5.50  (#SUP  0.89  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  56 ILE  HG12   61 TRP  HD1     4.83  (#SUP  0.46  #QF  0.46)
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 981, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  56 ILE  HG12   94 ILE  QD1     3.96  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1468,1469,1470,
 &end
#
#  56 ILE  HG13  103 TRP  HE1     5.33  (#SUP  0.95  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 894,1634, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  56 ILE  HG13   94 ILE  QD1     4.77  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2=1468,1469,1470,
 &end
#
#  56 ILE  HN     56 ILE  HB      2.99  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 887, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  56 ILE  HN     56 ILE  HG12    3.97  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 893, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  56 ILE  HN     56 ILE  HG13    3.40  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  56 ILE  HN     56 ILE  QD1     4.10  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 896, 897, 898,
 &end
#
#  56 ILE  HN     57 ASN  HN      5.50  (#SUP  0.97  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  56 ILE  HN     79 LEU  QD1     4.88  (#SUP  0.89  #QF  0.48)
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1227,1228,1229,
 &end
#
#  56 ILE  QD1   103 TRP  HE1     5.50  (#SUP  0.95  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1634, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1   103 TRP  HZ2     4.44  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    61 TRP  HB2     4.12  (#SUP  0.94  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    79 LEU  QD2     3.22  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 896, 897, 898,
 igr2=1231,1232,1233,
 &end
#
#  56 ILE  QD1    87 ALA  HA      3.51  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    87 ALA  QB      3.39  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 896, 897, 898,
 igr2=1353,1354,1355,
 &end
#
#  56 ILE  QD1    88 ALA  HN      5.50  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    90 CYX  HB2     4.55  (#SUP  0.94  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    90 CYX  HB3     3.50  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    90 CYX  HN      4.82  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    91 ALA  HN      3.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 896, 897, 898,
 &end
#
#  56 ILE  QD1    91 ALA  QB      3.95  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 896, 897, 898,
 igr2=1405,1406,1407,
 &end
#
#  56 ILE  QD1    94 ILE  QD1     2.94  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 896, 897, 898,
 igr2=1468,1469,1470,
 &end
#
#  56 ILE  QD1    94 ILE  QG2     5.50  (#SUP  0.41  #QF  0.41)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 896, 897, 898,
 igr2=1461,1462,1463,
 &end
#
#  56 ILE  QG2    56 ILE  HG12    3.68  (#SUP  0.98  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    57 ASN  HA      4.67  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    57 ASN  HN      3.94  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    57 ASN  QB      4.76  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 889, 890, 891,
 igr2= 906, 907,
 &end
#
#  56 ILE  QG2    58 ASP  HN      5.16  (#SUP  0.92  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HB2     3.32  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HB3     3.38  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HD1     4.05  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HE1     5.10  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HE3     5.18  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    61 TRP  HN      4.53  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    62 CYX  HA      4.35  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    62 CYX  HB2     4.49  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    62 CYX  HB3     4.27  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    62 CYX  HN      4.20  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 889, 890, 891,
 &end
#
#  56 ILE  QG2    94 ILE  QD1     3.51  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 889, 890, 891,
 igr2=1468,1469,1470,
 &end
#
#  57 ASN  HA     57 ASN  HD21    4.78  (#SUP  0.97  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 911, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  57 ASN  HA     57 ASN  HD22    4.78  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 904, 912, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  57 ASN  HA     57 ASN  QD2     4.07 
 &rst
  ixpk= 1, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 911, 912,
 &end
#
#  57 ASN  HA     58 ASP  HN      2.88  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 916, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#  57 ASN  HA     58 ASP  QB      4.52  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 920, 921,
 &end
#
#  57 ASN  HA     59 ARG  HN      4.62  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 928, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  57 ASN  HN     57 ASN  QB      3.57  (#SUP  0.96  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 906, 907,
 &end
#
#  57 ASN  HN     61 TRP  HD1     4.03  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 981, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  57 ASN  HN     61 TRP  HE1     5.12  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 983, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  57 ASN  HN     62 CYX  HN      5.50  (#SUP  0.97  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 902, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  57 ASN  HN     94 ILE  QD1     5.50  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1468,1469,1470,
 &end
#
#  57 ASN  QB     58 ASP  HA      5.38  (#SUP  0.99  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 906, 907,
 &end
#
#  57 ASN  QB     58 ASP  HN      3.57  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 906, 907,
 &end
#
#  57 ASN  QB     59 ARG  HN      3.95  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 906, 907,
 &end
#
#  57 ASN  QB     60 TYR  QD      4.50  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 906, 907,
 igr2= 960, 969,
 &end
#
#  57 ASN  QB     61 TRP  HD1     4.27  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 906, 907,
 &end
#
#  57 ASN  QB     61 TRP  HE1     5.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 906, 907,
 &end
#
#  57 ASN  QD2    60 TYR  QD      4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 911, 912,
 igr2= 960, 969,
 &end
#
#  58 ASP  HA     58 ASP  QB      3.02  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 920, 921,
 &end
#
#  58 ASP  HA     61 TRP  HN      4.84  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 973, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  58 ASP  HA     62 CYX  HN      3.79  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 997, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  58 ASP  HN     58 ASP  QB      3.40  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 920, 921,
 &end
#
#  58 ASP  HN     59 ARG  HN      3.48  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  58 ASP  HN     59 ARG  QB      4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 932, 933,
 &end
#
#  58 ASP  HN     76 CYX  HB3     5.50  (#SUP  0.92  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat= 916,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 ASP  QB     59 ARG  HN      5.10  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 928, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     62 CYX  HN      5.50  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     63 SER  HN      4.98  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     64 LYS  HA      5.09  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     64 LYS  HG2     4.68  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     64 LYS  HG3     4.68  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     64 LYS  HN      4.46  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 920, 921,
 &end
#
#  58 ASP  QB     64 LYS  QB      4.01  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 igr2=1022,1023,
 &end
#
#  58 ASP  QB     64 LYS  QD      4.72  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 920, 921,
 igr2=1028,1029,
 &end
#
#  58 ASP  QB     64 LYS  QE      5.50  (#SUP  0.75  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 920, 921,
 igr2=1031,1032,
 &end
#
#  58 ASP  QB     64 LYS  QG      4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 920, 921,
 igr2=1025,1026,
 &end
#
#  58 ASP  QB     76 CYX  HB3     4.58  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 920, 921,
 &end
#
#  59 ARG  HA     59 ARG  HE      4.80  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 941, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  59 ARG  HA     59 ARG  HG2     3.98  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 935, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  59 ARG  HA     59 ARG  HG3     3.98  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 930, 936, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  59 ARG  HA     59 ARG  QD      4.18  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 938, 939,
 &end
#
#  59 ARG  HA     59 ARG  QG      3.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 935, 936,
 &end
#
#  59 ARG  HB2    60 TYR  HN      4.16  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 952, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  59 ARG  HB3    60 TYR  HN      4.16  (#SUP  1.00  #QF  0.43)
 &rst
  ixpk= 1, nxpk= 0, iat= 933, 952, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  59 ARG  HG2    60 TYR  QD      4.99  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 960, 969,
 &end
#
#  59 ARG  HG3    60 TYR  QD      4.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 960, 969,
 &end
#
#  59 ARG  HN     59 ARG  HB2     3.32  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 932, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  59 ARG  HN     59 ARG  HB3     3.32  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 933, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  59 ARG  HN     59 ARG  QD      4.91  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 938, 939,
 &end
#
#  59 ARG  HN     60 TYR  HB2     5.07  (#SUP  0.99  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 956, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  59 ARG  HN     60 TYR  HN      3.33  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 928, 952, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  59 ARG  HN     60 TYR  QD      5.36  (#SUP  0.99  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 960, 969,
 &end
#
#  59 ARG  HN     61 TRP  HN      4.53  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 973, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  59 ARG  QB     59 ARG  HE      4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 932, 933,
 &end
#
#  59 ARG  QB     60 TYR  QD      4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 932, 933,
 igr2= 960, 969,
 &end
#
#  59 ARG  QB     60 TYR  QE      4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 932, 933,
 igr2= 962, 967,
 &end
#
#  59 ARG  QD     60 TYR  QD      4.68  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 938, 939,
 igr2= 960, 969,
 &end
#
#  59 ARG  QD     60 TYR  QE      3.60  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 938, 939,
 igr2= 962, 967,
 &end
#
#  59 ARG  QG     60 TYR  QD      4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 935, 936,
 igr2= 960, 969,
 &end
#
#  59 ARG  QG     60 TYR  QE      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 935, 936,
 igr2= 962, 967,
 &end
#
#  60 TYR  HA     60 TYR  QD      3.38  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 960, 969,
 &end
#
#  60 TYR  HB2    61 TRP  HE1     4.62  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 983, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  60 TYR  HB2    61 TRP  HN      4.64  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  60 TYR  HB3    61 TRP  HB3     5.41  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 978, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  60 TYR  HB3    61 TRP  HD1     4.45  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 957, 981, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  60 TYR  HB3    61 TRP  HE1     3.94  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 983, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  60 TYR  HB3    61 TRP  HN      3.92  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 973, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  60 TYR  HB3    61 TRP  HZ2     5.50  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  60 TYR  HN     60 TYR  HB2     4.08  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  60 TYR  HN     60 TYR  HB3     3.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  60 TYR  HN     60 TYR  QD      3.95  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 960, 969,
 &end
#
#  60 TYR  HN     61 TRP  HD1     4.86  (#SUP  0.50  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 981, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  60 TYR  HN     61 TRP  HN      3.16  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 973, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  60 TYR  QD     61 TRP  HD1     4.49  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 960, 969,
 &end
#
#  60 TYR  QD     61 TRP  HE1     4.01  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 960, 969,
 &end
#
#  61 TRP  HB2    62 CYX  HN      4.08  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat= 977, 997, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  61 TRP  HB2    94 ILE  QD1     4.33  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1468,1469,1470,
 &end
#
#  61 TRP  HB3    61 TRP  HE3     3.86  (#SUP  1.00  #QF  0.93)
 &rst
  ixpk= 1, nxpk= 0, iat= 978, 992, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  61 TRP  HB3    62 CYX  HN      4.08  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 997, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  61 TRP  HB3    72 CYX  HN      4.88  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1123, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  61 TRP  HB3    72 CYX  QB      4.29  (#SUP  0.47  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1127,1128,
 &end
#
#  61 TRP  HB3    94 ILE  HG12    5.11  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1465, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  61 TRP  HB3    94 ILE  QD1     4.25  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1468,1469,1470,
 &end
#
#  61 TRP  HD1    94 ILE  QD1     4.10  (#SUP  0.64  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1468,1469,1470,
 &end
#
#  61 TRP  HE1    94 ILE  QD1     4.84  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1468,1469,1470,
 &end
#
#  61 TRP  HE1    94 ILE  QG2     4.19  (#SUP  0.25  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1461,1462,1463,
 &end
#
#  61 TRP  HE3    71 ASP  QB      3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1115,1116,
 &end
#
#  61 TRP  HE3    72 CYX  HN      4.29  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1123, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  61 TRP  HH2    94 ILE  HA      4.35  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1457, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  61 TRP  HH2    94 ILE  QG2     4.75  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1461,1462,1463,
 &end
#
#  61 TRP  HH2    97 ARG  HB2     4.60  (#SUP  0.30  #QF  0.30)
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1521, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  61 TRP  HH2    97 ARG  HB3     5.50  (#SUP  0.70  #QF  0.28)
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 TRP  HH2    97 ARG  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1524,1525,
 &end
#
#  61 TRP  HN     61 TRP  HB2     3.72  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  61 TRP  HN     61 TRP  HB3     3.95  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  61 TRP  HN     61 TRP  HD1     4.05  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 981, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  61 TRP  HN     62 CYX  HN      3.70  (#SUP  0.81  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  61 TRP  HZ2   102 ALA  HA      5.50  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  61 TRP  HZ2   102 ALA  QB      5.00  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1618,1619,1620,
 &end
#
#  61 TRP  HZ2    94 ILE  HA      5.04  (#SUP  1.00  #QF  0.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 986,1457, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  61 TRP  HZ2    94 ILE  HG12    4.92  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1465, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  61 TRP  HZ2    94 ILE  QG2     4.05  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1461,1462,1463,
 &end
#
#  61 TRP  HZ2    98 HIS  HD2     5.03  (#SUP  0.96  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1554, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  61 TRP  HZ3    71 ASP  QB      3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1115,1116,
 &end
#
#  61 TRP  HZ3    93 LYS  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1437,1438,
 &end
#
#  61 TRP  HZ3    93 LYS  QD      5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1443,1444,
 &end
#
#  61 TRP  HZ3    93 LYS  QG      4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1440,1441,
 &end
#
#  62 CYX  HA     63 SER  HB2     4.93  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1011, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  62 CYX  HA     63 SER  HB3     5.19  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1012, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  62 CYX  HA     63 SER  HN      2.92  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1007, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  62 CYX  HA     69 GLY  HN      5.06  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1082, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  62 CYX  HA     70 LYS  QB      3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1093,1094,
 &end
#
#  62 CYX  HA     70 LYS  QG      4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1096,1097,
 &end
#
#  62 CYX  HA     74 VAL  HN      3.90  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1147, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  62 CYX  HA     74 VAL  QG1     3.52  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1153,1154,1155,
 &end
#
#  62 CYX  HA     74 VAL  QG2     4.79  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1157,1158,1159,
 &end
#
#  62 CYX  HA     76 CYX  HA      5.26  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1187, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  62 CYX  HA     76 CYX  HN      4.65  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat= 999,1185, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  62 CYX  HA     79 LEU  QD1     4.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1227,1228,1229,
 &end
#
#  62 CYX  HB2    63 SER  HB3     5.07  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1012, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  62 CYX  HB2    63 SER  HN      3.36  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1007, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  62 CYX  HB2    74 VAL  HN      5.50  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 CYX  HB2    74 VAL  QG1     3.74  (#SUP  0.57  #QF  0.39)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1153,1154,1155,
 &end
#
#  62 CYX  HB2    74 VAL  QG2     4.36  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1157,1158,1159,
 &end
#
#  62 CYX  HB2    76 CYX  HA      3.40  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1001,1187, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  62 CYX  HB2    76 CYX  HB3     4.86  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1190, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  62 CYX  HB2    76 CYX  HN      3.77  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1001,1185, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  62 CYX  HB2    79 LEU  HG      4.51  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1225, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  62 CYX  HB2    79 LEU  QD1     3.64  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1227,1228,1229,
 &end
#
#  62 CYX  HB3    63 SER  HN      3.71  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  62 CYX  HB3    74 VAL  QG1     3.44  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1153,1154,1155,
 &end
#
#  62 CYX  HB3    74 VAL  QG2     4.29  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1157,1158,1159,
 &end
#
#  62 CYX  HB3    76 CYX  HA      3.80  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1002,1187, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  62 CYX  HB3    76 CYX  HN      4.38  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1185, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  62 CYX  HB3    79 LEU  HG      5.07  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1225, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  62 CYX  HB3    79 LEU  QD1     3.51  (#SUP  0.96  #QF  0.34)
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1227,1228,1229,
 &end
#
#  62 CYX  HN     70 LYS  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1093,1094,
 &end
#
#  62 CYX  HN     70 LYS  QD      5.13  (#SUP  0.58  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1099,1100,
 &end
#
#  62 CYX  HN     70 LYS  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1096,1097,
 &end
#
#  63 SER  HB2    64 LYS  HN      4.25  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1011,1018, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  63 SER  HB2    65 GLY  HN      5.00  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 SER  HB2    69 GLY  HA2     5.12  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1084, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  63 SER  HB2    69 GLY  HA3     4.50  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1085, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 SER  HB2    69 GLY  HN      3.67  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1082, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  63 SER  HB2    70 LYS  HG2     4.33  (#SUP  0.89  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1096, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  63 SER  HB2    70 LYS  HG3     4.33  (#SUP  0.47  #QF  0.47)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1097, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  63 SER  HB2    70 LYS  HN      4.94  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1089, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  63 SER  HB2    70 LYS  QB      4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1093,1094,
 &end
#
#  63 SER  HB2    74 VAL  HN      5.50  (#SUP  1.00  #QF  0.97)
 &rst
  ixpk= 1, nxpk= 0, iat=1011,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 SER  HB2    75 LYS  HB2     5.50  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 SER  HB2    76 CYX  HN      5.33  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1011,1185, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  63 SER  HB3    64 LYS  HN      4.45  (#SUP  0.95  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1018, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  63 SER  HB3    69 GLY  HN      4.16  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1082, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  63 SER  HB3    76 CYX  HN      4.72  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  63 SER  HN     63 SER  HB2     3.41  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1011, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  63 SER  HN     63 SER  HB3     3.11  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1012, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  63 SER  HN     64 LYS  HA      5.29  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1020, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  63 SER  HN     64 LYS  HN      4.64  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1018, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  63 SER  HN     69 GLY  HN      4.52  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1082, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  63 SER  HN     70 LYS  QB      4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1093,1094,
 &end
#
#  63 SER  HN     70 LYS  QD      5.50  (#SUP  0.99  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#  63 SER  HN     70 LYS  QG      4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1096,1097,
 &end
#
#  63 SER  HN     74 VAL  HN      4.46  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1147, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  63 SER  HN     74 VAL  QG1     4.29  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1153,1154,1155,
 &end
#
#  63 SER  HN     74 VAL  QG2     5.21  (#SUP  0.86  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1157,1158,1159,
 &end
#
#  63 SER  HN     75 LYS  HB2     5.05  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  63 SER  HN     75 LYS  HG2     5.50  (#SUP  0.86  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 SER  HN     75 LYS  HG3     5.35  (#SUP  0.90  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1171, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  63 SER  HN     76 CYX  HA      5.06  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1187, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  63 SER  HN     76 CYX  HN      3.81  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1007,1185, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  63 SER  HN     79 LEU  QD1     5.50  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1227,1228,1229,
 &end
#
#  64 LYS  HA     64 LYS  HG2     4.24  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  64 LYS  HA     64 LYS  HG3     4.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1020,1026, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  64 LYS  HA     64 LYS  QB      2.89  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1022,1023,
 &end
#
#  64 LYS  HA     64 LYS  QD      4.68  (#SUP  0.82  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1028,1029,
 &end
#
#  64 LYS  HA     64 LYS  QE      5.38  (#SUP  0.71  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1031,1032,
 &end
#
#  64 LYS  HA     64 LYS  QG      3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1025,1026,
 &end
#
#  64 LYS  HA     76 CYX  HB2     3.99  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1189, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  64 LYS  HA     76 CYX  HB3     4.97  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1190, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  64 LYS  HA     76 CYX  HN      4.57  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1185, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  64 LYS  HG2    64 LYS  QE      3.86  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1031,1032,
 &end
#
#  64 LYS  HG2    65 GLY  HN      4.22  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1040, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  64 LYS  HG3    64 LYS  QE      3.86  (#SUP  0.83  #QF  0.53)
 &rst
  ixpk= 0, nxpk= 0, iat=1026,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1031,1032,
 &end
#
#  64 LYS  HG3    65 GLY  HN      4.22  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1026,1040, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  64 LYS  HN     64 LYS  HG2     4.06  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  64 LYS  HN     64 LYS  HG3     4.06  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  64 LYS  HN     64 LYS  QB      3.27  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1022,1023,
 &end
#
#  64 LYS  HN     64 LYS  QD      4.56  (#SUP  0.65  #QF  0.65)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1028,1029,
 &end
#
#  64 LYS  HN     64 LYS  QE      4.77  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1031,1032,
 &end
#
#  64 LYS  HN     64 LYS  QG      3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1025,1026,
 &end
#
#  64 LYS  HN     65 GLY  HN      3.28  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  64 LYS  HN     70 LYS  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1096,1097,
 &end
#
#  64 LYS  HN     75 LYS  HG3     5.50  (#SUP  0.59  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  64 LYS  QB     64 LYS  QE      3.71  (#SUP  0.77  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1022,1023,
 igr2=1031,1032,
 &end
#
#  64 LYS  QB     65 GLY  HN      3.83  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1022,1023,
 &end
#
#  64 LYS  QB     65 GLY  QA      5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=1022,1023,
 igr2=1042,1043,
 &end
#
#  64 LYS  QD     64 LYS  QE      2.64  (#SUP  0.86  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1028,1029,
 igr2=1031,1032,
 &end
#
#  64 LYS  QD     65 GLY  HA2     5.45  (#SUP  0.82  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1028,1029,
 &end
#
#  64 LYS  QD     65 GLY  HA3     5.45  (#SUP  0.97  #QF  0.32)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1028,1029,
 &end
#
#  64 LYS  QD     65 GLY  QA      4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1028,1029,
 igr2=1042,1043,
 &end
#
#  64 LYS  QE     65 GLY  QA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1031,1032,
 igr2=1042,1043,
 &end
#
#  64 LYS  QG     64 LYS  QE      3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1025,1026,
 igr2=1031,1032,
 &end
#
#  64 LYS  QG     65 GLY  QA      4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1025,1026,
 igr2=1042,1043,
 &end
#
#  65 GLY  HA2    66 ALA  HN      3.01  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1047, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  65 GLY  HA2    67 SER  HN      4.34  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1057, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  65 GLY  HA3    66 ALA  HN      3.01  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  65 GLY  HA3    67 SER  HN      4.34  (#SUP  1.00  #QF  0.68)
 &rst
  ixpk= 1, nxpk= 0, iat=1043,1057, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  65 GLY  HN     65 GLY  QA      2.58 
 &rst
  ixpk= 1, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2=1042,1043,
 &end
#
#  65 GLY  QA     66 ALA  HN      2.58 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr1=1042,1043,
 &end
#
#  65 GLY  QA     66 ALA  QB      4.31 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1042,1043,
 igr2=1051,1052,1053,
 &end
#
#  65 GLY  QA     67 SER  HN      3.79 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1042,1043,
 &end
#
#  66 ALA  HA     75 LYS  QD      4.09 
 &rst
  ixpk= 1, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1173,1174,
 &end
#
#  66 ALA  HA     75 LYS  QE      3.83 
 &rst
  ixpk= 1, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1176,1177,
 &end
#
#  66 ALA  HN     66 ALA  QB      2.76  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2=1051,1052,1053,
 &end
#
#  66 ALA  HN     67 SER  HN      3.06  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1057, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  66 ALA  HN     67 SER  QB      4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1061,1062,
 &end
#
#  66 ALA  QB     67 SER  HA      4.68  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1051,1052,1053,
 &end
#
#  66 ALA  QB     67 SER  HB2     5.23  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1051,1052,1053,
 &end
#
#  66 ALA  QB     67 SER  HB3     5.23  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1062, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1051,1052,1053,
 &end
#
#  66 ALA  QB     67 SER  HN      3.63  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1051,1052,1053,
 &end
#
#  66 ALA  QB     67 SER  QB      4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1051,1052,1053,
 igr2=1061,1062,
 &end
#
#  66 ALA  QB     75 LYS  QE      4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1051,1052,1053,
 igr2=1176,1177,
 &end
#
#  67 SER  HA     68 PRO  HD2     3.02  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1069, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  67 SER  HA     68 PRO  HD3     3.08  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1070, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  67 SER  HA     68 PRO  QG      4.56  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1072,1073,
 &end
#
#  67 SER  HA     75 LYS  QD      4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1173,1174,
 &end
#
#  67 SER  HN     67 SER  HB2     3.96  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1057,1061, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  67 SER  HN     67 SER  HB3     3.96  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1062, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  67 SER  HN     67 SER  QB      3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2=1061,1062,
 &end
#
#  67 SER  HN     68 PRO  HD2     5.16  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1069, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  67 SER  HN     75 LYS  HD2     5.05  (#SUP  0.99  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  67 SER  HN     75 LYS  HD3     5.05  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  67 SER  HN     75 LYS  HG2     5.17  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1170, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  67 SER  HN     75 LYS  QD      4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1173,1174,
 &end
#
#  67 SER  HN     75 LYS  QE      5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1176,1177,
 &end
#
#  67 SER  QB     68 PRO  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1061,1062,
 igr2=1072,1073,
 &end
#
#  68 PRO  HA     69 GLY  HN      2.85  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  68 PRO  HA     74 VAL  HN      4.75  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1147, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  68 PRO  HA     75 LYS  HB2     3.54  (#SUP  0.85  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1167, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  68 PRO  HA     75 LYS  HB3     4.98  (#SUP  0.73  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1168, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  68 PRO  HA     75 LYS  HG3     3.42  (#SUP  0.46  #QF  0.46)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1171, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  68 PRO  HA     75 LYS  HN      4.28  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1163, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  68 PRO  HA     75 LYS  QD      5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1173,1174,
 &end
#
#  68 PRO  HB2    69 GLY  HN      3.82  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  68 PRO  HB3    69 GLY  HN      3.87  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1082, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  68 PRO  HB3    74 VAL  HN      4.47  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1147, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  68 PRO  HB3    75 LYS  HB2     2.54  (#SUP  0.38  #QF  0.38)
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1167, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04,  &end
#
#  68 PRO  HB3    75 LYS  HN      4.20  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1163, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  68 PRO  HD2    75 LYS  QD      4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1069,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1173,1174,
 &end
#
#  68 PRO  HD3    75 LYS  HG3     4.66  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1171, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  68 PRO  HD3    75 LYS  HN      5.03  (#SUP  0.99  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1163, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  69 GLY  HA2    70 LYS  HN      3.13  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  69 GLY  HA2    73 ASN  HA      3.62  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1135, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  69 GLY  HA2    73 ASN  HN      5.11  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1133, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  69 GLY  HA2    73 ASN  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1084,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1137,1138,
 &end
#
#  69 GLY  HA2    74 VAL  HN      5.29  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1147, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  69 GLY  HN     70 LYS  HN      3.84  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  69 GLY  HN     70 LYS  QG      4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2=1096,1097,
 &end
#
#  69 GLY  HN     73 ASN  HA      3.95  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1135, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  69 GLY  HN     73 ASN  HN      4.62  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  69 GLY  HN     74 VAL  HN      3.53  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1082,1147, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  69 GLY  HN     74 VAL  QG1     5.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1153,1154,1155,
 &end
#
#  69 GLY  HN     75 LYS  HN      5.44  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1163, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  70 LYS  HA     70 LYS  HG2     3.87  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  70 LYS  HA     70 LYS  HG3     3.87  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  70 LYS  HA     70 LYS  QD      3.57  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1099,1100,
 &end
#
#  70 LYS  HA     70 LYS  QE      4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1102,1103,
 &end
#
#  70 LYS  HA     70 LYS  QG      3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1096,1097,
 &end
#
#  70 LYS  HA     72 CYX  HN      4.98  (#SUP  0.98  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1123, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  70 LYS  HB2    71 ASP  HN      3.77  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1093,1111, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  70 LYS  HB2    73 ASN  HN      4.92  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  70 LYS  HB3    71 ASP  HN      3.77  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  70 LYS  HB3    73 ASN  HN      4.92  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  70 LYS  HG2    71 ASP  HN      4.64  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1096,1111, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  70 LYS  HG3    71 ASP  HN      4.64  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1097,1111, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  70 LYS  HN     70 LYS  HB2     4.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  70 LYS  HN     70 LYS  HB3     4.15  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  70 LYS  HN     70 LYS  QB      3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1093,1094,
 &end
#
#  70 LYS  HN     70 LYS  QD      5.50  (#SUP  0.99  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#  70 LYS  HN     70 LYS  QG      4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1096,1097,
 &end
#
#  70 LYS  HN     71 ASP  HN      4.85  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1111, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  70 LYS  HN     73 ASN  HA      2.75  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1135, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#  70 LYS  HN     73 ASN  HN      4.40  (#SUP  0.50  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  70 LYS  HN     74 VAL  HN      4.30  (#SUP  0.78  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1147, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  70 LYS  QB     70 LYS  QD      3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1093,1094,
 igr2=1099,1100,
 &end
#
#  70 LYS  QB     71 ASP  HN      2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1=1093,1094,
 &end
#
#  70 LYS  QB     73 ASN  HN      4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1093,1094,
 &end
#
#  70 LYS  QB     74 VAL  HN      4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1093,1094,
 &end
#
#  70 LYS  QD     71 ASP  HN      4.57  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1099,1100,
 &end
#
#  70 LYS  QG     70 LYS  QE      3.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1096,1097,
 igr2=1102,1103,
 &end
#
#  70 LYS  QG     71 ASP  HN      4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1096,1097,
 &end
#
#  71 ASP  HB2    72 CYX  HN      4.97  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1123, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  71 ASP  HB3    72 CYX  HN      4.97  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1123, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  71 ASP  HN     71 ASP  HB2     3.73  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  71 ASP  HN     71 ASP  HB3     3.73  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  71 ASP  HN     71 ASP  QB      3.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1115,1116,
 &end
#
#  71 ASP  HN     72 CYX  HN      4.13  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1123, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  71 ASP  QB     72 CYX  HN      4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1115,1116,
 &end
#
#  72 CYX  HA     90 CYX  HB2     5.10  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1395, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  72 CYX  HN     72 CYX  QB      3.06  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1127,1128,
 &end
#
#  72 CYX  HN     73 ASN  HA      4.72  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1135, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  72 CYX  HN     73 ASN  HN      3.11  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1133, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  72 CYX  HN     74 VAL  HN      4.71  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  72 CYX  HN     74 VAL  QG1     4.34  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1153,1154,1155,
 &end
#
#  72 CYX  QB     73 ASN  HN      3.92  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1127,1128,
 &end
#
#  72 CYX  QB     74 VAL  HB      4.14  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1127,1128,
 &end
#
#  72 CYX  QB     74 VAL  HN      4.20  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1127,1128,
 &end
#
#  72 CYX  QB     74 VAL  QG1     3.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1127,1128,
 igr2=1153,1154,1155,
 &end
#
#  72 CYX  QB     74 VAL  QG2     4.46  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1127,1128,
 igr2=1157,1158,1159,
 &end
#
#  72 CYX  QB     90 CYX  HB2     3.55  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1127,1128,
 &end
#
#  72 CYX  QB     90 CYX  HB3     4.02  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1=1127,1128,
 &end
#
#  72 CYX  QB     90 CYX  HN      4.96  (#SUP  0.98  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1127,1128,
 &end
#
#  73 ASN  HA     74 VAL  HN      3.03  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  73 ASN  HA     74 VAL  QG1     4.42  (#SUP  0.59  #QF  0.59)
 &rst
  ixpk= 0, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1153,1154,1155,
 &end
#
#  73 ASN  HB2    74 VAL  HN      4.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1147, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  73 ASN  HB3    74 VAL  HN      4.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1147, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  73 ASN  HN     73 ASN  HA      2.73  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
#  73 ASN  HN     73 ASN  HB2     4.20  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  73 ASN  HN     73 ASN  HB3     4.20  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  73 ASN  HN     73 ASN  QB      3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1137,1138,
 &end
#
#  73 ASN  HN     74 VAL  HN      3.47  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  73 ASN  HN     74 VAL  QG1     5.04  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1153,1154,1155,
 &end
#
#  73 ASN  QB     73 ASN  QD2     2.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1137,1138,
 igr2=1142,1143,
 &end
#
#  73 ASN  QB     74 VAL  HN      4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1137,1138,
 &end
#
#  74 VAL  HN     74 VAL  HB      3.60  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  74 VAL  HN     74 VAL  QG1     3.21  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1153,1154,1155,
 &end
#
#  74 VAL  HN     74 VAL  QG2     3.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1157,1158,1159,
 &end
#
#  74 VAL  HN     75 LYS  HN      4.62  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  74 VAL  QG1    75 LYS  HN      4.20  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1153,1154,1155,
 &end
#
#  74 VAL  QG1    78 ASP  HB2     5.45  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1153,1154,1155,
 &end
#
#  74 VAL  QG1    90 CYX  HB2     4.05  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1153,1154,1155,
 &end
#
#  74 VAL  QG1    90 CYX  HB3     3.92  (#SUP  0.57  #QF  0.39)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1153,1154,1155,
 &end
#
#  74 VAL  QG2    75 LYS  HB3     4.45  (#SUP  0.85  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    75 LYS  HN      2.99  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    78 ASP  HB2     3.44  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    78 ASP  HB3     3.90  (#SUP  0.60  #QF  0.23)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    78 ASP  HN      4.63  (#SUP  0.89  #QF  0.48)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    79 LEU  HN      4.56  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1218, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    86 LYS  HG2     4.86  (#SUP  0.36  #QF  0.36)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    86 LYS  HG3     4.86  (#SUP  0.85  #QF  0.81)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1157,1158,1159,
 &end
#
#  74 VAL  QG2    86 LYS  QD      4.59  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1157,1158,1159,
 igr2=1337,1338,
 &end
#
#  74 VAL  QG2    90 CYX  HB2     4.67  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1157,1158,1159,
 &end
#
#  75 LYS  HB2    77 SER  HN      4.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1195, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  75 LYS  HB2    78 ASP  HN      4.49  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  75 LYS  HB3    75 LYS  QE      3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1176,1177,
 &end
#
#  75 LYS  HB3    76 CYX  HN      4.22  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  75 LYS  HB3    77 SER  HN      3.76  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1195, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  75 LYS  HB3    77 SER  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1199,1200,
 &end
#
#  75 LYS  HB3    78 ASP  HN      3.58  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1206, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  75 LYS  HG2    75 LYS  QE      3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1176,1177,
 &end
#
#  75 LYS  HG2    76 CYX  HN      4.01  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  75 LYS  HG2    77 SER  QB      3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1199,1200,
 &end
#
#  75 LYS  HG2    78 ASP  HN      4.82  (#SUP  0.89  #QF  0.48)
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1206, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  75 LYS  HG3    76 CYX  HN      3.88  (#SUP  0.51  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat=1171,1185, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  75 LYS  HN     75 LYS  HB2     3.20  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  75 LYS  HN     75 LYS  HB3     3.21  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1168, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  75 LYS  HN     75 LYS  QD      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1173,1174,
 &end
#
#  75 LYS  HN     78 ASP  HB2     4.10  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1210, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  75 LYS  HN     78 ASP  HB3     4.74  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1211, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  75 LYS  HN     78 ASP  HN      4.76  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1206, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  75 LYS  QD     76 CYX  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1173,1174,
 &end
#
#  75 LYS  QE     77 SER  HA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1176,1177,
 &end
#
#  75 LYS  QE     77 SER  HN      4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1176,1177,
 &end
#
#  75 LYS  QE     77 SER  QB      3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1176,1177,
 igr2=1199,1200,
 &end
#
#  76 CYX  HA     78 ASP  HN      4.52  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1206, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  76 CYX  HA     79 LEU  HB2     4.24  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1222, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  76 CYX  HA     79 LEU  HB3     5.23  (#SUP  0.98  #QF  0.20)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1223, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  76 CYX  HA     79 LEU  HG      3.39  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1225, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  76 CYX  HA     79 LEU  HN      4.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1187,1218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  76 CYX  HA     79 LEU  QD1     3.07  (#SUP  0.94  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1227,1228,1229,
 &end
#
#  76 CYX  HA     79 LEU  QD2     4.30  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1187,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1231,1232,1233,
 &end
#
#  76 CYX  HB2    77 SER  HN      3.84  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1195, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  76 CYX  HB3    77 SER  HN      3.69  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  76 CYX  HB3    77 SER  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1199,1200,
 &end
#
#  76 CYX  HN     76 CYX  HB2     3.24  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1189, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  76 CYX  HN     76 CYX  HB3     3.66  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1185,1190, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  76 CYX  HN     77 SER  HN      3.38  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  76 CYX  HN     78 ASP  HN      4.99  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1206, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  76 CYX  HN     79 LEU  HG      4.86  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1225, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  76 CYX  HN     79 LEU  HN      5.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 SER  HA     79 LEU  HN      4.53  (#SUP  0.73  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1218, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  77 SER  HA     80 LEU  HB2     4.79  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1241, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  77 SER  HA     80 LEU  HG      3.61  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  77 SER  HA     80 LEU  HN      4.15  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1237, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  77 SER  HA     80 LEU  QD1     3.35  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1246,1247,1248,
 &end
#
#  77 SER  HN     77 SER  HB2     3.01  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  77 SER  HN     77 SER  HB3     3.01  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  77 SER  HN     78 ASP  HN      3.30  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  77 SER  HN     79 LEU  HN      4.49  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  77 SER  HN     80 LEU  HG      5.50  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 SER  QB     78 ASP  HN      3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1199,1200,
 &end
#
#  77 SER  QB     80 LEU  QD1     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1199,1200,
 igr2=1246,1247,1248,
 &end
#
#  78 ASP  HB2    79 LEU  HN      4.02  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1218, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  78 ASP  HB2    79 LEU  QD2     4.89  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1231,1232,1233,
 &end
#
#  78 ASP  HB2    81 THR  QG2     5.08  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1262,1263,1264,
 &end
#
#  78 ASP  HB3    79 LEU  HG      5.50  (#SUP  0.91  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 ASP  HB3    79 LEU  HN      4.64  (#SUP  0.70  #QF  0.70)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  78 ASP  HB3    79 LEU  QD2     4.52  (#SUP  0.99  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1231,1232,1233,
 &end
#
#  78 ASP  HB3    81 THR  QG2     4.43  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1262,1263,1264,
 &end
#
#  78 ASP  HB3    86 LYS  HA      5.50  (#SUP  0.92  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 ASP  HB3    86 LYS  HB2     4.97  (#SUP  0.85  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1331, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  78 ASP  HB3    86 LYS  HB3     4.63  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1332, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  78 ASP  HB3    86 LYS  QD      3.84  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1337,1338,
 &end
#
#  78 ASP  HB3    86 LYS  QG      4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1334,1335,
 &end
#
#  78 ASP  HN     78 ASP  HB2     3.08  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  78 ASP  HN     78 ASP  HB3     3.62  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  78 ASP  HN     79 LEU  HB2     5.39  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1222, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  78 ASP  HN     79 LEU  HG      4.20  (#SUP  0.57  #QF  0.57)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  78 ASP  HN     79 LEU  HN      3.11  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1206,1218, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  78 ASP  HN     79 LEU  QD2     4.88  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1231,1232,1233,
 &end
#
#  78 ASP  HN     80 LEU  HN      4.45  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1237, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  78 ASP  HN     81 THR  QG2     5.50  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1262,1263,1264,
 &end
#
#  79 LEU  HA     79 LEU  QD1     4.27  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1227,1228,1229,
 &end
#
#  79 LEU  HA     79 LEU  QD2     3.11  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1231,1232,1233,
 &end
#
#  79 LEU  HA     87 ALA  HA      4.71  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1220,1351, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  79 LEU  HA     87 ALA  HN      4.62  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1349, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  79 LEU  HA     87 ALA  QB      3.56  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1353,1354,1355,
 &end
#
#  79 LEU  HB2    79 LEU  QD1     3.29  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1227,1228,1229,
 &end
#
#  79 LEU  HB2    79 LEU  QD2     3.66  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1231,1232,1233,
 &end
#
#  79 LEU  HB2    80 LEU  HN      4.34  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1222,1237, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  79 LEU  HB3    79 LEU  QD1     2.88  (#SUP  1.00  #QF  0.90)
 &rst
  ixpk= 1, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1227,1228,1229,
 &end
#
#  79 LEU  HB3    79 LEU  QD2     3.64  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1231,1232,1233,
 &end
#
#  79 LEU  HN     79 LEU  HB2     3.24  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1222, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  79 LEU  HN     79 LEU  HB3     4.08  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  79 LEU  HN     79 LEU  HG      2.89  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1225, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  79 LEU  HN     79 LEU  QD1     3.92  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1227,1228,1229,
 &end
#
#  79 LEU  HN     79 LEU  QD2     3.79  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1231,1232,1233,
 &end
#
#  79 LEU  HN     80 LEU  HN      3.06  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1218,1237, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  79 LEU  HN     81 THR  HN      4.41  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1256, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  79 LEU  HN     81 THR  QG2     4.79  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1262,1263,1264,
 &end
#
#  79 LEU  QD1    87 ALA  HA      4.30  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1227,1228,1229,
 &end
#
#  79 LEU  QD2    80 LEU  HN      4.93  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1237, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    86 LYS  HN      5.11  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    87 ALA  HA      2.87  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    87 ALA  HN      3.65  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    87 ALA  QB      2.88  (#SUP  0.99  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1231,1232,1233,
 igr2=1353,1354,1355,
 &end
#
#  79 LEU  QD2    88 ALA  HN      4.86  (#SUP  1.00  #QF  0.79)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    90 CYX  HB3     4.34  (#SUP  0.95  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1231,1232,1233,
 &end
#
#  79 LEU  QD2    90 CYX  HN      4.89  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1231,1232,1233,
 &end
#
#  80 LEU  HA     80 LEU  HG      3.24  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=1239,1244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  80 LEU  HA     80 LEU  QD1     4.29  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1246,1247,1248,
 &end
#
#  80 LEU  HA     80 LEU  QD2     3.05  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1250,1251,1252,
 &end
#
#  80 LEU  HB2    80 LEU  QD1     3.01  (#SUP  0.99  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1246,1247,1248,
 &end
#
#  80 LEU  HB2    81 THR  HN      3.89  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1256, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  80 LEU  HB3    80 LEU  QD1     3.45  (#SUP  0.97  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1246,1247,1248,
 &end
#
#  80 LEU  HB3    80 LEU  QD2     3.65  (#SUP  0.97  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1250,1251,1252,
 &end
#
#  80 LEU  HN     80 LEU  HB2     3.20  (#SUP  0.99  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1241, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  80 LEU  HN     80 LEU  HB3     4.03  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1242, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  80 LEU  HN     80 LEU  HG      3.33  (#SUP  0.99  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1244, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  80 LEU  HN     80 LEU  QD2     4.59  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1250,1251,1252,
 &end
#
#  80 LEU  HN     81 THR  HN      2.91  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#  80 LEU  HN     81 THR  QG2     4.35  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1262,1263,1264,
 &end
#
#  81 THR  HA     81 THR  QG2     3.83  (#SUP  0.90  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1262,1263,1264,
 &end
#
#  81 THR  HA     82 ASP  HA      4.48  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1272, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  81 THR  HA     82 ASP  HN      2.77  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
#  81 THR  HA     83 ASP  HN      4.62  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1282, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  81 THR  HN     81 THR  QG2     2.96  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1262,1263,1264,
 &end
#
#  81 THR  HN     82 ASP  HN      4.78  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  81 THR  QG2    82 ASP  HN      4.66  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1262,1263,1264,
 &end
#
#  81 THR  QG2    83 ASP  HN      4.63  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1262,1263,1264,
 &end
#
#  82 ASP  HA     84 ILE  QG2     5.04  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1300,1301,1302,
 &end
#
#  82 ASP  HB2    83 ASP  HN      4.42  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  82 ASP  HB3    83 ASP  HN      4.42  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1282, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  82 ASP  HN     82 ASP  HB2     3.77  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1274, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  82 ASP  HN     82 ASP  HB3     3.77  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  82 ASP  HN     82 ASP  QB      3.00 
 &rst
  ixpk= 1, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1274,1275,
 &end
#
#  82 ASP  HN     83 ASP  HN      3.27  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  82 ASP  QB     83 ASP  HN      3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1282, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1274,1275,
 &end
#
#  83 ASP  HB2    84 ILE  HN      4.42  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1286,1294, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  83 ASP  HB3    84 ILE  HN      4.42  (#SUP  0.78  #QF  0.78)
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1294, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  83 ASP  HN     83 ASP  HB2     3.74  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  83 ASP  HN     83 ASP  HB3     3.74  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1287, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  83 ASP  HN     83 ASP  QB      2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2=1286,1287,
 &end
#
#  83 ASP  HN     84 ILE  QG2     5.26  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1300,1301,1302,
 &end
#
#  83 ASP  QB     84 ILE  HN      3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1286,1287,
 &end
#
#  84 ILE  HB     84 ILE  QD1     3.18  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1307,1308,1309,
 &end
#
#  84 ILE  HB     85 THR  HN      5.43  (#SUP  0.99  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  84 ILE  HB     87 ALA  HN      4.81  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1349, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  84 ILE  HB     87 ALA  QB      3.72  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1353,1354,1355,
 &end
#
#  84 ILE  HB     88 ALA  HN      4.36  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1359, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  84 ILE  HB     88 ALA  QB      4.18  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1363,1364,1365,
 &end
#
#  84 ILE  HG12   85 THR  HB      5.13  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1317, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  84 ILE  HG12   85 THR  HN      3.84  (#SUP  0.91  #QF  0.23)
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  84 ILE  HG12   88 ALA  HN      5.50  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=1304,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 ILE  HG13   85 THR  HA      4.98  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  84 ILE  HG13   85 THR  HB      4.86  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1317, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  84 ILE  HG13   85 THR  HN      4.16  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1313, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  84 ILE  HN     84 ILE  HB      4.17  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1298, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  84 ILE  HN     84 ILE  HG12    3.26  (#SUP  0.97  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1304, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  84 ILE  HN     84 ILE  HG13    3.44  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1305, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  84 ILE  HN     84 ILE  QD1     4.24  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1307,1308,1309,
 &end
#
#  84 ILE  HN     84 ILE  QG2     2.97  (#SUP  0.97  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1300,1301,1302,
 &end
#
#  84 ILE  QD1    87 ALA  QB      4.62  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1307,1308,1309,
 igr2=1353,1354,1355,
 &end
#
#  84 ILE  QD1    88 ALA  HA      5.05  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1307,1308,1309,
 &end
#
#  84 ILE  QD1    88 ALA  HN      4.51  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1307,1308,1309,
 &end
#
#  84 ILE  QD1    88 ALA  QB      3.40  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1307,1308,1309,
 igr2=1363,1364,1365,
 &end
#
#  84 ILE  QG2    84 ILE  HG13    3.22  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1300,1301,1302,
 &end
#
#  84 ILE  QG2    84 ILE  QD1     2.95  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1300,1301,1302,
 igr2=1307,1308,1309,
 &end
#
#  84 ILE  QG2    87 ALA  QB      4.66  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1300,1301,1302,
 igr2=1353,1354,1355,
 &end
#
#  84 ILE  QG2    88 ALA  HN      5.50  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1300,1301,1302,
 &end
#
#  85 THR  HA     85 THR  QG2     3.22  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1319,1320,1321,
 &end
#
#  85 THR  HA     87 ALA  HN      4.83  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1349, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  85 THR  HB     86 LYS  HN      4.21  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1327, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  85 THR  HB     86 LYS  QD      5.50  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1337,1338,
 &end
#
#  85 THR  HB     88 ALA  HN      5.50  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 THR  HB     88 ALA  QB      4.08  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1363,1364,1365,
 &end
#
#  85 THR  HB     89 LYS  HN      5.50  (#SUP  0.99  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 THR  HN     85 THR  HB      3.26  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  85 THR  HN     85 THR  QG2     4.20  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1313,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1319,1320,1321,
 &end
#
#  85 THR  HN     86 LYS  HN      3.44  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1327, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  85 THR  QG2    86 LYS  HA      3.97  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1319,1320,1321,
 &end
#
#  85 THR  QG2    86 LYS  HN      3.33  (#SUP  0.98  #QF  0.38)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1319,1320,1321,
 &end
#
#  85 THR  QG2    86 LYS  QD      3.46  (#SUP  0.76  #QF  0.76)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1319,1320,1321,
 igr2=1337,1338,
 &end
#
#  85 THR  QG2    86 LYS  QG      4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1319,1320,1321,
 igr2=1334,1335,
 &end
#
#  86 LYS  HA     86 LYS  HB3     2.93  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1332, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  86 LYS  HA     86 LYS  QD      3.83  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1337,1338,
 &end
#
#  86 LYS  HA     86 LYS  QE      4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1340,1341,
 &end
#
#  86 LYS  HA     86 LYS  QG      3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1334,1335,
 &end
#
#  86 LYS  HA     89 LYS  HN      4.32  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1369, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  86 LYS  HA     89 LYS  QB      4.09  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1373,1374,
 &end
#
#  86 LYS  HB2    86 LYS  QE      4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1340,1341,
 &end
#
#  86 LYS  HB2    87 ALA  HN      4.21  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1349, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  86 LYS  HB3    86 LYS  QE      4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1340,1341,
 &end
#
#  86 LYS  HB3    87 ALA  HN      4.64  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1332,1349, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  86 LYS  HN     86 LYS  HB2     3.00  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86 LYS  HN     86 LYS  HB3     3.94  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1327,1332, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  86 LYS  HN     86 LYS  HG2     4.22  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1327,1334, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  86 LYS  HN     86 LYS  HG3     4.22  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  86 LYS  HN     86 LYS  QD      4.33  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1337,1338,
 &end
#
#  86 LYS  HN     86 LYS  QE      4.88 
 &rst
  ixpk= 1, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1340,1341,
 &end
#
#  86 LYS  HN     86 LYS  QG      3.53 
 &rst
  ixpk= 1, nxpk= 0, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1334,1335,
 &end
#
#  86 LYS  HN     87 ALA  HN      3.27  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1327,1349, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  86 LYS  HN     88 ALA  HN      4.58  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1359, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  86 LYS  QG     86 LYS  QE      3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#  87 ALA  HA     90 CYX  HB2     4.39  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1351,1395, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  87 ALA  HA     90 CYX  HB3     3.79  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1351,1396, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  87 ALA  HA     90 CYX  HN      3.66  (#SUP  0.64  #QF  0.64)
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1391, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  87 ALA  HN     87 ALA  QB      2.74  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1353,1354,1355,
 &end
#
#  87 ALA  HN     88 ALA  HN      3.24  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1349,1359, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  87 ALA  HN     88 ALA  QB      4.11  (#SUP  0.49  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1363,1364,1365,
 &end
#
#  87 ALA  HN     89 LYS  HN      4.71  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1369, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  87 ALA  QB     88 ALA  HA      4.47  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1353,1354,1355,
 &end
#
#  87 ALA  QB     88 ALA  HN      3.16  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1=1353,1354,1355,
 &end
#
#  87 ALA  QB     88 ALA  QB      4.07  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1353,1354,1355,
 igr2=1363,1364,1365,
 &end
#
#  87 ALA  QB     90 CYX  HB3     4.73  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1353,1354,1355,
 &end
#
#  87 ALA  QB     91 ALA  QB      4.12  (#SUP  0.51  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1353,1354,1355,
 igr2=1405,1406,1407,
 &end
#
#  88 ALA  HA     90 CYX  HN      5.01  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1391, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  88 ALA  HA     91 ALA  HN      3.78  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1401, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  88 ALA  HA     91 ALA  QB      3.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1405,1406,1407,
 &end
#
#  88 ALA  HA     92 LYS  HG2     5.32  (#SUP  0.88  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1418, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  88 ALA  HA     92 LYS  HN      4.51  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1411, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  88 ALA  HA     92 LYS  QD      4.67  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1421,1422,
 &end
#
#  88 ALA  HN     88 ALA  QB      2.78  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1363,1364,1365,
 &end
#
#  88 ALA  HN     89 LYS  HN      3.27  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1359,1369, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  88 ALA  HN     89 LYS  QB      4.93  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1373,1374,
 &end
#
#  88 ALA  HN     90 CYX  HN      4.50  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1359,1391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ALA  HN     91 ALA  QB      5.18  (#SUP  1.00  #QF  0.79)
 &rst
  ixpk= 1, nxpk= 0, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1405,1406,1407,
 &end
#
#  88 ALA  QB     89 LYS  HN      3.13  (#SUP  0.98  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=1363,1364,1365,
 &end
#
#  88 ALA  QB     89 LYS  QB      4.44  (#SUP  0.77  #QF  0.77)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1363,1364,1365,
 igr2=1373,1374,
 &end
#
#  88 ALA  QB     90 CYX  HN      5.24  (#SUP  0.99  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1363,1364,1365,
 &end
#
#  88 ALA  QB     91 ALA  HN      4.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1363,1364,1365,
 &end
#
#  88 ALA  QB     91 ALA  QB      4.01  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1363,1364,1365,
 igr2=1405,1406,1407,
 &end
#
#  88 ALA  QB     92 LYS  HN      4.85  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1=1363,1364,1365,
 &end
#
#  88 ALA  QB     92 LYS  QD      3.97  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1363,1364,1365,
 igr2=1421,1422,
 &end
#
#  89 LYS  HA     89 LYS  HG2     4.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1371,1376, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  89 LYS  HA     89 LYS  HG3     4.17  (#SUP  0.96  #QF  0.29)
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1377, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  89 LYS  HA     89 LYS  QB      2.82  (#SUP  0.49  #QF  0.49)
 &rst
  ixpk= 0, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2=1373,1374,
 &end
#
#  89 LYS  HA     89 LYS  QE      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1382,1383,
 &end
#
#  89 LYS  HA     89 LYS  QG      3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1376,1377,
 &end
#
#  89 LYS  HA     91 ALA  HN      5.03  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1401, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  89 LYS  HN     89 LYS  QB      2.79  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=1373,1374,
 &end
#
#  89 LYS  HN     89 LYS  QG      3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1376,1377,
 &end
#
#  89 LYS  HN     90 CYX  HB2     5.50  (#SUP  0.99  #QF  0.44)
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89 LYS  HN     90 CYX  HB3     5.27  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1396, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  89 LYS  HN     90 CYX  HN      3.15  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  89 LYS  HN     91 ALA  HN      4.66  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1369,1401, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  89 LYS  HN     91 ALA  QB      4.94  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1405,1406,1407,
 &end
#
#  89 LYS  QB     90 CYX  HB2     4.77  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1373,1374,
 &end
#
#  89 LYS  QB     90 CYX  HN      3.56  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1373,1374,
 &end
#
#  89 LYS  QB     91 ALA  HN      5.27  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1373,1374,
 &end
#
#  89 LYS  QB     91 ALA  QB      5.50  (#SUP  0.80  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,
 igr2=1405,1406,1407,
 &end
#
#  89 LYS  QG     89 LYS  QE      3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1376,1377,
 igr2=1382,1383,
 &end
#
#  89 LYS  QG     90 CYX  HN      4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1376,1377,
 &end
#
#  90 CYX  HB2    91 ALA  HN      4.07  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  90 CYX  HB3    91 ALA  HN      3.30  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  90 CYX  HB3    91 ALA  QB      4.81  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1405,1406,1407,
 &end
#
#  90 CYX  HN     90 CYX  HB2     2.98  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1395, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  90 CYX  HN     90 CYX  HB3     3.00  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90 CYX  HN     91 ALA  HN      3.19  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  90 CYX  HN     91 ALA  QB      4.20  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1405,1406,1407,
 &end
#
#  91 ALA  HA    103 TRP  HH2     3.89  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1639, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  91 ALA  HA    103 TRP  HZ2     3.58  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1637, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  91 ALA  HA     94 ILE  HB      3.89  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1403,1459, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  91 ALA  HA     94 ILE  QD1     3.37  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1468,1469,1470,
 &end
#
#  91 ALA  HA     94 ILE  QG2     4.92  (#SUP  0.83  #QF  0.53)
 &rst
  ixpk= 0, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1461,1462,1463,
 &end
#
#  91 ALA  HN     91 ALA  QB      2.83  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=1405,1406,1407,
 &end
#
#  91 ALA  HN     92 LYS  HN      3.37  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1411, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  91 ALA  HN     92 LYS  QB      5.16  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1415,1416,
 &end
#
#  91 ALA  HN     93 LYS  HN      4.74  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1433, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  91 ALA  HN     94 ILE  QD1     4.88  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1468,1469,1470,
 &end
#
#  91 ALA  QB    103 TRP  HH2     4.00  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1405,1406,1407,
 &end
#
#  91 ALA  QB    103 TRP  HZ2     3.73  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1405,1406,1407,
 &end
#
#  91 ALA  QB     92 LYS  HN      3.26  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1405,1406,1407,
 &end
#
#  91 ALA  QB     92 LYS  QE      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1405,1406,1407,
 igr2=1424,1425,
 &end
#
#  91 ALA  QB     94 ILE  HN      4.68  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1405,1406,1407,
 &end
#
#  91 ALA  QB     94 ILE  QD1     4.33  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1405,1406,1407,
 igr2=1468,1469,1470,
 &end
#
#  92 LYS  HA     92 LYS  HG2     3.47  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  92 LYS  HA     92 LYS  QB      2.86  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2=1415,1416,
 &end
#
#  92 LYS  HA     92 LYS  QD      3.25  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1421,1422,
 &end
#
#  92 LYS  HA     92 LYS  QE      4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1424,1425,
 &end
#
#  92 LYS  HA     93 LYS  HA      5.07  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1435, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  92 LYS  HA     95 TYR  HN      3.82  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  92 LYS  HA     95 TYR  QB      3.29  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1478,1479,
 &end
#
#  92 LYS  HG2    92 LYS  QE      3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1424,1425,
 &end
#
#  92 LYS  HG2    93 LYS  HN      4.42  (#SUP  0.85  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1418,1433, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  92 LYS  HG3    92 LYS  QE      3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1424,1425,
 &end
#
#  92 LYS  HG3    93 LYS  HN      4.95  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1433, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  92 LYS  HN     92 LYS  HE2     5.31  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1424, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  92 LYS  HN     92 LYS  HE3     5.31  (#SUP  0.67  #QF  0.67)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1425, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  92 LYS  HN     92 LYS  HG2     4.08  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1411,1418, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  92 LYS  HN     92 LYS  HG3     3.63  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1419, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  92 LYS  HN     92 LYS  QB      2.91  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2=1415,1416,
 &end
#
#  92 LYS  HN     92 LYS  QD      3.08  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1421,1422,
 &end
#
#  92 LYS  HN     92 LYS  QE      4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1424,1425,
 &end
#
#  92 LYS  HN     93 LYS  HN      3.26  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1433, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  92 LYS  HN     93 LYS  QB      5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1437,1438,
 &end
#
#  92 LYS  HN     95 TYR  QB      5.18  (#SUP  0.40  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1478,1479,
 &end
#
#  92 LYS  QB     92 LYS  QD      3.03  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1415,1416,
 igr2=1421,1422,
 &end
#
#  92 LYS  QB     93 LYS  HN      3.14  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1415,1416,
 &end
#
#  92 LYS  QB     95 TYR  QB      4.77  (#SUP  0.80  #QF  0.52)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1415,1416,
 igr2=1478,1479,
 &end
#
#  92 LYS  QD     93 LYS  HN      5.50  (#SUP  1.00  #QF  0.78)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1421,1422,
 &end
#
#  92 LYS  QE     95 TYR  QB      5.34 
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1424,1425,
 igr2=1478,1479,
 &end
#
#  93 LYS  HA     93 LYS  HG2     4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  93 LYS  HA     93 LYS  HG3     4.07  (#SUP  0.96  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1441, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  93 LYS  HA     93 LYS  QE      5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1446,1447,
 &end
#
#  93 LYS  HA     94 ILE  HG13    5.50  (#SUP  0.80  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  93 LYS  HA     96 LYS  HG2     4.74  (#SUP  0.51  #QF  0.51)
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1502, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  93 LYS  HA     96 LYS  HG3     4.74  (#SUP  0.96  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1503, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  93 LYS  HA     96 LYS  HN      3.88  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1495, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  93 LYS  HA     96 LYS  QG      4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1502,1503,
 &end
#
#  93 LYS  HN     93 LYS  HB2     3.42  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1437, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  93 LYS  HN     93 LYS  HB3     3.42  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1438, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  93 LYS  HN     93 LYS  HG2     4.84  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1440, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  93 LYS  HN     93 LYS  HG3     4.84  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  93 LYS  HN     93 LYS  QB      2.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2=1437,1438,
 &end
#
#  93 LYS  HN     93 LYS  QD      4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1443,1444,
 &end
#
#  93 LYS  HN     93 LYS  QG      4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1440,1441,
 &end
#
#  93 LYS  HN     94 ILE  HA      5.50  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  93 LYS  HN     94 ILE  HG13    4.84  (#SUP  0.85  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1466, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  93 LYS  HN     94 ILE  HN      3.31  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1455, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  93 LYS  HN     95 TYR  HN      4.87  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1474, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  93 LYS  HN     95 TYR  QB      5.11  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1478,1479,
 &end
#
#  93 LYS  QB     93 LYS  QE      4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1437,1438,
 igr2=1446,1447,
 &end
#
#  93 LYS  QB     94 ILE  HG13    4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1437,1438,
 &end
#
#  93 LYS  QB     94 ILE  HN      4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1437,1438,
 &end
#
#  93 LYS  QG     93 LYS  QE      3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1440,1441,
 igr2=1446,1447,
 &end
#
#  94 ILE  HA     94 ILE  HG12    3.98  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1465, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  94 ILE  HA     94 ILE  HG13    4.05  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1466, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  94 ILE  HA     94 ILE  QD1     4.27  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1468,1469,1470,
 &end
#
#  94 ILE  HA     94 ILE  QG2     3.55  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1461,1462,1463,
 &end
#
#  94 ILE  HA     96 LYS  HN      4.86  (#SUP  0.89  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1495, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  94 ILE  HA     97 ARG  HN      4.62  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1517, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  94 ILE  HA     97 ARG  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1524,1525,
 &end
#
#  94 ILE  HA     98 HIS  HD2     5.42  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1554, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  94 ILE  HA     98 HIS  HN      4.74  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1541, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  94 ILE  HB    103 TRP  HH2     3.58  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1459,1639, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  94 ILE  HB    103 TRP  HZ2     4.43  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1459,1637, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  94 ILE  HB     94 ILE  QD1     3.40  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1468,1469,1470,
 &end
#
#  94 ILE  HB     95 TYR  HN      3.46  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1459,1474, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  94 ILE  HB     95 TYR  QB      4.76  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1478,1479,
 &end
#
#  94 ILE  HG13   95 TYR  HN      4.79  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1474, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  94 ILE  HN    103 TRP  HH2     5.06  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,1639, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  94 ILE  HN     94 ILE  HB      3.52  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1455,1459, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  94 ILE  HN     94 ILE  HG12    3.93  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  94 ILE  HN     94 ILE  HG13    3.32  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,1466, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  94 ILE  HN     94 ILE  QD1     4.09  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1468,1469,1470,
 &end
#
#  94 ILE  HN     94 ILE  QG2     4.46  (#SUP  0.90  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1461,1462,1463,
 &end
#
#  94 ILE  HN     95 TYR  HN      3.76  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1455,1474, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  94 ILE  QD1   103 TRP  HZ2     3.57  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1468,1469,1470,
 &end
#
#  94 ILE  QG2   102 ALA  HA      5.05  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2   102 ALA  QB      2.93  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1461,1462,1463,
 igr2=1618,1619,1620,
 &end
#
#  94 ILE  QG2   103 TRP  HE3     5.10  (#SUP  0.54  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2   103 TRP  HH2     3.91  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2   103 TRP  HZ2     4.65  (#SUP  0.85  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2   103 TRP  HZ3     4.09  (#SUP  0.85  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    94 ILE  HG12    3.65  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    94 ILE  HG13    3.85  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    95 TYR  HA      4.35  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    95 TYR  HN      4.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    96 LYS  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1461,1462,1463,
 igr2=1499,1500,
 &end
#
#  94 ILE  QG2    98 HIS  HB2     4.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    98 HIS  HB3     4.73  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    98 HIS  HD2     3.66  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1461,1462,1463,
 &end
#
#  94 ILE  QG2    98 HIS  HN      4.46  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1461,1462,1463,
 &end
#
#  95 TYR  HA    103 TRP  HH2     4.98  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1639, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  95 TYR  HA    103 TRP  HZ3     4.39  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1641, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  95 TYR  HA     98 HIS  HN      3.84  (#SUP  0.90  #QF  0.23)
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1541, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  95 TYR  HA     99 ARG  HA      3.62  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1560, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  95 TYR  HA     99 ARG  HN      3.70  (#SUP  0.53  #QF  0.53)
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1558, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  95 TYR  HN    103 TRP  HH2     4.42  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1474,1639, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  95 TYR  HN    103 TRP  HZ3     5.30  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1474,1641, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  95 TYR  HN     95 TYR  QB      2.95  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2=1478,1479,
 &end
#
#  95 TYR  HN     96 LYS  HN      3.49  (#SUP  0.87  #QF  0.87)
 &rst
  ixpk= 0, nxpk= 0, iat=1474,1495, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  95 TYR  HN     96 LYS  QB      4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1499,1500,
 &end
#
#  95 TYR  QB    103 TRP  HH2     4.67  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1478,1479,
 &end
#
#  95 TYR  QB    103 TRP  HZ3     4.65  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1478,1479,
 &end
#
#  95 TYR  QB     96 LYS  HN      3.27  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1=1478,1479,
 &end
#
#  95 TYR  QB     96 LYS  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1478,1479,
 igr2=1499,1500,
 &end
#
#  95 TYR  QB     99 ARG  HA      4.84  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1478,1479,
 &end
#
#  95 TYR  QB     99 ARG  HN      4.97  (#SUP  0.74  #QF  0.74)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1478,1479,
 &end
#
#  95 TYR  QB     99 ARG  QG      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1478,1479,
 igr2=1565,1566,
 &end
#
#  95 TYR  QD     96 LYS  HA      4.79  (#SUP  0.42  #QF  0.42)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1482,1491,
 &end
#
#  95 TYR  QD     96 LYS  HN      4.92  (#SUP  0.58  #QF  0.58)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1482,1491,
 &end
#
#  95 TYR  QD     99 ARG  HA      4.03  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1482,1491,
 &end
#
#  96 LYS  HA     96 LYS  HG2     4.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1497,1502, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  96 LYS  HA     96 LYS  HG3     4.17  (#SUP  0.96  #QF  0.29)
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1503, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  96 LYS  HA     96 LYS  QD      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1505,1506,
 &end
#
#  96 LYS  HA     96 LYS  QE      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1508,1509,
 &end
#
#  96 LYS  HA     96 LYS  QG      3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1502,1503,
 &end
#
#  96 LYS  HA     98 HIS  HN      5.33  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1541, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  96 LYS  HN     96 LYS  HG2     4.17  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1495,1502, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  96 LYS  HN     96 LYS  HG3     4.17  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1503, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  96 LYS  HN     96 LYS  QB      2.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2=1499,1500,
 &end
#
#  96 LYS  HN     96 LYS  QD      4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1505,1506,
 &end
#
#  96 LYS  HN     96 LYS  QE      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1508,1509,
 &end
#
#  96 LYS  HN     96 LYS  QG      3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1502,1503,
 &end
#
#  96 LYS  HN     97 ARG  HN      3.36  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1495,1517, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  96 LYS  QB     97 ARG  HN      3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1499,1500,
 &end
#
#  96 LYS  QB     97 ARG  QG      4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1499,1500,
 igr2=1524,1525,
 &end
#
#  96 LYS  QB     98 HIS  HN      4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1499,1500,
 &end
#
#  96 LYS  QD     97 ARG  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1505,1506,
 &end
#
#  97 ARG  HA     97 ARG  HD2     4.24  (#SUP  0.84  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat=1519,1527, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  97 ARG  HA     97 ARG  HD3     4.24  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1519,1528, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  97 ARG  HA     97 ARG  HG2     4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  97 ARG  HA     97 ARG  HG3     4.07  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1519,1525, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  97 ARG  HA     97 ARG  QD      3.68 
 &rst
  ixpk= 1, nxpk= 0, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1527,1528,
 &end
#
#  97 ARG  HA     97 ARG  QG      3.55 
 &rst
  ixpk= 1, nxpk= 0, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1524,1525,
 &end
#
#  97 ARG  HB2    97 ARG  HE      4.94  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1530, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  97 ARG  HB2    98 HIS  HD2     4.03  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1554, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  97 ARG  HB2    98 HIS  HN      3.60  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  97 ARG  HB3    97 ARG  QD      3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1527,1528,
 &end
#
#  97 ARG  HB3    98 HIS  HD2     3.96  (#SUP  0.93  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1554, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  97 ARG  HB3    98 HIS  HN      3.77  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1522,1541, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  97 ARG  HN     97 ARG  HB2     3.22  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1521, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  97 ARG  HN     97 ARG  HB3     3.81  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1522, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  97 ARG  HN     97 ARG  HD2     5.50  (#SUP  0.95  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  97 ARG  HN     97 ARG  HD3     5.50  (#SUP  0.95  #QF  0.40)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  97 ARG  HN     97 ARG  HG2     4.36  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1524, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  97 ARG  HN     97 ARG  HG3     4.36  (#SUP  0.98  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1525, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  97 ARG  HN     97 ARG  QG      3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1517,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1524,1525,
 &end
#
#  97 ARG  HN     98 HIS  HD2     5.38  (#SUP  0.96  #QF  0.73)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1554, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  97 ARG  HN     98 HIS  HN      3.12  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1517,1541, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  97 ARG  QG     98 HIS  HN      4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1524,1525,
 &end
#
#  98 HIS  HB2   102 ALA  HN      4.46  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1545,1614, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  98 HIS  HB2   102 ALA  QB      3.44  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1618,1619,1620,
 &end
#
#  98 HIS  HB2    98 HIS  HD2     3.72  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1545,1554, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  98 HIS  HB3   101 ASP  HN      4.89  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1602, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  98 HIS  HB3   101 ASP  QB      4.15  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1606,1607,
 &end
#
#  98 HIS  HB3   102 ALA  HA      4.83  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1616, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  98 HIS  HB3   102 ALA  HN      4.20  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1546,1614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  98 HIS  HB3   102 ALA  QB      3.53  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1618,1619,1620,
 &end
#
#  98 HIS  HD2   102 ALA  QB      4.22  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1618,1619,1620,
 &end
#
#  98 HIS  HN    102 ALA  QB      4.78  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1618,1619,1620,
 &end
#
#  98 HIS  HN     98 HIS  HB2     3.28  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1545, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  98 HIS  HN     98 HIS  HB3     4.07  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1546, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  98 HIS  HN     98 HIS  HD2     4.20  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  98 HIS  HN     99 ARG  HA      4.58  (#SUP  0.61  #QF  0.61)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  98 HIS  HN     99 ARG  HB3     5.50  (#SUP  0.46  #QF  0.46)
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 ARG  HA     99 ARG  HD2     4.37  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1568, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  99 ARG  HA     99 ARG  HD3     4.37  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1569, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  99 ARG  HA     99 ARG  QG      3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1565,1566,
 &end
#
#  99 ARG  HB2   100 PHE  HN      3.91  (#SUP  0.95  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat=1562,1582, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  99 ARG  HB2   101 ASP  HN      5.50  (#SUP  1.00  #QF  0.32)
 &rst
  ixpk= 1, nxpk= 0, iat=1562,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 ARG  HB3   100 PHE  HN      4.53  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1582, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  99 ARG  HB3    99 ARG  HD2     3.76  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  99 ARG  HB3    99 ARG  HD3     3.76  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1563,1569, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  99 ARG  HB3    99 ARG  QD      3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1563,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1568,1569,
 &end
#
#  99 ARG  HG2   100 PHE  HN      4.13  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1565,1582, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  99 ARG  HG3   100 PHE  HN      4.13  (#SUP  0.95  #QF  0.35)
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1582, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  99 ARG  HN    100 PHE  HN      4.53  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1582, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  99 ARG  HN     99 ARG  HB3     4.09  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1558,1563, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  99 ARG  HN     99 ARG  HD2     4.66  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1568, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  99 ARG  HN     99 ARG  HD3     4.66  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1569, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  99 ARG  HN     99 ARG  QG      3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1565,1566,
 &end
#
#  99 ARG  QG    100 PHE  HN      3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1582, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1565,1566,
 &end
#
#  99 ARG  QG    101 ASP  HN      4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1565,1566,
 &end
#
# 100 PHE  HA    100 PHE  QD      3.75  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1590,1598,
 &end
#
# 100 PHE  HA    100 PHE  QE      4.56  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1592,1596,
 &end
#
# 100 PHE  HA    102 ALA  HN      4.80  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1614, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 100 PHE  HA    103 TRP  HB2     4.90  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1628, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 100 PHE  HA    103 TRP  HE3     3.59  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1643, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 100 PHE  HA    103 TRP  HN      4.73  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1624, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 100 PHE  HA    103 TRP  HZ3     4.03  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1584,1641, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 100 PHE  HN    100 PHE  QB      3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1586,1587,
 &end
#
# 100 PHE  HN    101 ASP  HN      3.66  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1582,1602, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 100 PHE  QB    103 TRP  HE3     5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1586,1587,
 &end
#
# 100 PHE  QB    106 TRP  HZ2     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1586,1587,
 &end
#
# 100 PHE  QD    103 TRP  HE3     4.34  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1590,1598,
 &end
#
# 100 PHE  QD    103 TRP  HZ3     4.97  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1590,1598,
 &end
#
# 100 PHE  QD    106 TRP  HZ2     4.16  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1689, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1590,1598,
 &end
#
# 101 ASP  HA    103 TRP  HN      4.34  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1624, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 101 ASP  HA    106 TRP  HE3     4.46  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1695, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 101 ASP  HA    106 TRP  HZ3     4.50  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 ASP  HA    107 LYS  QG      5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1604,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1707,1708,
 &end
#
# 101 ASP  HN    101 ASP  QB      3.16  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1606,1607,
 &end
#
# 101 ASP  HN    102 ALA  HN      3.67  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1614, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 101 ASP  QB    102 ALA  HA      4.77  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1606,1607,
 &end
#
# 101 ASP  QB    102 ALA  HN      3.96  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1606,1607,
 &end
#
# 101 ASP  QB    102 ALA  QB      4.44  (#SUP  0.66  #QF  0.66)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1606,1607,
 igr2=1618,1619,1620,
 &end
#
# 101 ASP  QB    103 TRP  HN      4.99  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1606,1607,
 &end
#
# 102 ALA  HN    102 ALA  QB      3.06  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1618,1619,1620,
 &end
#
# 102 ALA  HN    103 TRP  HE3     4.19  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1643, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 102 ALA  HN    103 TRP  HN      3.51  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1624, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 102 ALA  HN    103 TRP  HZ3     4.74  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1641, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 102 ALA  QB    103 TRP  HE3     3.95  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1618,1619,1620,
 &end
#
# 102 ALA  QB    103 TRP  HN      3.85  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1618,1619,1620,
 &end
#
# 102 ALA  QB    103 TRP  HZ3     4.20  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1618,1619,1620,
 &end
#
# 103 TRP  HA    103 TRP  HD1     4.05  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1632, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 103 TRP  HA    104 TYR  HN      3.56  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1648, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 103 TRP  HA    104 TYR  QB      4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1652,1653,
 &end
#
# 103 TRP  HA    104 TYR  QD      5.50  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1656,1665,
 &end
#
# 103 TRP  HA    105 GLY  HN      4.86  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1669, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 103 TRP  HB2   103 TRP  HE3     4.12  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1628,1643, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 103 TRP  HB2   103 TRP  HZ3     5.33  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1641, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 103 TRP  HB2   106 TRP  HB2     4.43  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1680, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 103 TRP  HB2   106 TRP  HB3     4.22  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1681, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 103 TRP  HB2   106 TRP  HN      4.32  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1676, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 103 TRP  HB3   103 TRP  HD1     3.68  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1632, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 103 TRP  HB3   105 GLY  HN      5.00  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1669, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 103 TRP  HB3   106 TRP  HB2     5.03  (#SUP  0.69  #QF  0.33)
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1680, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 103 TRP  HB3   106 TRP  HB3     4.71  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1681, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 103 TRP  HB3   106 TRP  HN      4.23  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1676, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 103 TRP  HN    103 TRP  HB2     3.40  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1628, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 103 TRP  HN    103 TRP  HB3     3.79  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1629, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 103 TRP  HN    103 TRP  HE3     3.54  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1643, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 103 TRP  HN    103 TRP  HZ3     4.99  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1624,1641, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 104 TYR  HA    104 TYR  QD      3.63  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1656,1665,
 &end
#
# 104 TYR  HB2   105 GLY  HN      4.02  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1652,1669, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 104 TYR  HB3   105 GLY  HN      4.02  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1669, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 104 TYR  HN    104 TYR  HB2     3.55  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 104 TYR  HN    104 TYR  HB3     3.55  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1648,1653, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 104 TYR  HN    104 TYR  QD      4.30  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1656,1665,
 &end
#
# 104 TYR  HN    105 GLY  HN      4.06  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1648,1669, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 104 TYR  QB    105 GLY  QA      5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1652,1653,
 igr2=1671,1672,
 &end
#
# 104 TYR  QD    105 GLY  HN      4.11  (#SUP  0.98  #QF  0.38)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1669, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1656,1665,
 &end
#
# 104 TYR  QD    105 GLY  QA      4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1656,1665,
 igr2=1671,1672,
 &end
#
# 104 TYR  QD    107 LYS  HG2     5.11  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1707, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1656,1665,
 &end
#
# 104 TYR  QD    107 LYS  HG3     5.11  (#SUP  0.98  #QF  0.20)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1656,1665,
 &end
#
# 104 TYR  QD    107 LYS  QB      5.50  (#SUP  0.79  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1656,1665,
 igr2=1704,1705,
 &end
#
# 104 TYR  QD    107 LYS  QD      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1656,1665,
 igr2=1710,1711,
 &end
#
# 104 TYR  QD    107 LYS  QG      4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1656,1665,
 igr2=1707,1708,
 &end
#
# 105 GLY  HN    106 TRP  HB2     5.50  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1669,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 GLY  HN    106 TRP  HN      4.01  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1669,1676, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 105 GLY  QA    108 ASN  HN      4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1671,1672,
 &end
#
# 105 GLY  QA    108 ASN  QB      4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1671,1672,
 igr2=1726,1727,
 &end
#
# 105 GLY  QA    109 HIS  HD2     3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1749, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1671,1672,
 &end
#
# 105 GLY  QA    109 HIS  QB      5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1671,1672,
 igr2=1740,1741,
 &end
#
# 106 TRP  HA    107 LYS  HA      5.01  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1702, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 106 TRP  HA    108 ASN  HN      5.50  (#SUP  0.99  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 106 TRP  HA    109 HIS  HN      4.81  (#SUP  0.24  #QF  0.24)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1736, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 106 TRP  HA    110 CYX  HB2     4.33  (#SUP  0.56  #QF  0.56)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1757, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 106 TRP  HA    110 CYX  HB3     4.33  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1758, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 106 TRP  HA    110 CYX  HN      4.24  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=1678,1753, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 106 TRP  HA    110 CYX  QB      3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1678,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1757,1758,
 &end
#
# 106 TRP  HB2   107 LYS  HN      4.63  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1680,1700, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 106 TRP  HB3   107 LYS  HA      5.50  (#SUP  0.93  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 106 TRP  HB3   107 LYS  HN      4.13  (#SUP  0.72  #QF  0.72)
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1700, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 106 TRP  HB3   107 LYS  QG      4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1707,1708,
 &end
#
# 106 TRP  HD1   110 CYX  HB2     4.46  (#SUP  0.69  #QF  0.69)
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1757, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 106 TRP  HD1   110 CYX  HB3     4.46  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1758, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 106 TRP  HD1   110 CYX  QB      3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1757,1758,
 &end
#
# 106 TRP  HE1   110 CYX  HB2     4.50  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1686,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 TRP  HE1   110 CYX  HB3     4.50  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1686,1758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 106 TRP  HE1   110 CYX  QB      3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1757,1758,
 &end
#
# 106 TRP  HE1   114 LEU  QD1     5.19  (#SUP  0.93  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1807,1808,1809,
 &end
#
# 106 TRP  HE1   114 LEU  QD2     4.60  (#SUP  0.85  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1811,1812,1813,
 &end
#
# 106 TRP  HE3   107 LYS  HA      3.57  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1695,1702, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 106 TRP  HE3   107 LYS  HN      4.22  (#SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1, nxpk= 0, iat=1695,1700, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 106 TRP  HE3   107 LYS  QB      4.39  (#SUP  0.95  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1695,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1704,1705,
 &end
#
# 106 TRP  HE3   107 LYS  QG      4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1695,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1707,1708,
 &end
#
# 106 TRP  HN    106 TRP  HB2     3.94  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1680, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 106 TRP  HN    106 TRP  HB3     4.15  (#SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1, nxpk= 0, iat=1676,1681, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 106 TRP  HN    107 LYS  HN      3.76  (#SUP  0.92  #QF  0.92)
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1700, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 106 TRP  HN    108 ASN  HN      4.73  (#SUP  0.89  #QF  0.26)
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1722, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 106 TRP  HZ3   107 LYS  HA      4.41  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1693,1702, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 106 TRP  HZ3   107 LYS  QB      4.81  (#SUP  0.98  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1704,1705,
 &end
#
# 106 TRP  HZ3   107 LYS  QG      4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1707,1708,
 &end
#
# 107 LYS  HA    107 LYS  QG      3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1707,1708,
 &end
#
# 107 LYS  HA    110 CYX  HN      5.03  (#SUP  0.50  #QF  0.50)
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1753, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 107 LYS  HA    111 GLN  QE2     3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1775,1776,
 &end
#
# 107 LYS  HA    111 GLN  QG      4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1770,1771,
 &end
#
# 107 LYS  HN    107 LYS  QB      3.62  (#SUP  0.82  #QF  0.82)
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1704,1705,
 &end
#
# 107 LYS  HN    107 LYS  QG      4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1707,1708,
 &end
#
# 107 LYS  HN    108 ASN  HN      3.69  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1722, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 107 LYS  QB    108 ASN  HN      3.94  (#SUP  0.60  #QF  0.60)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1722, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1704,1705,
 &end
#
# 107 LYS  QG    108 ASN  HA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1707,1708,
 &end
#
# 108 ASN  HA    108 ASN  HD21    4.89  (#SUP  1.00  #QF  0.57)
 &rst
  ixpk= 1, nxpk= 0, iat=1724,1731, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 108 ASN  HA    108 ASN  HD22    4.89  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1724,1732, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 108 ASN  HN    108 ASN  QB      3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1726,1727,
 &end
#
# 108 ASN  HN    108 ASN  QD2     4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1731,1732,
 &end
#
# 108 ASN  HN    109 HIS  HN      3.37  (#SUP  0.91  #QF  0.91)
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1736, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 108 ASN  HN    110 CYX  HN      4.63  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1722,1753, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 108 ASN  QB    109 HIS  HN      4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1726,1727,
 &end
#
# 109 HIS  HB2   110 CYX  HN      4.87  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1753, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 109 HIS  HB3   110 CYX  HN      4.87  (#SUP  0.86  #QF  0.21)
 &rst
  ixpk= 0, nxpk= 0, iat=1741,1753, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 109 HIS  HN    109 HIS  HD2     4.61  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1749, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 109 HIS  HN    109 HIS  QB      3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1736,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1740,1741,
 &end
#
# 109 HIS  HN    110 CYX  HN      3.20  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1753, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 109 HIS  HN    111 GLN  HN      4.78  (#SUP  0.31  #QF  0.31)
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1763, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 109 HIS  QB    109 HIS  HE1     4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1745, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1740,1741,
 &end
#
# 109 HIS  QB    110 CYX  HN      4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1753, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=1740,1741,
 &end
#
# 110 CYX  HB2   114 LEU  QD2     3.95  (#SUP  0.68  #QF  0.68)
 &rst
  ixpk= 0, nxpk= 0, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1811,1812,1813,
 &end
#
# 110 CYX  HB3   114 LEU  QD2     3.95  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1811,1812,1813,
 &end
#
# 110 CYX  HN    110 CYX  HB2     3.92  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1753,1757, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 110 CYX  HN    110 CYX  HB3     3.92  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1753,1758, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 110 CYX  HN    110 CYX  QB      3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1753,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1757,1758,
 &end
#
# 110 CYX  HN    111 GLN  HN      3.50  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1753,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 110 CYX  HN    111 GLN  QE2     5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1753,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1775,1776,
 &end
#
# 110 CYX  HN    111 GLN  QG      5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1753,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1770,1771,
 &end
#
# 110 CYX  QB    111 GLN  HN      4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1763, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1757,1758,
 &end
#
# 110 CYX  QB    111 GLN  QE2     5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1757,1758,
 igr2=1775,1776,
 &end
#
# 110 CYX  QB    114 LEU  QD2     3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1757,1758,
 igr2=1811,1812,1813,
 &end
#
# 111 GLN  HA    111 GLN  QE2     4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1775,1776,
 &end
#
# 111 GLN  HN    111 GLN  HB2     3.67  (#SUP  0.71  #QF  0.54)
 &rst
  ixpk= 0, nxpk= 0, iat=1763,1767, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 111 GLN  HN    111 GLN  HB3     3.67  (#SUP  0.71  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1763,1768, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 111 GLN  HN    111 GLN  QB      3.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1763,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1767,1768,
 &end
#
# 111 GLN  HN    111 GLN  QE2     4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1763,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1775,1776,
 &end
#
# 111 GLN  HN    111 GLN  QG      4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1763,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1770,1771,
 &end
#
# 111 GLN  HN    112 GLY  HN      3.33  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1763,1780, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 111 GLN  HN    112 GLY  QA      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1763,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1782,1783,
 &end
#
# 111 GLN  QB    112 GLY  HN      4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1767,1768,
 &end
#
# 112 GLY  HN    113 SER  HN      3.87  (#SUP  0.97  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1787, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 112 GLY  QA    113 SER  HN      2.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr1=1782,1783,
 &end
#
# 113 SER  HA    114 LEU  HB2     4.90  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1789,1802, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 113 SER  HA    114 LEU  HN      2.67  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1789,1798, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17,  &end
#
# 113 SER  HN    113 SER  HB2     3.88  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 113 SER  HN    113 SER  HB3     3.88  (#SUP  0.94  #QF  0.94)
 &rst
  ixpk= 0, nxpk= 0, iat=1787,1792, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 113 SER  HN    113 SER  QB      3.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1791,1792,
 &end
#
# 113 SER  QB    114 LEU  HN      3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1791,1792,
 &end
#
# 114 LEU  HA    114 LEU  HG      4.26  (#SUP  0.84  #QF  0.84)
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1805, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 114 LEU  HA    114 LEU  QD1     4.06  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1807,1808,1809,
 &end
#
# 114 LEU  HA    114 LEU  QD2     2.98  (#SUP  0.86  #QF  0.86)
 &rst
  ixpk= 0, nxpk= 0, iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1811,1812,1813,
 &end
#
# 114 LEU  HA    115 PRO  HD2     3.37  (#SUP  0.88  #QF  0.88)
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 114 LEU  HA    115 PRO  HD3     3.18  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1819, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 114 LEU  HB2   114 LEU  QD1     3.31  (#SUP  0.99  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1802,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1807,1808,1809,
 &end
#
# 114 LEU  HB2   115 PRO  HD2     3.90  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1802,1818, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 114 LEU  HB2   115 PRO  HD3     4.89  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1802,1819, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 114 LEU  HB3   114 LEU  QD1     3.67  (#SUP  0.97  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1807,1808,1809,
 &end
#
# 114 LEU  HB3   114 LEU  QD2     3.86  (#SUP  0.97  #QF  0.85)
 &rst
  ixpk= 0, nxpk= 0, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1811,1812,1813,
 &end
#
# 114 LEU  HB3   115 PRO  HD2     3.39  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1803,1818, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 114 LEU  HB3   115 PRO  HD3     3.73  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1803,1819, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 114 LEU  HN    114 LEU  HB2     3.11  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1802, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 114 LEU  HN    114 LEU  HB3     3.66  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1803, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 114 LEU  HN    114 LEU  HG      3.15  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1805, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 114 LEU  HN    114 LEU  QD1     3.87  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1807,1808,1809,
 &end
#
# 114 LEU  HN    114 LEU  QD2     4.18  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1811,1812,1813,
 &end
#
# 114 LEU  HN    115 PRO  HD2     4.96  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1818, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 114 LEU  QD2   115 PRO  HD2     3.51  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1818, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1811,1812,1813,
 &end
#
# 114 LEU  QD2   115 PRO  HD3     3.52  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1819, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1811,1812,1813,
 &end
#
# 115 PRO  HA    116 ASP  HB2     4.81  (#SUP  0.90  #QF  0.90)
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1835, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 115 PRO  HA    116 ASP  HB3     4.81  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1836, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 115 PRO  HA    116 ASP  HN      2.76  (#SUP  0.96  #QF  0.96)
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1831, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 115 PRO  HA    116 ASP  QB      4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1827,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1835,1836,
 &end
#
# 115 PRO  HB2   116 ASP  HN      3.94  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1831, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 115 PRO  HB3   116 ASP  HN      3.94  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1825,1831, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 115 PRO  QB    117 ILE  QG2     4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1824,1825,
 igr2=1849,1850,1851,
 &end
#
# 115 PRO  QG    117 ILE  QG2     3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1821,1822,
 igr2=1849,1850,1851,
 &end
#
# 116 ASP  HA    117 ILE  HG12    4.94  (#SUP  0.63  #QF  0.63)
 &rst
  ixpk= 0, nxpk= 0, iat=1833,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 116 ASP  HA    117 ILE  HN      2.77  (#SUP  0.79  #QF  0.79)
 &rst
  ixpk= 0, nxpk= 0, iat=1833,1843, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 116 ASP  HA    118 SER  HN      3.81  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=1833,1862, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 116 ASP  HB2   117 ILE  HN      4.62  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1835,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 116 ASP  HB3   117 ILE  HN      4.62  (#SUP  0.97  #QF  0.97)
 &rst
  ixpk= 0, nxpk= 0, iat=1836,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 116 ASP  HN    116 ASP  HB2     3.20  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1835, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 116 ASP  HN    116 ASP  HB3     3.20  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1836, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 116 ASP  HN    117 ILE  HN      4.90  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1843, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 116 ASP  QB    117 ILE  HN      3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1843, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1835,1836,
 &end
#
# 116 ASP  QB    118 SER  HN      5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1835,1836,
 &end
#
# 116 ASP  QB    119 SER  HN      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1835,1836,
 &end
#
# 117 ILE  HB    117 ILE  QD1     3.53  (#SUP  0.62  #QF  0.62)
 &rst
  ixpk= 0, nxpk= 0, iat=1847,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1856,1857,1858,
 &end
#
# 117 ILE  HB    118 SER  HN      4.51  (#SUP  0.83  #QF  0.83)
 &rst
  ixpk= 0, nxpk= 0, iat=1847,1862, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 117 ILE  HB    120 CYX  HN      4.31  (#SUP  0.25  #QF  0.25)
 &rst
  ixpk= 0, nxpk= 0, iat=1847,1884, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 117 ILE  HG12  118 SER  HN      4.25  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1862, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 117 ILE  HG13  118 SER  HA      4.69  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1854,1864, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 117 ILE  HG13  118 SER  HN      4.29  (#SUP  0.95  #QF  0.95)
 &rst
  ixpk= 0, nxpk= 0, iat=1854,1862, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 117 ILE  HN    117 ILE  HB      4.02  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 117 ILE  HN    117 ILE  HG12    3.22  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 117 ILE  HN    117 ILE  HG13    3.77  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1854, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 117 ILE  HN    117 ILE  QD1     3.98  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1856,1857,1858,
 &end
#
# 117 ILE  HN    117 ILE  QG2     3.63  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1849,1850,1851,
 &end
#
# 117 ILE  HN    118 SER  HN      2.89  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1862, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 117 ILE  HN    118 SER  QB      5.11  (#SUP  0.89  #QF  0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1866,1867,
 &end
#
# 117 ILE  HN    119 SER  HN      4.82  (#SUP  0.93  #QF  0.93)
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1873, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 117 ILE  QD1   118 SER  HN      4.59  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1856,1857,1858,
 &end
#
# 117 ILE  QG2   117 ILE  HG12    3.03  (#SUP  0.80  #QF  0.80)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=1849,1850,1851,
 &end
#
# 117 ILE  QG2   117 ILE  HG13    3.69  (#SUP  1.00)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1854, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1849,1850,1851,
 &end
#
# 117 ILE  QG2   117 ILE  QD1     2.95  (#SUP  0.55  #QF  0.55)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1849,1850,1851,
 igr2=1856,1857,1858,
 &end
#
# 117 ILE  QG2   118 SER  HN      4.37  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1849,1850,1851,
 &end
#
# 118 SER  HA    120 CYX  HN      4.31  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1864,1884, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 118 SER  HN    118 SER  QB      2.97  (#SUP  0.75  #QF  0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=1862,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2=1866,1867,
 &end
#
# 118 SER  HN    119 SER  HN      3.31  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1873, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 118 SER  HN    120 CYX  HN      4.51  (#SUP  0.99  #QF  0.99)
 &rst
  ixpk= 0, nxpk= 0, iat=1862,1884, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 119 SER  HN    119 SER  HB2     3.57  (#SUP  0.82  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1877, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 119 SER  HN    119 SER  HB3     3.57  (#SUP  0.82  #QF  0.71)
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1878, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 119 SER  HN    119 SER  QB      2.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1877,1878,
 &end
#
# 119 SER  HN    120 CYX  HN      2.99  (#SUP  0.98  #QF  0.98)
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1884, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 119 SER  HN    120 CYX  QB      5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1888,1889,
 &end
#
# 119 SER  QB    120 CYX  HN      3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1877,1878,
 &end
#
# 120 CYX  HN    120 CYX  QB      2.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2=1888,1889,
 &end
# 1893 atoms read from pdb file leap.pdb.
# 9 LEU PHI:  (8 GLY C)-(9 LEU N)-(9 LEU CA)-(9 LEU C) -91.9 -31.9
 &rst     iat =   119,   121,   123,   138,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
   rk2 = 60.0, rk3 = 60.0,    &end
# 9 LEU PSI:  (9 LEU N)-(9 LEU CA)-(9 LEU C)-(10 VAL N) -71.6 -11.6
 &rst     iat =   121,   123,   138,   140,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end
# 10 VAL PHI:  (9 LEU C)-(10 VAL N)-(10 VAL CA)-(10 VAL C) -92.1 -32.1
 &rst     iat =   138,   140,   142,   154,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end
# 10 VAL PSI:  (10 VAL N)-(10 VAL CA)-(10 VAL C)-(11 HIE N) -72.9 -12.9
 &rst     iat =   140,   142,   154,   156,
   r1 = -73.9, r2 = -72.9, r3 = -12.9, r4 = -11.9,
 &end
# 11 HIS PHI:  (10 VAL C)-(11 HIE N)-(11 HIE CA)-(11 HIE C) -90.7 -30.7
 &rst     iat =   154,   156,   158,   171,
   r1 = -91.7, r2 = -90.7, r3 = -30.7, r4 = -29.7,
 &end
# 11 HIS PSI:  (11 HIE N)-(11 HIE CA)-(11 HIE C)-(12 GLU N) -64.3  -4.3
 &rst     iat =   156,   158,   171,   173,
   r1 = -65.3, r2 = -64.3, r3 =  -4.3, r4 =  -3.3,
 &end
# 12 GLU PHI:  (11 HIE C)-(12 GLU N)-(12 GLU CA)-(12 GLU C) -98.6 -38.6
 &rst     iat =   171,   173,   175,   186,
   r1 = -99.6, r2 = -98.6, r3 = -38.6, r4 = -37.6,
 &end
# 12 GLU PSI:  (12 GLU N)-(12 GLU CA)-(12 GLU C)-(13 LEU N) -70.3 -10.3
 &rst     iat =   173,   175,   186,   188,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end
# 13 LEU PHI:  (12 GLU C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -93.2 -33.2
 &rst     iat =   186,   188,   190,   205,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end
# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 ARG N) -66.2  -6.2
 &rst     iat =   188,   190,   205,   207,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end
# 14 ARG PHI:  (13 LEU C)-(14 ARG N)-(14 ARG CA)-(14 ARG C) -93.9 -33.9
 &rst     iat =   205,   207,   209,   229,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end
# 14 ARG PSI:  (14 ARG N)-(14 ARG CA)-(14 ARG C)-(15 LYS N) -65.3  -5.3
 &rst     iat =   207,   209,   229,   231,
   r1 = -66.3, r2 = -65.3, r3 =  -5.3, r4 =  -4.3,
 &end
# 15 LYS PHI:  (14 ARG C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -105.9 -45.9
 &rst     iat =   229,   231,   233,   251,
   r1 = -106.9, r2 = -105.9, r3 = -45.9, r4 = -44.9,
 &end
# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 HIE N) -47.0  13.0
 &rst     iat =   231,   233,   251,   253,
   r1 = -48.0, r2 = -47.0, r3 =  13.0, r4 =  14.0,
 &end
# 17 GLY PHI:  (16 HIE C)-(17 GLY N)-(17 GLY CA)-(17 GLY C)  52.8 112.8
 &rst     iat =   268,   270,   272,   275,
   r1 =  51.8, r2 =  52.8, r3 = 112.8, r4 = 113.8,
 &end
# 17 GLY PSI:  (17 GLY N)-(17 GLY CA)-(17 GLY C)-(18 PHE N) -16.1  43.9
 &rst     iat =   270,   272,   275,   277,
   r1 = -17.1, r2 = -16.1, r3 =  43.9, r4 =  44.9,
 &end
# 18 PHE PHI:  (17 GLY C)-(18 PHE N)-(18 PHE CA)-(18 PHE C) -113.4 -53.4
 &rst     iat =   275,   277,   279,   295,
   r1 = -114.4, r2 = -113.4, r3 = -53.4, r4 = -52.4,
 &end
# 18 PHE PSI:  (18 PHE N)-(18 PHE CA)-(18 PHE C)-(19 GLU N) 108.9 168.9
 &rst     iat =   277,   279,   295,   297,
   r1 = 107.9, r2 = 108.9, r3 = 168.9, r4 = 169.9,
 &end
# 19 GLU PHI:  (18 PHE C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -105.1 -45.1
 &rst     iat =   295,   297,   299,   310,
   r1 = -106.1, r2 = -105.1, r3 = -45.1, r4 = -44.1,
 &end
# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 GLU N)  99.5 159.5
 &rst     iat =   297,   299,   310,   312,
   r1 =  98.5, r2 =  99.5, r3 = 159.5, r4 = 160.5,
 &end
# 23 MET PHI:  (22 LEU C)-(23 MET N)-(23 MET CA)-(23 MET C) -88.1 -28.1
 &rst     iat =   358,   360,   362,   375,
   r1 = -89.1, r2 = -88.1, r3 = -28.1, r4 = -27.1,
 &end
# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 ARG N) -73.8 -13.8
 &rst     iat =   360,   362,   375,   377,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end
# 24 ARG PHI:  (23 MET C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -92.3 -32.3
 &rst     iat =   375,   377,   379,   399,
   r1 = -93.3, r2 = -92.3, r3 = -32.3, r4 = -31.3,
 &end
# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 ASN N) -67.6  -7.6
 &rst     iat =   377,   379,   399,   401,
   r1 = -68.6, r2 = -67.6, r3 =  -7.6, r4 =  -6.6,
 &end
# 25 ASN PHI:  (24 ARG C)-(25 ASN N)-(25 ASN CA)-(25 ASN C) -89.1 -29.1
 &rst     iat =   399,   401,   403,   413,
   r1 = -90.1, r2 = -89.1, r3 = -29.1, r4 = -28.1,
 &end
# 25 ASN PSI:  (25 ASN N)-(25 ASN CA)-(25 ASN C)-(26 TRP N) -74.1 -14.1
 &rst     iat =   401,   403,   413,   415,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &end
# 26 TRP PHI:  (25 ASN C)-(26 TRP N)-(26 TRP CA)-(26 TRP C) -94.7 -34.7
 &rst     iat =   413,   415,   417,   437,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end
# 26 TRP PSI:  (26 TRP N)-(26 TRP CA)-(26 TRP C)-(27 VAL N) -76.1 -16.1
 &rst     iat =   415,   417,   437,   439,
   r1 = -77.1, r2 = -76.1, r3 = -16.1, r4 = -15.1,
 &end
# 27 VAL PHI:  (26 TRP C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -93.5 -33.5
 &rst     iat =   437,   439,   441,   453,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end
# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 CYX N) -70.7 -10.7
 &rst     iat =   439,   441,   453,   455,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end
# 28 CYS CHI1:  (28 CYX N)-(28 CYX CA)-(28 CYX CB)-(28 CYX SG) 135.0 225.0
 &rst     iat =   455,   457,   459,   462,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) 135.0 225.0
 &rst     iat =   465,   467,   469,   472,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 29 LEU PHI:  (28 CYX C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -94.4 -34.4
 &rst     iat =   463,   465,   467,   482,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end
# 29 LEU PSI:  (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 VAL N) -75.2 -15.2
 &rst     iat =   465,   467,   482,   484,
   r1 = -76.2, r2 = -75.2, r3 = -15.2, r4 = -14.2,
 &end
# 30 VAL PHI:  (29 LEU C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -92.6 -32.6
 &rst     iat =   482,   484,   486,   498,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end
# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 GLU N) -76.2 -16.2
 &rst     iat =   484,   486,   498,   500,
   r1 = -77.2, r2 = -76.2, r3 = -16.2, r4 = -15.2,
 &end
# 31 GLU PHI:  (30 VAL C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -92.5 -32.5
 &rst     iat =   498,   500,   502,   513,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end
# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 HIE N) -69.6  -9.6
 &rst     iat =   500,   502,   513,   515,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end
# 41 THR PHI:  (40 LYS C)-(41 THR N)-(41 THR CA)-(41 THR C) -153.0 -93.0
 &rst     iat =   650,   652,   654,   664,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end
# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 ASN N) 112.8 172.8
 &rst     iat =   652,   654,   664,   666,
   r1 = 111.8, r2 = 112.8, r3 = 172.8, r4 = 173.8,
 &end
# 42 ASN PHI:  (41 THR C)-(42 ASN N)-(42 ASN CA)-(42 ASN C) -164.2 -104.2
 &rst     iat =   664,   666,   668,   678,
   r1 = -165.2, r2 = -164.2, r3 = -104.2, r4 = -103.2,
 &end
# 42 ASN PSI:  (42 ASN N)-(42 ASN CA)-(42 ASN C)-(43 THR N) 109.6 169.6
 &rst     iat =   666,   668,   678,   680,
   r1 = 108.6, r2 = 109.6, r3 = 169.6, r4 = 170.6,
 &end
# 43 THR PHI:  (42 ASN C)-(43 THR N)-(43 THR CA)-(43 THR C) -141.0 -81.0
 &rst     iat =   678,   680,   682,   692,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 43 THR PSI:  (43 THR N)-(43 THR CA)-(43 THR C)-(44 ASN N)  89.1 149.1
 &rst     iat =   680,   682,   692,   694,
   r1 =  88.1, r2 =  89.1, r3 = 149.1, r4 = 150.1,
 &end
# 49 LYS PHI:  (48 SER C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -177.8 -117.8
 &rst     iat =   762,   764,   766,   784,
   r1 = -178.8, r2 = -177.8, r3 = -117.8, r4 = -116.8,
 &end
# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 ASP N) 122.4 182.4
 &rst     iat =   764,   766,   784,   786,
   r1 = 121.4, r2 = 122.4, r3 = 182.4, r4 = 183.4,
 &end
# 50 ASP PHI:  (49 LYS C)-(50 ASP N)-(50 ASP CA)-(50 ASP C) -153.2 -93.2
 &rst     iat =   784,   786,   788,   796,
   r1 = -154.2, r2 = -153.2, r3 = -93.2, r4 = -92.2,
 &end
# 50 ASP PSI:  (50 ASP N)-(50 ASP CA)-(50 ASP C)-(51 TYR N) 120.2 180.2
 &rst     iat =   786,   788,   796,   798,
   r1 = 119.2, r2 = 120.2, r3 = 180.2, r4 = 181.2,
 &end
# 51 TYR PHI:  (50 ASP C)-(51 TYR N)-(51 TYR CA)-(51 TYR C) -158.3 -98.3
 &rst     iat =   796,   798,   800,   817,
   r1 = -159.3, r2 = -158.3, r3 = -98.3, r4 = -97.3,
 &end
# 51 TYR PSI:  (51 TYR N)-(51 TYR CA)-(51 TYR C)-(52 GLY N) 106.2 166.2
 &rst     iat =   798,   800,   817,   819,
   r1 = 105.2, r2 = 106.2, r3 = 166.2, r4 = 167.2,
 &end
# 56 ILE PHI:  (55 GLN C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -123.7 -63.7
 &rst     iat =   880,   882,   884,   899,
   r1 = -124.7, r2 = -123.7, r3 = -63.7, r4 = -62.7,
 &end
# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 ASN N) 105.7 165.7
 &rst     iat =   882,   884,   899,   901,
   r1 = 104.7, r2 = 105.7, r3 = 165.7, r4 = 166.7,
 &end
# 57 ASN PHI:  (56 ILE C)-(57 ASN N)-(57 ASN CA)-(57 ASN C) -161.9 -101.9
 &rst     iat =   899,   901,   903,   913,
   r1 = -162.9, r2 = -161.9, r3 = -101.9, r4 = -100.9,
 &end
# 57 ASN PSI:  (57 ASN N)-(57 ASN CA)-(57 ASN C)-(58 ASP N) 112.6 172.6
 &rst     iat =   901,   903,   913,   915,
   r1 = 111.6, r2 = 112.6, r3 = 172.6, r4 = 173.6,
 &end
# 72 CYS CHI1:  (72 CYX N)-(72 CYX CA)-(72 CYX CB)-(72 CYX SG) -105.0 -15.0
 &rst     iat =  1122,  1124,  1126,  1129,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 76 CYS CHI1:  (76 CYX N)-(76 CYX CA)-(76 CYX CB)-(76 CYX SG) -105.0 -15.0
 &rst     iat =  1184,  1186,  1188,  1191,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 85 THR PHI:  (84 ILE C)-(85 THR N)-(85 THR CA)-(85 THR C) -86.2 -26.2
 &rst     iat =  1310,  1312,  1314,  1324,
   r1 = -87.2, r2 = -86.2, r3 = -26.2, r4 = -25.2,
 &end
# 85 THR PSI:  (85 THR N)-(85 THR CA)-(85 THR C)-(86 LYS N) -77.9 -17.9
 &rst     iat =  1312,  1314,  1324,  1326,
   r1 = -78.9, r2 = -77.9, r3 = -17.9, r4 = -16.9,
 &end
# 86 LYS PHI:  (85 THR C)-(86 LYS N)-(86 LYS CA)-(86 LYS C) -93.3 -33.3
 &rst     iat =  1324,  1326,  1328,  1346,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
 &end
# 86 LYS PSI:  (86 LYS N)-(86 LYS CA)-(86 LYS C)-(87 ALA N) -71.0 -11.0
 &rst     iat =  1326,  1328,  1346,  1348,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 87 ALA PHI:  (86 LYS C)-(87 ALA N)-(87 ALA CA)-(87 ALA C) -93.8 -33.8
 &rst     iat =  1346,  1348,  1350,  1356,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end
# 87 ALA PSI:  (87 ALA N)-(87 ALA CA)-(87 ALA C)-(88 ALA N) -70.3 -10.3
 &rst     iat =  1348,  1350,  1356,  1358,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end
# 88 ALA PHI:  (87 ALA C)-(88 ALA N)-(88 ALA CA)-(88 ALA C) -93.4 -33.4
 &rst     iat =  1356,  1358,  1360,  1366,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end
# 88 ALA PSI:  (88 ALA N)-(88 ALA CA)-(88 ALA C)-(89 LYS N) -71.4 -11.4
 &rst     iat =  1358,  1360,  1366,  1368,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &end
# 89 LYS PHI:  (88 ALA C)-(89 LYS N)-(89 LYS CA)-(89 LYS C) -108.5 -48.5
 &rst     iat =  1366,  1368,  1370,  1388,
   r1 = -109.5, r2 = -108.5, r3 = -48.5, r4 = -47.5,
 &end
# 89 LYS PSI:  (89 LYS N)-(89 LYS CA)-(89 LYS C)-(90 CYX N) -57.1   2.9
 &rst     iat =  1368,  1370,  1388,  1390,
   r1 = -58.1, r2 = -57.1, r3 =   2.9, r4 =   3.9,
 &end
# 90 CYS CHI1:  (90 CYX N)-(90 CYX CA)-(90 CYX CB)-(90 CYX SG) 135.0 225.0
 &rst     iat =  1390,  1392,  1394,  1397,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end
# 91 ALA PHI:  (90 CYX C)-(91 ALA N)-(91 ALA CA)-(91 ALA C) -90.3 -30.3
 &rst     iat =  1398,  1400,  1402,  1408,
   r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3,
 &end
# 91 ALA PSI:  (91 ALA N)-(91 ALA CA)-(91 ALA C)-(92 LYS N) -72.0 -12.0
 &rst     iat =  1400,  1402,  1408,  1410,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 92 LYS PHI:  (91 ALA C)-(92 LYS N)-(92 LYS CA)-(92 LYS C) -92.8 -32.8
 &rst     iat =  1408,  1410,  1412,  1430,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end
# 92 LYS PSI:  (92 LYS N)-(92 LYS CA)-(92 LYS C)-(93 LYS N) -66.4  -6.4
 &rst     iat =  1410,  1412,  1430,  1432,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end
# 93 LYS PHI:  (92 LYS C)-(93 LYS N)-(93 LYS CA)-(93 LYS C) -92.0 -32.0
 &rst     iat =  1430,  1432,  1434,  1452,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 93 LYS PSI:  (93 LYS N)-(93 LYS CA)-(93 LYS C)-(94 ILE N) -73.8 -13.8
 &rst     iat =  1432,  1434,  1452,  1454,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end
# 94 ILE PHI:  (93 LYS C)-(94 ILE N)-(94 ILE CA)-(94 ILE C) -91.8 -31.8
 &rst     iat =  1452,  1454,  1456,  1471,
   r1 = -92.8, r2 = -91.8, r3 = -31.8, r4 = -30.8,
 &end
# 94 ILE PSI:  (94 ILE N)-(94 ILE CA)-(94 ILE C)-(95 TYR N) -72.8 -12.8
 &rst     iat =  1454,  1456,  1471,  1473,
   r1 = -73.8, r2 = -72.8, r3 = -12.8, r4 = -11.8,
 &end
# 95 TYR PHI:  (94 ILE C)-(95 TYR N)-(95 TYR CA)-(95 TYR C) -93.7 -33.7
 &rst     iat =  1471,  1473,  1475,  1492,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end
# 95 TYR PSI:  (95 TYR N)-(95 TYR CA)-(95 TYR C)-(96 LYS N) -71.8 -11.8
 &rst     iat =  1473,  1475,  1492,  1494,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end
# 96 LYS PHI:  (95 TYR C)-(96 LYS N)-(96 LYS CA)-(96 LYS C) -98.4 -38.4
 &rst     iat =  1492,  1494,  1496,  1514,
   r1 = -99.4, r2 = -98.4, r3 = -38.4, r4 = -37.4,
 &end
# 96 LYS PSI:  (96 LYS N)-(96 LYS CA)-(96 LYS C)-(97 ARG N) -62.4  -2.4
 &rst     iat =  1494,  1496,  1514,  1516,
   r1 = -63.4, r2 = -62.4, r3 =  -2.4, r4 =  -1.4,
 &end
# 97 ARG PHI:  (96 LYS C)-(97 ARG N)-(97 ARG CA)-(97 ARG C) -115.2 -55.2
 &rst     iat =  1514,  1516,  1518,  1538,
   r1 = -116.2, r2 = -115.2, r3 = -55.2, r4 = -54.2,
 &end
# 97 ARG PSI:  (97 ARG N)-(97 ARG CA)-(97 ARG C)-(98 HIE N) -53.9   6.1
 &rst     iat =  1516,  1518,  1538,  1540,
   r1 = -54.9, r2 = -53.9, r3 =   6.1, r4 =   7.1,
 &end
# 99 ARG PHI:  (98 HIE C)-(99 ARG N)-(99 ARG CA)-(99 ARG C) -115.2 -55.2
 &rst     iat =  1555,  1557,  1559,  1579,
   r1 = -116.2, r2 = -115.2, r3 = -55.2, r4 = -54.2,
 &end
# 99 ARG PSI:  (99 ARG N)-(99 ARG CA)-(99 ARG C)-(100 PHE N) -53.9   6.1
 &rst     iat =  1557,  1559,  1579,  1581,
   r1 = -54.9, r2 = -53.9, r3 =   6.1, r4 =   7.1,
 &end
# 101 ASP PHI:  (100 PHE C)-(101 ASP N)-(101 ASP CA)-(101 ASP C) -97.2 -37.2
 &rst     iat =  1599,  1601,  1603,  1611,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end
# 101 ASP PSI:  (101 ASP N)-(101 ASP CA)-(101 ASP C)-(102 ALA N) -51.8   8.2
 &rst     iat =  1601,  1603,  1611,  1613,
   r1 = -52.8, r2 = -51.8, r3 =   8.2, r4 =   9.2,
 &end
# 102 ALA PHI:  (101 ASP C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -116.3 -56.3
 &rst     iat =  1611,  1613,  1615,  1621,
   r1 = -117.3, r2 = -116.3, r3 = -56.3, r4 = -55.3,
 &end
# 102 ALA PSI:  (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 TRP N) -42.1  17.9
 &rst     iat =  1613,  1615,  1621,  1623,
   r1 = -43.1, r2 = -42.1, r3 =  17.9, r4 =  18.9,
 &end
# 104 TYR PHI:  (103 TRP C)-(104 TYR N)-(104 TYR CA)-(104 TYR C) -89.4 -29.4
 &rst     iat =  1645,  1647,  1649,  1666,
   r1 = -90.4, r2 = -89.4, r3 = -29.4, r4 = -28.4,
 &end
# 104 TYR PSI:  (104 TYR N)-(104 TYR CA)-(104 TYR C)-(105 GLY N) -59.0   1.0
 &rst     iat =  1647,  1649,  1666,  1668,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end
# 105 GLY PHI:  (104 TYR C)-(105 GLY N)-(105 GLY CA)-(105 GLY C) -93.7 -33.7
 &rst     iat =  1666,  1668,  1670,  1673,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end
# 105 GLY PSI:  (105 GLY N)-(105 GLY CA)-(105 GLY C)-(106 TRP N) -63.2  -3.2
 &rst     iat =  1668,  1670,  1673,  1675,
   r1 = -64.2, r2 = -63.2, r3 =  -3.2, r4 =  -2.2,
 &end
# 106 TRP PHI:  (105 GLY C)-(106 TRP N)-(106 TRP CA)-(106 TRP C) -96.2 -36.2
 &rst     iat =  1673,  1675,  1677,  1697,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end
# 106 TRP PSI:  (106 TRP N)-(106 TRP CA)-(106 TRP C)-(107 LYS N) -70.4 -10.4
 &rst     iat =  1675,  1677,  1697,  1699,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end
# 107 LYS PHI:  (106 TRP C)-(107 LYS N)-(107 LYS CA)-(107 LYS C) -94.8 -34.8
 &rst     iat =  1697,  1699,  1701,  1719,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end
# 107 LYS PSI:  (107 LYS N)-(107 LYS CA)-(107 LYS C)-(108 ASN N) -70.4 -10.4
 &rst     iat =  1699,  1701,  1719,  1721,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end
# 108 ASN PHI:  (107 LYS C)-(108 ASN N)-(108 ASN CA)-(108 ASN C) -98.2 -38.2
 &rst     iat =  1719,  1721,  1723,  1733,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end
# 108 ASN PSI:  (108 ASN N)-(108 ASN CA)-(108 ASN C)-(109 HIE N) -60.0   0.0
 &rst     iat =  1721,  1723,  1733,  1735,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end
# 110 CYS CHI1:  (110 CYX N)-(110 CYX CA)-(110 CYX CB)-(110 CYX SG) -105.0 -15.0
 &rst     iat =  1752,  1754,  1756,  1759,
   r1 = -106.0, r2 = -105.0, r3 = -15.0, r4 = -14.0,
 &end
# 114 LEU PHI:  (113 SER C)-(114 LEU N)-(114 LEU CA)-(114 LEU C) -110.1 -50.1
 &rst     iat =  1795,  1797,  1799,  1814,
   r1 = -111.1, r2 = -110.1, r3 = -50.1, r4 = -49.1,
 &end
# 114 LEU PSI:  (114 LEU N)-(114 LEU CA)-(114 LEU C)-(115 PRO N) 112.6 172.6
 &rst     iat =  1797,  1799,  1814,  1816,
   r1 = 111.6, r2 = 112.6, r3 = 172.6, r4 = 173.6,
 &end
# 115 PRO PSI:  (115 PRO N)-(115 PRO CA)-(115 PRO C)-(116 ASP N) 120.5 180.5
 &rst     iat =  1816,  1826,  1828,  1830,
   r1 = 119.5, r2 = 120.5, r3 = 180.5, r4 = 181.5,
 &end
# 116 ASP PHI:  (115 PRO C)-(116 ASP N)-(116 ASP CA)-(116 ASP C) -137.4 -77.4
 &rst     iat =  1828,  1830,  1832,  1840,
   r1 = -138.4, r2 = -137.4, r3 = -77.4, r4 = -76.4,
 &end
# 116 ASP PSI:  (116 ASP N)-(116 ASP CA)-(116 ASP C)-(117 ILE N)  98.1 158.1
 &rst     iat =  1830,  1832,  1840,  1842,
   r1 =  97.1, r2 =  98.1, r3 = 158.1, r4 = 159.1,
 &end
# 118 SER PHI:  (117 ILE C)-(118 SER N)-(118 SER CA)-(118 SER C) -88.4 -28.4
 &rst     iat =  1859,  1861,  1863,  1870,
   r1 = -89.4, r2 = -88.4, r3 = -28.4, r4 = -27.4,
 &end
# 118 SER PSI:  (118 SER N)-(118 SER CA)-(118 SER C)-(119 SER N) -59.3   0.7
 &rst     iat =  1861,  1863,  1870,  1872,
   r1 = -60.3, r2 = -59.3, r3 =   0.7, r4 =   1.7,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1  -9.767  -7.396  10.033
    2    H2   GLY   1           2H       GLY   1  -8.839  -8.615  10.625
    3    H3   GLY   1           3H       GLY   1  -8.351  -7.054  10.807
    4    HA2  GLY   1           1HA      GLY   1  -8.088  -6.788   8.444
    5    HA3  GLY   1           2HA      GLY   1  -7.077  -8.097   9.069
    6    H    LYS   2           H        LYS   2  -8.201  -7.596   6.424
    7    HA   LYS   2           HA       LYS   2  -9.317 -10.248   5.807
    8    HB2  LYS   2           1HB      LYS   2 -11.229  -9.367   4.592
    9    HB3  LYS   2           2HB      LYS   2 -11.306  -8.843   6.269
   10    HG2  LYS   2           1HG      LYS   2 -10.520  -6.618   5.697
   11    HG3  LYS   2           2HG      LYS   2 -10.223  -7.071   4.022
   12    HD2  LYS   2           1HD      LYS   2 -13.025  -7.348   5.132
   13    HD3  LYS   2           2HD      LYS   2 -12.382  -5.757   4.763
   14    HE2  LYS   2           1HE      LYS   2 -13.578  -6.405   2.851
   15    HE3  LYS   2           2HE      LYS   2 -11.867  -6.462   2.429
   16    HZ1  LYS   2           3HZ      LYS   2 -13.252  -8.372   1.648
   17    HZ2  LYS   2           1HZ      LYS   2 -11.927  -8.824   2.459
   18    HZ3  LYS   2           2HZ      LYS   2 -13.410  -8.880   3.190
   19    H    THR   3           H        THR   3  -9.496 -10.651   3.504
   20    HA   THR   3           HA       THR   3  -7.383  -9.354   1.856
   21    HB   THR   3           HB       THR   3  -8.830 -11.964   1.300
   22    HG1  THR   3           1HG      THR   3  -7.042 -12.938   2.267
   23   HG21  THR   3          3HG2      THR   3  -6.751 -12.440  -0.017
   24   HG22  THR   3          1HG2      THR   3  -7.628 -11.048  -0.652
   25   HG23  THR   3          2HG2      THR   3  -6.170 -10.799   0.336
   26    H    PHE   4           H        PHE   4  -7.823  -8.627  -0.188
   27    HA   PHE   4           HA       PHE   4 -10.680  -8.132  -0.935
   28    HB2  PHE   4           1HB      PHE   4  -8.164  -6.491  -1.404
   29    HB3  PHE   4           2HB      PHE   4  -9.672  -6.151  -2.201
   30    HD1  PHE   4           1HD      PHE   4  -8.172  -6.456   1.251
   31    HD2  PHE   4           2HD      PHE   4 -11.250  -4.677  -1.204
   32    HE1  PHE   4           1HE      PHE   4  -8.965  -5.128   3.186
   33    HE2  PHE   4           2HE      PHE   4 -12.034  -3.372   0.739
   34    HZ   PHE   4           HZ       PHE   4 -10.907  -3.600   2.944
   35    H    THR   5           H        THR   5 -11.154  -8.156  -3.145
   36    HA   THR   5           HA       THR   5  -9.438  -9.873  -4.902
   37    HB   THR   5           HB       THR   5 -11.752 -10.663  -4.557
   38    HG1  THR   5           1HG      THR   5 -11.984 -11.042  -6.758
   39   HG21  THR   5          3HG2      THR   5 -13.625  -9.569  -5.626
   40   HG22  THR   5          1HG2      THR   5 -12.923  -8.416  -4.483
   41   HG23  THR   5          2HG2      THR   5 -12.602  -8.255  -6.229
   42    H    ARG   6           H        ARG   6  -9.295  -9.095  -7.228
   43    HA   ARG   6           HA       ARG   6  -8.097  -6.531  -7.214
   44    HB2  ARG   6           1HB      ARG   6  -7.605  -8.355  -8.828
   45    HB3  ARG   6           2HB      ARG   6  -9.121  -8.009  -9.669
   46    HG2  ARG   6           1HG      ARG   6  -8.352  -5.710 -10.159
   47    HG3  ARG   6           2HG      ARG   6  -6.874  -5.973  -9.221
   48    HD2  ARG   6           1HD      ARG   6  -7.668  -7.503 -11.730
   49    HD3  ARG   6           2HD      ARG   6  -6.546  -6.138 -11.679
   50    HE   ARG   6           HE       ARG   6  -5.275  -7.651  -9.936
   51   HH11  ARG   6          1HH1      ARG   6  -6.902  -9.007 -12.787
   52   HH12  ARG   6          2HH1      ARG   6  -5.767 -10.319 -12.894
   53   HH21  ARG   6          1HH2      ARG   6  -3.779  -9.182 -10.259
   54   HH22  ARG   6          2HH2      ARG   6  -4.025 -10.448 -11.447
   55    H    CYS   7           H        CYS   7 -11.345  -7.424  -8.506
   56    HA   CYS   7           HA       CYS   7 -12.130  -4.798  -9.294
   57    HB2  CYS   7           1HB      CYS   7 -13.884  -7.061  -8.266
   58    HB3  CYS   7           2HB      CYS   7 -14.418  -5.669  -9.205
   59    H    GLY   8           H        GLY   8 -12.340  -6.352  -6.101
   60    HA2  GLY   8           1HA      GLY   8 -13.836  -4.237  -4.800
   61    HA3  GLY   8           2HA      GLY   8 -12.880  -5.516  -4.007
   62    H    LEU   9           H        LEU   9 -10.322  -5.037  -4.941
   63    HA   LEU   9           HA       LEU   9  -9.393  -2.796  -3.460
   64    HB2  LEU   9           1HB      LEU   9  -8.128  -4.890  -3.938
   65    HB3  LEU   9           2HB      LEU   9  -8.058  -4.466  -5.650
   66    HG   LEU   9           HG       LEU   9  -6.756  -2.440  -5.105
   67   HD11  LEU   9          1HD1      LEU   9  -7.526  -1.896  -2.876
   68   HD12  LEU   9          2HD1      LEU   9  -6.984  -3.465  -2.254
   69   HD13  LEU   9          3HD1      LEU   9  -5.796  -2.235  -2.773
   70   HD21  LEU   9          3HD2      LEU   9  -4.672  -3.546  -4.582
   71   HD22  LEU   9          1HD2      LEU   9  -5.529  -4.918  -3.844
   72   HD23  LEU   9          2HD2      LEU   9  -5.635  -4.628  -5.598
   73    H    VAL  10           H        VAL  10  -9.690  -3.179  -7.039
   74    HA   VAL  10           HA       VAL  10  -8.859  -0.602  -7.815
   75    HB   VAL  10           HB       VAL  10 -10.997  -2.428  -8.973
   76   HG11  VAL  10          1HG1      VAL  10 -11.728  -0.313  -9.777
   77   HG12  VAL  10          2HG1      VAL  10 -10.079   0.266 -10.022
   78   HG13  VAL  10          3HG1      VAL  10 -10.749  -0.980 -11.085
   79   HG21  VAL  10          3HG2      VAL  10  -9.345  -2.847 -10.720
   80   HG22  VAL  10          1HG2      VAL  10  -8.229  -1.672 -10.000
   81   HG23  VAL  10          2HG2      VAL  10  -8.614  -3.171  -9.147
   82    H    HIS  11           H        HIS  11 -12.115  -1.618  -6.725
   83    HA   HIS  11           HA       HIS  11 -13.328   1.002  -6.916
   84    HB2  HIS  11           1HB      HIS  11 -14.080  -1.518  -5.393
   85    HB3  HIS  11           2HB      HIS  11 -15.055  -0.062  -5.397
   86    HD2  HIS  11           2HD      HIS  11 -13.694  -0.468  -8.857
   87    HE1  HIS  11           1HE      HIS  11 -17.491  -2.391  -8.910
   88    HE2  HIS  11           2HE      HIS  11 -15.614  -1.490 -10.359
   89    H    GLU  12           H        GLU  12 -11.892  -0.743  -4.134
   90    HA   GLU  12           HA       GLU  12 -12.536   1.173  -2.141
   91    HB2  GLU  12           1HB      GLU  12 -11.522  -1.311  -2.093
   92    HB3  GLU  12           2HB      GLU  12  -9.997  -0.459  -1.999
   93    HG2  GLU  12           1HG      GLU  12 -10.818  -1.084   0.199
   94    HG3  GLU  12           2HG      GLU  12 -10.807   0.683   0.047
   95    H    LEU  13           H        LEU  13  -9.630   0.891  -4.218
   96    HA   LEU  13           HA       LEU  13  -8.311   3.237  -3.148
   97    HB2  LEU  13           1HB      LEU  13  -8.026   1.773  -5.784
   98    HB3  LEU  13           2HB      LEU  13  -6.862   2.933  -5.154
   99    HG   LEU  13           HG       LEU  13  -7.558   0.315  -3.816
  100   HD11  LEU  13          1HD1      LEU  13  -6.435  -0.030  -5.950
  101   HD12  LEU  13          2HD1      LEU  13  -5.174   1.149  -5.506
  102   HD13  LEU  13          3HD1      LEU  13  -5.311  -0.390  -4.622
  103   HD21  LEU  13          3HD2      LEU  13  -5.588   0.692  -2.438
  104   HD22  LEU  13          1HD2      LEU  13  -5.341   2.291  -3.198
  105   HD23  LEU  13          2HD2      LEU  13  -6.773   1.977  -2.190
  106    H    ARG  14           H        ARG  14 -10.399   2.736  -6.011
  107    HA   ARG  14           HA       ARG  14 -10.332   5.411  -7.014
  108    HB2  ARG  14           1HB      ARG  14 -12.474   3.273  -7.064
  109    HB3  ARG  14           2HB      ARG  14 -12.771   4.873  -7.740
  110    HG2  ARG  14           1HG      ARG  14 -11.046   4.656  -9.377
  111    HG3  ARG  14           2HG      ARG  14 -10.422   3.174  -8.631
  112    HD2  ARG  14           1HD      ARG  14 -12.477   1.980  -9.118
  113    HD3  ARG  14           2HD      ARG  14 -13.221   3.452  -9.789
  114    HE   ARG  14           HE       ARG  14 -10.843   2.960 -11.220
  115   HH11  ARG  14          1HH1      ARG  14 -14.036   1.468 -10.835
  116   HH12  ARG  14          2HH1      ARG  14 -13.891   0.567 -12.330
  117   HH21  ARG  14          1HH2      ARG  14 -10.803   1.792 -13.211
  118   HH22  ARG  14          2HH2      ARG  14 -12.156   0.767 -13.611
  119    H    LYS  15           H        LYS  15 -12.376   4.038  -4.395
  120    HA   LYS  15           HA       LYS  15 -13.728   6.542  -3.787
  121    HB2  LYS  15           1HB      LYS  15 -13.362   3.925  -2.276
  122    HB3  LYS  15           2HB      LYS  15 -14.314   5.279  -1.659
  123    HG2  LYS  15           1HG      LYS  15 -15.836   5.181  -3.558
  124    HG3  LYS  15           2HG      LYS  15 -14.873   3.914  -4.331
  125    HD2  LYS  15           1HD      LYS  15 -15.315   2.397  -2.414
  126    HD3  LYS  15           2HD      LYS  15 -16.297   3.665  -1.646
  127    HE2  LYS  15           1HE      LYS  15 -17.808   3.674  -3.635
  128    HE3  LYS  15           2HE      LYS  15 -16.839   2.391  -4.371
  129    HZ1  LYS  15           3HZ      LYS  15 -18.786   1.493  -3.243
  130    HZ2  LYS  15           1HZ      LYS  15 -17.438   0.959  -2.488
  131    HZ3  LYS  15           2HZ      LYS  15 -18.338   2.151  -1.817
  132    H    HIS  16           H        HIS  16 -10.701   5.100  -2.673
  133    HA   HIS  16           HA       HIS  16 -10.311   7.124  -0.594
  134    HB2  HIS  16           1HB      HIS  16  -8.646   4.751  -1.520
  135    HB3  HIS  16           2HB      HIS  16  -8.222   5.814  -0.179
  136    HD2  HIS  16           2HD      HIS  16  -8.385   3.177   0.919
  137    HE1  HIS  16           1HE      HIS  16 -12.500   3.594   1.846
  138    HE2  HIS  16           2HE      HIS  16 -10.419   2.274   2.364
  139    H    GLY  17           H        GLY  17  -9.936   7.469  -3.821
  140    HA2  GLY  17           1HA      GLY  17  -9.229   9.487  -4.780
  141    HA3  GLY  17           2HA      GLY  17  -8.181   9.814  -3.382
  142    H    PHE  18           H        PHE  18  -8.090   6.791  -5.268
  143    HA   PHE  18           HA       PHE  18  -5.356   7.451  -6.250
  144    HB2  PHE  18           1HB      PHE  18  -6.934   4.891  -6.072
  145    HB3  PHE  18           2HB      PHE  18  -5.381   5.017  -6.874
  146    HD1  PHE  18           2HD      PHE  18  -6.908   5.857  -3.488
  147    HD2  PHE  18           1HD      PHE  18  -3.501   4.386  -5.668
  148    HE1  PHE  18           2HE      PHE  18  -5.706   5.565  -1.389
  149    HE2  PHE  18           1HE      PHE  18  -2.306   4.002  -3.529
  150    HZ   PHE  18           HZ       PHE  18  -3.397   4.588  -1.378
  151    H    GLU  19           H        GLU  19  -4.929   7.689  -8.415
  152    HA   GLU  19           HA       GLU  19  -7.114   8.467 -10.126
  153    HB2  GLU  19           1HB      GLU  19  -4.151   8.084 -10.691
  154    HB3  GLU  19           2HB      GLU  19  -5.291   8.811 -11.817
  155    HG2  GLU  19           1HG      GLU  19  -4.568   9.909  -9.065
  156    HG3  GLU  19           2HG      GLU  19  -3.950  10.487 -10.606
  157    H    GLU  20           H        GLU  20  -8.171   7.380 -11.710
  158    HA   GLU  20           HA       GLU  20  -8.028   4.583 -11.965
  159    HB2  GLU  20           1HB      GLU  20  -9.578   4.798 -13.798
  160    HB3  GLU  20           2HB      GLU  20 -10.014   5.884 -12.482
  161    HG2  GLU  20           1HG      GLU  20  -8.982   7.793 -13.744
  162    HG3  GLU  20           2HG      GLU  20  -8.609   6.690 -15.071
  163    H    ASN  21           H        ASN  21  -6.099   6.994 -13.666
  164    HA   ASN  21           HA       ASN  21  -5.151   5.208 -15.756
  165    HB2  ASN  21           1HB      ASN  21  -5.277   7.436 -16.384
  166    HB3  ASN  21           2HB      ASN  21  -4.773   8.042 -14.814
  167   HD21  ASN  21          2HD2      ASN  21  -2.658   8.513 -14.414
  168   HD22  ASN  21          1HD2      ASN  21  -1.379   8.205 -15.561
  169    H    LEU  22           H        LEU  22  -4.286   5.810 -12.417
  170    HA   LEU  22           HA       LEU  22  -1.640   4.435 -12.716
  171    HB2  LEU  22           1HB      LEU  22  -2.861   5.895 -10.339
  172    HB3  LEU  22           2HB      LEU  22  -1.249   5.197 -10.416
  173    HG   LEU  22           HG       LEU  22  -2.269   7.575 -12.001
  174   HD11  LEU  22          1HD1      LEU  22  -1.816   8.010  -9.614
  175   HD12  LEU  22          2HD1      LEU  22  -0.182   7.335  -9.797
  176   HD13  LEU  22          3HD1      LEU  22  -0.632   8.832 -10.646
  177   HD21  LEU  22          3HD2      LEU  22   0.065   7.855 -12.805
  178   HD22  LEU  22          1HD2      LEU  22   0.502   6.298 -12.076
  179   HD23  LEU  22          2HD2      LEU  22  -0.660   6.366 -13.418
  180    H    MET  23           H        MET  23  -4.885   3.831 -11.781
  181    HA   MET  23           HA       MET  23  -4.784   2.126  -9.675
  182    HB2  MET  23           1HB      MET  23  -6.741   3.007 -11.087
  183    HB3  MET  23           2HB      MET  23  -6.534   1.602 -12.101
  184    HG2  MET  23           1HG      MET  23  -8.309   1.267 -10.425
  185    HG3  MET  23           2HG      MET  23  -6.994   0.123 -10.173
  186    HE1  MET  23           3HE      MET  23  -7.996   3.826  -7.643
  187    HE2  MET  23           1HE      MET  23  -6.734   4.019  -8.884
  188    HE3  MET  23           2HE      MET  23  -8.378   3.547  -9.347
  189    H    ARG  24           H        ARG  24  -4.190   1.042 -13.059
  190    HA   ARG  24           HA       ARG  24  -3.749  -1.686 -12.591
  191    HB2  ARG  24           1HB      ARG  24  -2.211   0.100 -14.538
  192    HB3  ARG  24           2HB      ARG  24  -2.344  -1.660 -14.598
  193    HG2  ARG  24           1HG      ARG  24  -4.832  -1.409 -14.905
  194    HG3  ARG  24           2HG      ARG  24  -4.591   0.348 -14.986
  195    HD2  ARG  24           1HD      ARG  24  -4.722  -0.411 -17.230
  196    HD3  ARG  24           2HD      ARG  24  -3.022  -0.013 -16.921
  197    HE   ARG  24           HE       ARG  24  -3.631  -2.808 -16.396
  198   HH11  ARG  24          1HH1      ARG  24  -2.956  -0.635 -19.110
  199   HH12  ARG  24          2HH1      ARG  24  -2.429  -1.938 -20.131
  200   HH21  ARG  24          1HH2      ARG  24  -2.921  -4.423 -17.746
  201   HH22  ARG  24          2HH2      ARG  24  -2.415  -4.058 -19.366
  202    H    ASN  25           H        ASN  25  -1.305   0.964 -12.402
  203    HA   ASN  25           HA       ASN  25   0.914  -0.689 -11.650
  204    HB2  ASN  25           1HB      ASN  25   0.376   2.270 -11.100
  205    HB3  ASN  25           2HB      ASN  25   1.878   1.435 -10.749
  206   HD21  ASN  25          2HD2      ASN  25   2.987   2.959 -12.102
  207   HD22  ASN  25          1HD2      ASN  25   2.937   2.748 -13.847
  208    H    TRP  26           H        TRP  26  -1.449   1.200  -9.681
  209    HA   TRP  26           HA       TRP  26  -0.315   0.568  -7.155
  210    HB2  TRP  26           1HB      TRP  26  -3.049   1.511  -8.063
  211    HB3  TRP  26           2HB      TRP  26  -2.709   1.164  -6.378
  212    HD1  TRP  26           HD       TRP  26  -2.615   3.980  -8.692
  213    HE1  TRP  26           1HE      TRP  26  -1.412   5.976  -7.637
  214    HE3  TRP  26           3HE      TRP  26  -0.189   1.549  -4.890
  215    HZ2  TRP  26           2HZ      TRP  26   0.168   6.503  -5.259
  216    HZ3  TRP  26           3HZ      TRP  26   1.156   2.821  -3.247
  217    HH2  TRP  26           HH       TRP  26   1.321   5.298  -3.403
  218    H    VAL  27           H        VAL  27  -3.111  -1.065  -8.818
  219    HA   VAL  27           HA       VAL  27  -3.323  -2.976  -6.677
  220    HB   VAL  27           HB       VAL  27  -4.790  -4.305  -7.925
  221   HG11  VAL  27          1HG1      VAL  27  -5.554  -2.052  -7.095
  222   HG12  VAL  27          2HG1      VAL  27  -5.410  -1.454  -8.758
  223   HG13  VAL  27          3HG1      VAL  27  -6.532  -2.768  -8.384
  224   HG21  VAL  27          3HG2      VAL  27  -5.339  -3.930 -10.318
  225   HG22  VAL  27          1HG2      VAL  27  -3.950  -2.830 -10.443
  226   HG23  VAL  27          2HG2      VAL  27  -3.704  -4.548 -10.061
  227    H    CYS  28           H        CYS  28  -1.383  -3.076  -9.691
  228    HA   CYS  28           HA       CYS  28  -0.558  -5.814  -9.339
  229    HB2  CYS  28           1HB      CYS  28  -0.597  -4.376 -11.418
  230    HB3  CYS  28           2HB      CYS  28   0.889  -3.622 -10.867
  231    H    LEU  29           H        LEU  29   0.824  -2.749  -8.228
  232    HA   LEU  29           HA       LEU  29   3.191  -3.755  -6.947
  233    HB2  LEU  29           1HB      LEU  29   2.787  -1.438  -7.555
  234    HB3  LEU  29           2HB      LEU  29   1.405  -1.316  -6.494
  235    HG   LEU  29           HG       LEU  29   4.264  -1.699  -5.520
  236   HD11  LEU  29          1HD1      LEU  29   3.936   0.443  -6.753
  237   HD12  LEU  29          2HD1      LEU  29   2.531   0.814  -5.734
  238   HD13  LEU  29          3HD1      LEU  29   4.154   0.730  -5.027
  239   HD21  LEU  29          3HD2      LEU  29   3.293  -0.763  -3.371
  240   HD22  LEU  29          1HD2      LEU  29   1.675  -0.967  -4.064
  241   HD23  LEU  29          2HD2      LEU  29   2.720  -2.374  -3.758
  242    H    VAL  30           H        VAL  30  -0.052  -2.967  -5.611
  243    HA   VAL  30           HA       VAL  30   0.404  -3.964  -3.009
  244    HB   VAL  30           HB       VAL  30  -2.115  -3.548  -4.635
  245   HG11  VAL  30          1HG1      VAL  30  -2.772  -5.290  -3.080
  246   HG12  VAL  30          2HG1      VAL  30  -1.963  -4.445  -1.745
  247   HG13  VAL  30          3HG1      VAL  30  -3.411  -3.750  -2.512
  248   HG21  VAL  30          3HG2      VAL  30  -2.404  -1.622  -3.139
  249   HG22  VAL  30          1HG2      VAL  30  -0.981  -2.106  -2.189
  250   HG23  VAL  30          2HG2      VAL  30  -0.789  -1.553  -3.859
  251    H    GLU  31           H        GLU  31  -0.868  -5.733  -5.859
  252    HA   GLU  31           HA       GLU  31  -1.364  -8.202  -4.547
  253    HB2  GLU  31           1HB      GLU  31  -0.756  -7.409  -7.415
  254    HB3  GLU  31           2HB      GLU  31  -0.954  -9.110  -6.979
  255    HG2  GLU  31           1HG      GLU  31  -3.162  -8.793  -6.172
  256    HG3  GLU  31           2HG      GLU  31  -3.052  -7.035  -6.268
  257    H    HIS  32           H        HIS  32   1.779  -6.810  -5.376
  258    HA   HIS  32           HA       HIS  32   3.111  -9.437  -4.929
  259    HB2  HIS  32           1HB      HIS  32   3.818  -8.073  -6.819
  260    HB3  HIS  32           2HB      HIS  32   4.186  -6.716  -5.751
  261    HD2  HIS  32           2HD      HIS  32   6.207  -7.188  -3.901
  262    HE1  HIS  32           1HE      HIS  32   8.073 -10.280  -6.158
  263    HE2  HIS  32           2HE      HIS  32   8.366  -8.676  -4.197
  264    H    GLU  33           H        GLU  33   2.672  -6.232  -3.409
  265    HA   GLU  33           HA       GLU  33   4.642  -6.705  -1.331
  266    HB2  GLU  33           1HB      GLU  33   2.437  -4.633  -1.621
  267    HB3  GLU  33           2HB      GLU  33   3.569  -4.660  -0.278
  268    HG2  GLU  33           1HG      GLU  33   4.301  -4.322  -3.213
  269    HG3  GLU  33           2HG      GLU  33   4.244  -3.052  -1.997
  270    H    SER  34           H        SER  34   1.013  -6.551  -1.132
  271    HA   SER  34           HA       SER  34   1.167  -8.150   1.415
  272    HB2  SER  34           1HB      SER  34  -0.932  -7.135   1.976
  273    HB3  SER  34           2HB      SER  34   0.244  -5.870   1.599
  274    HG   SER  34           HG       SER  34  -0.986  -5.254   0.015
  275    H    SER  35           H        SER  35   0.321  -8.468  -1.863
  276    HA   SER  35           HA       SER  35  -0.982  -9.877  -3.085
  277    HB2  SER  35           1HB      SER  35  -1.561 -11.583  -0.679
  278    HB3  SER  35           2HB      SER  35  -1.549 -12.032  -2.383
  279    HG   SER  35           HG       SER  35   0.745 -11.769  -2.375
  280    H    ARG  36           H        ARG  36  -2.139  -7.590  -1.541
  281    HA   ARG  36           HA       ARG  36  -4.116  -6.550  -1.332
  282    HB2  ARG  36           1HB      ARG  36  -5.703  -8.915  -2.342
  283    HB3  ARG  36           2HB      ARG  36  -6.107  -7.203  -2.370
  284    HG2  ARG  36           1HG      ARG  36  -4.154  -6.912  -4.014
  285    HG3  ARG  36           2HG      ARG  36  -4.099  -8.663  -4.118
  286    HD2  ARG  36           1HD      ARG  36  -6.608  -7.036  -4.696
  287    HD3  ARG  36           2HD      ARG  36  -5.477  -7.569  -5.930
  288    HE   ARG  36           HE       ARG  36  -7.051  -9.366  -4.119
  289   HH11  ARG  36          1HH1      ARG  36  -5.582  -8.953  -7.362
  290   HH12  ARG  36          2HH1      ARG  36  -6.025 -10.575  -7.806
  291   HH21  ARG  36          1HH2      ARG  36  -7.512 -11.408  -4.791
  292   HH22  ARG  36          2HH2      ARG  36  -7.143 -11.915  -6.409
  293    H    ASP  37           H        ASP  37  -2.979  -8.166   0.773
  294    HA   ASP  37           HA       ASP  37  -5.414  -8.821   2.426
  295    HB2  ASP  37           1HB      ASP  37  -4.154 -10.841   1.878
  296    HB3  ASP  37           2HB      ASP  37  -2.688 -10.112   2.537
  297    H    THR  38           H        THR  38  -5.788  -7.381   3.919
  298    HA   THR  38           HA       THR  38  -3.859  -5.412   4.786
  299    HB   THR  38           HB       THR  38  -5.537  -4.841   6.582
  300    HG1  THR  38           1HG      THR  38  -7.052  -6.817   5.230
  301   HG21  THR  38          3HG2      THR  38  -7.269  -3.983   5.097
  302   HG22  THR  38          1HG2      THR  38  -5.668  -3.748   4.376
  303   HG23  THR  38          2HG2      THR  38  -6.728  -5.056   3.792
  304    H    SER  39           H        SER  39  -4.613  -8.624   6.011
  305    HA   SER  39           HA       SER  39  -3.455  -8.151   8.642
  306    HB2  SER  39           1HB      SER  39  -4.194 -10.710   7.179
  307    HB3  SER  39           2HB      SER  39  -3.727 -10.591   8.875
  308    HG   SER  39           HG       SER  39  -6.009 -10.627   8.595
  309    H    LYS  40           H        LYS  40  -1.901  -8.461   5.634
  310    HA   LYS  40           HA       LYS  40   0.109 -10.370   6.402
  311    HB2  LYS  40           1HB      LYS  40  -0.729  -9.895   4.068
  312    HB3  LYS  40           2HB      LYS  40   0.219  -8.414   4.065
  313    HG2  LYS  40           1HG      LYS  40   2.291  -9.543   4.160
  314    HG3  LYS  40           2HG      LYS  40   1.585 -11.002   4.825
  315    HD2  LYS  40           1HD      LYS  40   1.421 -10.154   1.932
  316    HD3  LYS  40           2HD      LYS  40   2.396 -11.435   2.630
  317    HE2  LYS  40           1HE      LYS  40   0.273 -12.574   3.392
  318    HE3  LYS  40           2HE      LYS  40  -0.650 -11.340   2.519
  319    HZ1  LYS  40           3HZ      LYS  40  -0.324 -13.331   1.178
  320    HZ2  LYS  40           1HZ      LYS  40   0.423 -12.068   0.461
  321    HZ3  LYS  40           2HZ      LYS  40   1.300 -13.193   1.265
  322    H    THR  41           H        THR  41   2.162 -10.168   7.083
  323    HA   THR  41           HA       THR  41   3.462  -7.522   7.367
  324    HB   THR  41           HB       THR  41   4.415  -8.272   9.580
  325    HG1  THR  41           1HG      THR  41   3.712 -10.493   9.318
  326   HG21  THR  41          3HG2      THR  41   2.603  -7.607  10.991
  327   HG22  THR  41          1HG2      THR  41   2.689  -6.567   9.580
  328   HG23  THR  41          2HG2      THR  41   1.423  -7.820   9.663
  329    H    ASN  42           H        ASN  42   5.679  -7.535   7.530
  330    HA   ASN  42           HA       ASN  42   7.157 -10.052   7.062
  331    HB2  ASN  42           1HB      ASN  42   6.982  -7.716   5.113
  332    HB3  ASN  42           2HB      ASN  42   8.375  -8.781   5.148
  333   HD21  ASN  42          2HD2      ASN  42   5.100  -8.459   4.037
  334   HD22  ASN  42          1HD2      ASN  42   5.032 -10.037   3.257
  335    H    THR  43           H        THR  43   9.086 -10.060   8.108
  336    HA   THR  43           HA       THR  43   9.995  -7.644   9.559
  337    HB   THR  43           HB       THR  43  11.243 -10.414   9.592
  338    HG1  THR  43           1HG      THR  43   9.869 -10.901  11.226
  339   HG21  THR  43          3HG2      THR  43  11.848  -9.718  11.927
  340   HG22  THR  43          1HG2      THR  43  12.592  -8.682  10.709
  341   HG23  THR  43          2HG2      THR  43  11.168  -8.108  11.604
  342    H    ASN  44           H        ASN  44  11.960  -6.658   9.273
  343    HA   ASN  44           HA       ASN  44  13.387  -7.144   6.697
  344    HB2  ASN  44           1HB      ASN  44  13.317  -4.707   8.526
  345    HB3  ASN  44           2HB      ASN  44  14.199  -4.824   7.007
  346   HD21  ASN  44          2HD2      ASN  44  10.984  -4.690   8.444
  347   HD22  ASN  44          1HD2      ASN  44  10.154  -4.165   6.963
  348    H    ARG  45           H        ARG  45  15.679  -6.979   6.636
  349    HA   ARG  45           HA       ARG  45  17.132  -8.357   8.687
  350    HB2  ARG  45           1HB      ARG  45  18.226  -6.635   6.422
  351    HB3  ARG  45           2HB      ARG  45  19.131  -7.815   7.380
  352    HG2  ARG  45           1HG      ARG  45  17.543  -9.611   6.553
  353    HG3  ARG  45           2HG      ARG  45  16.797  -8.389   5.511
  354    HD2  ARG  45           1HD      ARG  45  18.333  -9.624   4.163
  355    HD3  ARG  45           2HD      ARG  45  19.017  -8.009   4.416
  356    HE   ARG  45           HE       ARG  45  19.962  -9.870   6.412
  357   HH11  ARG  45          1HH1      ARG  45  20.498  -9.066   3.009
  358   HH12  ARG  45          2HH1      ARG  45  22.122  -9.687   3.024
  359   HH21  ARG  45          1HH2      ARG  45  22.066 -10.643   6.367
  360   HH22  ARG  45          2HH2      ARG  45  22.992 -10.570   4.899
  361    H    ASN  46           H        ASN  46  16.448  -4.990   8.256
  362    HA   ASN  46           HA       ASN  46  18.424  -4.002  10.152
  363    HB2  ASN  46           1HB      ASN  46  17.437  -2.820   8.083
  364    HB3  ASN  46           2HB      ASN  46  15.995  -2.538   9.055
  365   HD21  ASN  46          2HD2      ASN  46  16.504  -0.212   8.611
  366   HD22  ASN  46          1HD2      ASN  46  17.760   0.574   9.547
  367    H    GLY  47           H        GLY  47  15.671  -5.777  10.751
  368    HA2  GLY  47           1HA      GLY  47  14.852  -6.403  12.813
  369    HA3  GLY  47           2HA      GLY  47  15.614  -4.991  13.577
  370    H    SER  48           H        SER  48  13.850  -3.768  11.034
  371    HA   SER  48           HA       SER  48  11.479  -3.085  12.677
  372    HB2  SER  48           1HB      SER  48  11.030  -1.559  10.755
  373    HB3  SER  48           2HB      SER  48  12.566  -1.264  11.571
  374    HG   SER  48           HG       SER  48  13.022  -1.251   9.399
  375    H    LYS  49           H        LYS  49   9.327  -3.171  11.561
  376    HA   LYS  49           HA       LYS  49   9.049  -5.526   9.741
  377    HB2  LYS  49           1HB      LYS  49   8.480  -5.853  12.318
  378    HB3  LYS  49           2HB      LYS  49   7.000  -5.019  11.872
  379    HG2  LYS  49           1HG      LYS  49   6.631  -6.807  10.104
  380    HG3  LYS  49           2HG      LYS  49   8.043  -7.642  10.784
  381    HD2  LYS  49           1HD      LYS  49   6.804  -7.481  13.070
  382    HD3  LYS  49           2HD      LYS  49   5.399  -6.981  12.130
  383    HE2  LYS  49           1HE      LYS  49   5.083  -9.284  12.444
  384    HE3  LYS  49           2HE      LYS  49   5.675  -9.156  10.786
  385    HZ1  LYS  49           3HZ      LYS  49   6.796 -10.921  12.011
  386    HZ2  LYS  49           1HZ      LYS  49   7.889  -9.778  11.601
  387    HZ3  LYS  49           2HZ      LYS  49   7.335  -9.873  13.141
  388    H    ASP  50           H        ASP  50   7.343  -5.536   8.399
  389    HA   ASP  50           HA       ASP  50   6.211  -2.901   7.611
  390    HB2  ASP  50           1HB      ASP  50   6.500  -5.527   6.097
  391    HB3  ASP  50           2HB      ASP  50   5.879  -4.022   5.450
  392    H    TYR  51           H        TYR  51   4.008  -2.639   7.391
  393    HA   TYR  51           HA       TYR  51   2.153  -4.872   8.143
  394    HB2  TYR  51           1HB      TYR  51   2.263  -2.021   9.204
  395    HB3  TYR  51           2HB      TYR  51   1.011  -3.188   9.583
  396    HD1  TYR  51           2HD      TYR  51   4.593  -2.327  10.053
  397    HD2  TYR  51           1HD      TYR  51   1.318  -4.823  11.315
  398    HE1  TYR  51           2HE      TYR  51   5.875  -2.990  12.062
  399    HE2  TYR  51           1HE      TYR  51   2.594  -5.489  13.340
  400    HH   TYR  51           HH       TYR  51   4.548  -5.234  14.538
  401    H    GLY  52           H        GLY  52   0.022  -4.752   7.433
  402    HA2  GLY  52           1HA      GLY  52  -1.884  -3.924   6.400
  403    HA3  GLY  52           2HA      GLY  52  -1.085  -2.352   6.247
  404    H    LEU  53           H        LEU  53  -2.540  -2.647   4.246
  405    HA   LEU  53           HA       LEU  53  -1.826  -4.551   2.327
  406    HB2  LEU  53           1HB      LEU  53  -3.929  -2.789   2.653
  407    HB3  LEU  53           2HB      LEU  53  -3.037  -1.927   1.407
  408    HG   LEU  53           HG       LEU  53  -2.994  -4.261   0.175
  409   HD11  LEU  53          1HD1      LEU  53  -3.803  -5.623   1.986
  410   HD12  LEU  53          2HD1      LEU  53  -5.264  -4.618   2.157
  411   HD13  LEU  53          3HD1      LEU  53  -5.046  -5.596   0.716
  412   HD21  LEU  53          3HD2      LEU  53  -5.140  -3.888  -0.852
  413   HD22  LEU  53          1HD2      LEU  53  -5.580  -2.731   0.433
  414   HD23  LEU  53          2HD2      LEU  53  -4.246  -2.356  -0.684
  415    H    PHE  54           H        PHE  54  -0.302  -1.489   2.802
  416    HA   PHE  54           HA       PHE  54   1.218  -1.778   0.247
  417    HB2  PHE  54           1HB      PHE  54   0.936   0.591   2.121
  418    HB3  PHE  54           2HB      PHE  54   1.844   0.577   0.622
  419    HD1  PHE  54           2HD      PHE  54  -1.573   0.410   2.065
  420    HD2  PHE  54           1HD      PHE  54   0.758   0.841  -1.529
  421    HE1  PHE  54           2HE      PHE  54  -3.601   1.112   0.853
  422    HE2  PHE  54           1HE      PHE  54  -1.280   1.572  -2.743
  423    HZ   PHE  54           HZ       PHE  54  -3.461   1.708  -1.566
  424    H    GLN  55           H        GLN  55   1.548  -3.079   3.167
  425    HA   GLN  55           HA       GLN  55   3.216  -3.695   4.553
  426    HB2  GLN  55           1HB      GLN  55   4.663  -3.713   1.871
  427    HB3  GLN  55           2HB      GLN  55   5.350  -4.410   3.331
  428    HG2  GLN  55           1HG      GLN  55   2.767  -5.295   1.998
  429    HG3  GLN  55           2HG      GLN  55   4.331  -6.116   1.972
  430   HE21  GLN  55          2HE2      GLN  55   1.399  -5.570   3.893
  431   HE22  GLN  55          1HE2      GLN  55   1.903  -6.569   5.227
  432    H    ILE  56           H        ILE  56   2.868  -1.382   5.310
  433    HA   ILE  56           HA       ILE  56   5.043   0.525   4.791
  434    HB   ILE  56           HB       ILE  56   2.646   0.800   6.650
  435   HG12  ILE  56          1HG1      ILE  56   2.943   1.404   3.665
  436   HG13  ILE  56          2HG1      ILE  56   1.780   0.289   4.407
  437   HG21  ILE  56          1HG2      ILE  56   4.509   2.396   6.965
  438   HG22  ILE  56          2HG2      ILE  56   4.339   2.908   5.267
  439   HG23  ILE  56          3HG2      ILE  56   3.029   3.174   6.448
  440   HD11  ILE  56          3HD1      ILE  56   0.528   2.180   3.789
  441   HD12  ILE  56          1HD1      ILE  56   0.763   2.359   5.546
  442   HD13  ILE  56          2HD1      ILE  56   1.761   3.291   4.396
  443    H    ASN  57           H        ASN  57   6.653   1.081   6.199
  444    HA   ASN  57           HA       ASN  57   7.202  -0.923   8.251
  445    HB2  ASN  57           1HB      ASN  57   8.752  -0.351   6.400
  446    HB3  ASN  57           2HB      ASN  57   8.932   1.265   7.104
  447   HD21  ASN  57          2HD2      ASN  57   9.718  -2.144   7.433
  448   HD22  ASN  57          1HD2      ASN  57  10.957  -1.910   8.674
  449    H    ASP  58           H        ASP  58   7.503  -0.644  10.344
  450    HA   ASP  58           HA       ASP  58   6.314   1.516  11.714
  451    HB2  ASP  58           1HB      ASP  58   6.711   0.382  13.663
  452    HB3  ASP  58           2HB      ASP  58   6.518  -0.887  12.463
  453    H    ARG  59           H        ARG  59   9.504   1.435  10.555
  454    HA   ARG  59           HA       ARG  59  10.500   3.397  12.558
  455    HB2  ARG  59           1HB      ARG  59  11.724   1.263  11.929
  456    HB3  ARG  59           2HB      ARG  59  12.040   1.988  10.351
  457    HG2  ARG  59           1HG      ARG  59  13.315   3.797  11.374
  458    HG3  ARG  59           2HG      ARG  59  12.865   3.263  13.003
  459    HD2  ARG  59           1HD      ARG  59  14.469   1.610  11.009
  460    HD3  ARG  59           2HD      ARG  59  15.183   2.604  12.293
  461    HE   ARG  59           HE       ARG  59  13.417   1.006  13.665
  462   HH11  ARG  59          1HH1      ARG  59  16.152   0.282  11.541
  463   HH12  ARG  59          2HH1      ARG  59  16.418  -1.276  12.281
  464   HH21  ARG  59          1HH2      ARG  59  13.864  -1.010  14.589
  465   HH22  ARG  59          2HH2      ARG  59  15.192  -1.957  13.979
  466    H    TYR  60           H        TYR  60   9.161   3.313   9.379
  467    HA   TYR  60           HA       TYR  60  10.541   5.858   8.587
  468    HB2  TYR  60           1HB      TYR  60   9.289   3.684   6.899
  469    HB3  TYR  60           2HB      TYR  60  10.141   5.081   6.289
  470    HD1  TYR  60           2HD      TYR  60  12.510   4.852   8.460
  471    HD2  TYR  60           1HD      TYR  60  10.632   2.074   5.742
  472    HE1  TYR  60           2HE      TYR  60  14.513   3.401   8.557
  473    HE2  TYR  60           1HE      TYR  60  12.638   0.620   5.842
  474    HH   TYR  60           HH       TYR  60  14.728   0.314   6.731
  475    H    TRP  61           H        TRP  61   7.288   4.464   8.905
  476    HA   TRP  61           HA       TRP  61   6.119   7.056   7.973
  477    HB2  TRP  61           1HB      TRP  61   5.377   4.365   6.838
  478    HB3  TRP  61           2HB      TRP  61   4.725   5.899   6.353
  479    HD1  TRP  61           HD       TRP  61   7.052   3.399   5.267
  480    HE1  TRP  61           1HE      TRP  61   8.612   4.242   3.417
  481    HE3  TRP  61           3HE      TRP  61   6.237   8.435   5.751
  482    HZ2  TRP  61           2HZ      TRP  61   9.356   6.769   2.242
  483    HZ3  TRP  61           3HZ      TRP  61   7.338  10.033   4.211
  484    HH2  TRP  61           HH       TRP  61   8.900   9.217   2.455
  485    H    CYS  62           H        CYS  62   5.192   3.767   9.168
  486    HA   CYS  62           HA       CYS  62   3.075   5.011  10.873
  487    HB2  CYS  62           1HB      CYS  62   2.368   2.624  11.211
  488    HB3  CYS  62           2HB      CYS  62   2.149   3.275   9.607
  489    H    SER  63           H        SER  63   2.848   4.017  13.066
  490    HA   SER  63           HA       SER  63   5.490   3.730  14.456
  491    HB2  SER  63           1HB      SER  63   4.073   5.788  14.933
  492    HB3  SER  63           2HB      SER  63   2.845   4.708  15.598
  493    HG   SER  63           HG       SER  63   4.272   5.480  17.235
  494    H    LYS  64           H        LYS  64   5.850   2.006  15.762
  495    HA   LYS  64           HA       LYS  64   4.048  -0.274  15.712
  496    HB2  LYS  64           1HB      LYS  64   5.846  -1.359  17.053
  497    HB3  LYS  64           2HB      LYS  64   6.398  -0.711  15.527
  498    HG2  LYS  64           1HG      LYS  64   7.522   1.123  16.551
  499    HG3  LYS  64           2HG      LYS  64   6.649   0.930  18.081
  500    HD2  LYS  64           1HD      LYS  64   7.782  -1.139  18.574
  501    HD3  LYS  64           2HD      LYS  64   8.602  -1.126  16.987
  502    HE2  LYS  64           1HE      LYS  64   9.697   1.016  17.577
  503    HE3  LYS  64           2HE      LYS  64   8.879   1.015  19.145
  504    HZ1  LYS  64           3HZ      LYS  64  11.143   0.155  19.326
  505    HZ2  LYS  64           1HZ      LYS  64  10.083  -1.030  19.697
  506    HZ3  LYS  64           2HZ      LYS  64  10.837  -1.032  18.245
  507    H    GLY  65           H        GLY  65   4.213   2.344  17.895
  508    HA2  GLY  65           1HA      GLY  65   3.847   0.884  20.386
  509    HA3  GLY  65           2HA      GLY  65   3.726   2.631  20.147
  510    H    ALA  66           H        ALA  66   1.969   2.219  21.801
  511    HA   ALA  66           HA       ALA  66  -0.524   0.992  20.887
  512    HB1  ALA  66           1HB      ALA  66   0.242   0.886  23.239
  513    HB2  ALA  66           2HB      ALA  66   0.102   2.659  23.363
  514    HB3  ALA  66           3HB      ALA  66  -1.345   1.665  23.095
  515    H    SER  67           H        SER  67   0.827   4.004  20.254
  516    HA   SER  67           HA       SER  67  -1.779   5.203  19.457
  517    HB2  SER  67           1HB      SER  67   0.431   6.575  21.037
  518    HB3  SER  67           2HB      SER  67  -0.930   7.410  20.275
  519    HG   SER  67           HG       SER  67  -1.306   6.952  22.514
  520    HA   PRO  68           HA       PRO  68   0.615   6.183  15.758
  521    HB2  PRO  68           1HB      PRO  68  -0.760   8.319  14.739
  522    HB3  PRO  68           2HB      PRO  68  -1.424   6.655  14.734
  523    HG2  PRO  68           1HG      PRO  68  -1.964   8.863  16.741
  524    HG3  PRO  68           2HG      PRO  68  -3.154   7.831  15.882
  525    HD2  PRO  68           1HD      PRO  68  -2.318   7.257  18.403
  526    HD3  PRO  68           2HD      PRO  68  -2.630   5.955  17.216
  527    H    GLY  69           H        GLY  69   2.125   7.819  14.971
  528    HA2  GLY  69           1HA      GLY  69   2.745  10.316  15.943
  529    HA3  GLY  69           2HA      GLY  69   3.347   9.270  17.223
  530    H    LYS  70           H        LYS  70   3.352   9.298  13.671
  531    HA   LYS  70           HA       LYS  70   6.280   9.319  13.455
  532    HB2  LYS  70           1HB      LYS  70   4.583   6.902  12.972
  533    HB3  LYS  70           2HB      LYS  70   5.698   7.257  11.676
  534    HG2  LYS  70           1HG      LYS  70   6.678   7.167  14.550
  535    HG3  LYS  70           2HG      LYS  70   6.510   5.708  13.591
  536    HD2  LYS  70           1HD      LYS  70   8.019   6.558  11.877
  537    HD3  LYS  70           2HD      LYS  70   8.160   8.112  12.731
  538    HE2  LYS  70           1HE      LYS  70   9.067   6.863  14.726
  539    HE3  LYS  70           2HE      LYS  70   9.068   5.384  13.755
  540    HZ1  LYS  70           3HZ      LYS  70  11.238   6.521  13.759
  541    HZ2  LYS  70           1HZ      LYS  70  10.643   6.448  12.239
  542    HZ3  LYS  70           2HZ      LYS  70  10.584   7.854  13.079
  543    H    ASP  71           H        ASP  71   6.684   9.078  10.841
  544    HA   ASP  71           HA       ASP  71   6.146  11.597   9.922
  545    HB2  ASP  71           1HB      ASP  71   6.800   9.130   8.277
  546    HB3  ASP  71           2HB      ASP  71   7.033  10.795   7.760
  547    H    CYS  72           H        CYS  72   3.997   8.845   9.391
  548    HA   CYS  72           HA       CYS  72   2.175  10.604   7.775
  549    HB2  CYS  72           1HB      CYS  72   2.426   7.595   7.841
  550    HB3  CYS  72           2HB      CYS  72   1.207   8.496   6.945
  551    H    ASN  73           H        ASN  73   2.487  10.059  10.895
  552    HA   ASN  73           HA       ASN  73   1.145  10.099  12.690
  553    HB2  ASN  73           1HB      ASN  73   0.696  12.246  11.483
  554    HB3  ASN  73           2HB      ASN  73  -0.750  11.519  10.782
  555   HD21  ASN  73          2HD2      ASN  73  -2.122  13.100  11.825
  556   HD22  ASN  73          1HD2      ASN  73  -2.407  13.036  13.555
  557    H    VAL  74           H        VAL  74   1.064   7.639  11.812
  558    HA   VAL  74           HA       VAL  74  -1.637   6.616  12.356
  559    HB   VAL  74           HB       VAL  74  -1.533   7.094   9.911
  560   HG11  VAL  74          1HG1      VAL  74   0.887   6.624   9.529
  561   HG12  VAL  74          2HG1      VAL  74   0.569   4.894   9.774
  562   HG13  VAL  74          3HG1      VAL  74  -0.172   5.747   8.411
  563   HG21  VAL  74          3HG2      VAL  74  -2.468   4.996   9.183
  564   HG22  VAL  74          1HG2      VAL  74  -1.743   4.136  10.552
  565   HG23  VAL  74          2HG2      VAL  74  -3.015   5.348  10.828
  566    H    LYS  75           H        LYS  75  -1.686   4.462  12.957
  567    HA   LYS  75           HA       LYS  75   0.847   3.481  14.162
  568    HB2  LYS  75           1HB      LYS  75  -1.218   4.223  15.423
  569    HB3  LYS  75           2HB      LYS  75  -2.045   2.791  14.787
  570    HG2  LYS  75           1HG      LYS  75  -0.349   1.356  15.962
  571    HG3  LYS  75           2HG      LYS  75   0.453   2.837  16.529
  572    HD2  LYS  75           1HD      LYS  75  -0.928   2.159  18.321
  573    HD3  LYS  75           2HD      LYS  75  -1.768   3.517  17.582
  574    HE2  LYS  75           1HE      LYS  75  -3.151   1.706  16.321
  575    HE3  LYS  75           2HE      LYS  75  -2.400   0.553  17.447
  576    HZ1  LYS  75           3HZ      LYS  75  -4.486   1.269  18.347
  577    HZ2  LYS  75           1HZ      LYS  75  -3.321   1.959  19.277
  578    HZ3  LYS  75           2HZ      LYS  75  -4.131   2.848  18.167
  579    H    CYS  76           H        CYS  76   1.707   1.508  13.644
  580    HA   CYS  76           HA       CYS  76   1.217   0.081  11.317
  581    HB2  CYS  76           1HB      CYS  76   2.262  -0.980  13.978
  582    HB3  CYS  76           2HB      CYS  76   2.487  -1.746  12.410
  583    H    SER  77           H        SER  77  -0.317  -0.562  14.497
  584    HA   SER  77           HA       SER  77  -1.614  -3.019  13.617
  585    HB2  SER  77           1HB      SER  77  -0.935  -2.421  15.977
  586    HB3  SER  77           2HB      SER  77  -2.313  -1.305  16.018
  587    HG   SER  77           HG       SER  77  -2.806  -3.410  16.878
  588    H    ASP  78           H        ASP  78  -2.528   0.396  13.455
  589    HA   ASP  78           HA       ASP  78  -5.359  -0.072  12.946
  590    HB2  ASP  78           1HB      ASP  78  -3.535   2.245  13.127
  591    HB3  ASP  78           2HB      ASP  78  -4.663   2.383  11.800
  592    H    LEU  79           H        LEU  79  -2.444  -0.280  11.047
  593    HA   LEU  79           HA       LEU  79  -3.750  -0.116   8.448
  594    HB2  LEU  79           1HB      LEU  79  -1.109  -1.489   9.030
  595    HB3  LEU  79           2HB      LEU  79  -1.677  -0.763   7.532
  596    HG   LEU  79           HG       LEU  79  -0.731   0.689  10.021
  597   HD11  LEU  79          1HD1      LEU  79   1.026  -0.219   8.579
  598   HD12  LEU  79          2HD1      LEU  79   0.286   0.542   7.156
  599   HD13  LEU  79          3HD1      LEU  79   0.982   1.546   8.443
  600   HD21  LEU  79          3HD2      LEU  79  -1.050   2.787   8.678
  601   HD22  LEU  79          1HD2      LEU  79  -1.956   1.833   7.492
  602   HD23  LEU  79          2HD2      LEU  79  -2.575   2.020   9.146
  603    H    LEU  80           H        LEU  80  -3.700  -2.530  10.859
  604    HA   LEU  80           HA       LEU  80  -4.110  -4.785   8.991
  605    HB2  LEU  80           1HB      LEU  80  -4.045  -4.815  12.018
  606    HB3  LEU  80           2HB      LEU  80  -3.937  -6.197  10.937
  607    HG   LEU  80           HG       LEU  80  -1.842  -4.016  11.238
  608   HD11  LEU  80          1HD1      LEU  80  -2.040  -5.511  13.201
  609   HD12  LEU  80          2HD1      LEU  80  -1.849  -6.927  12.144
  610   HD13  LEU  80          3HD1      LEU  80  -0.514  -5.776  12.347
  611   HD21  LEU  80          3HD2      LEU  80  -0.377  -5.521   9.889
  612   HD22  LEU  80          1HD2      LEU  80  -1.781  -6.554   9.558
  613   HD23  LEU  80          2HD2      LEU  80  -1.735  -4.872   8.970
  614    H    THR  81           H        THR  81  -6.093  -2.427  10.078
  615    HA   THR  81           HA       THR  81  -8.396  -4.031  10.939
  616    HB   THR  81           HB       THR  81  -9.613  -1.941  11.098
  617    HG1  THR  81           1HG      THR  81  -7.223  -0.696  10.195
  618   HG21  THR  81          3HG2      THR  81  -8.295  -0.857  12.854
  619   HG22  THR  81          1HG2      THR  81  -8.220  -2.620  13.002
  620   HG23  THR  81          2HG2      THR  81  -6.837  -1.731  12.337
  621    H    ASP  82           H        ASP  82 -10.562  -3.482   9.889
  622    HA   ASP  82           HA       ASP  82 -10.374  -4.805   7.331
  623    HB2  ASP  82           1HB      ASP  82 -12.822  -3.914   8.887
  624    HB3  ASP  82           2HB      ASP  82 -12.793  -5.077   7.559
  625    H    ASP  83           H        ASP  83  -9.985  -1.660   7.722
  626    HA   ASP  83           HA       ASP  83 -11.017  -1.078   5.000
  627    HB2  ASP  83           1HB      ASP  83 -12.460   0.110   6.670
  628    HB3  ASP  83           2HB      ASP  83 -11.036   0.997   7.217
  629    H    ILE  84           H        ILE  84  -9.429  -0.646   3.729
  630    HA   ILE  84           HA       ILE  84  -6.688  -0.634   4.554
  631    HB   ILE  84           HB       ILE  84  -6.163  -0.530   2.225
  632   HG12  ILE  84          1HG1      ILE  84  -9.027   0.372   1.676
  633   HG13  ILE  84          2HG1      ILE  84  -7.595   1.401   1.654
  634   HG21  ILE  84          1HG2      ILE  84  -7.249  -2.634   3.014
  635   HG22  ILE  84          2HG2      ILE  84  -8.817  -2.034   2.443
  636   HG23  ILE  84          3HG2      ILE  84  -7.527  -2.360   1.297
  637   HD11  ILE  84          3HD1      ILE  84  -8.188   0.880  -0.586
  638   HD12  ILE  84          1HD1      ILE  84  -6.626   0.116  -0.183
  639   HD13  ILE  84          2HD1      ILE  84  -8.119  -0.862  -0.276
  640    H    THR  85           H        THR  85  -8.878   1.977   4.451
  641    HA   THR  85           HA       THR  85  -7.482   4.059   3.285
  642    HB   THR  85           HB       THR  85  -9.827   4.074   3.918
  643    HG1  THR  85           1HG      THR  85  -9.849   6.254   4.306
  644   HG21  THR  85          3HG2      THR  85 -10.568   4.779   6.101
  645   HG22  THR  85          1HG2      THR  85  -9.620   3.297   6.282
  646   HG23  THR  85          2HG2      THR  85  -8.897   4.871   6.702
  647    H    LYS  86           H        LYS  86  -6.924   2.896   6.583
  648    HA   LYS  86           HA       LYS  86  -5.288   5.112   7.430
  649    HB2  LYS  86           1HB      LYS  86  -5.167   2.187   8.323
  650    HB3  LYS  86           2HB      LYS  86  -4.406   3.556   9.114
  651    HG2  LYS  86           1HG      LYS  86  -6.237   3.290  10.437
  652    HG3  LYS  86           2HG      LYS  86  -6.809   4.547   9.343
  653    HD2  LYS  86           1HD      LYS  86  -8.062   2.875   8.055
  654    HD3  LYS  86           2HD      LYS  86  -7.363   1.559   8.994
  655    HE2  LYS  86           1HE      LYS  86  -9.026   3.783  10.260
  656    HE3  LYS  86           2HE      LYS  86  -9.773   2.362   9.518
  657    HZ1  LYS  86           3HZ      LYS  86  -9.467   1.999  11.865
  658    HZ2  LYS  86           1HZ      LYS  86  -8.517   0.960  11.027
  659    HZ3  LYS  86           2HZ      LYS  86  -7.857   2.261  11.790
  660    H    ALA  87           H        ALA  87  -4.584   2.228   5.520
  661    HA   ALA  87           HA       ALA  87  -1.677   2.786   5.409
  662    HB1  ALA  87           1HB      ALA  87  -2.680   0.442   5.594
  663    HB2  ALA  87           2HB      ALA  87  -3.308   0.655   3.945
  664    HB3  ALA  87           3HB      ALA  87  -1.553   0.684   4.256
  665    H    ALA  88           H        ALA  88  -4.557   2.900   3.287
  666    HA   ALA  88           HA       ALA  88  -3.201   3.622   0.916
  667    HB1  ALA  88           1HB      ALA  88  -5.554   2.724   1.158
  668    HB2  ALA  88           2HB      ALA  88  -6.057   4.356   1.678
  669    HB3  ALA  88           3HB      ALA  88  -5.383   4.096   0.063
  670    H    LYS  89           H        LYS  89  -4.673   5.836   3.381
  671    HA   LYS  89           HA       LYS  89  -3.960   8.254   1.980
  672    HB2  LYS  89           1HB      LYS  89  -4.503   7.595   4.895
  673    HB3  LYS  89           2HB      LYS  89  -4.188   9.241   4.323
  674    HG2  LYS  89           1HG      LYS  89  -6.114   9.172   2.829
  675    HG3  LYS  89           2HG      LYS  89  -6.454   7.488   3.263
  676    HD2  LYS  89           1HD      LYS  89  -6.862   8.120   5.592
  677    HD3  LYS  89           2HD      LYS  89  -6.475   9.811   5.252
  678    HE2  LYS  89           1HE      LYS  89  -8.733   8.255   3.909
  679    HE3  LYS  89           2HE      LYS  89  -8.949   9.223   5.370
  680    HZ1  LYS  89           3HZ      LYS  89  -9.541  10.491   3.412
  681    HZ2  LYS  89           1HZ      LYS  89  -8.236  11.178   4.110
  682    HZ3  LYS  89           2HZ      LYS  89  -8.064  10.288   2.746
  683    H    CYS  90           H        CYS  90  -2.131   6.232   4.241
  684    HA   CYS  90           HA       CYS  90   0.184   8.001   4.438
  685    HB2  CYS  90           1HB      CYS  90  -0.265   6.389   6.149
  686    HB3  CYS  90           2HB      CYS  90  -0.281   5.051   4.996
  687    H    ALA  91           H        ALA  91  -0.675   5.237   2.303
  688    HA   ALA  91           HA       ALA  91   1.661   5.264   0.709
  689    HB1  ALA  91           1HB      ALA  91  -0.074   3.486   0.761
  690    HB2  ALA  91           2HB      ALA  91  -1.186   4.559  -0.100
  691    HB3  ALA  91           3HB      ALA  91   0.306   4.026  -0.890
  692    H    LYS  92           H        LYS  92  -1.377   7.281   0.249
  693    HA   LYS  92           HA       LYS  92  -0.356   8.681  -2.009
  694    HB2  LYS  92           1HB      LYS  92  -2.081   9.897   0.177
  695    HB3  LYS  92           2HB      LYS  92  -1.908  10.443  -1.482
  696    HG2  LYS  92           1HG      LYS  92  -3.368   8.003  -0.467
  697    HG3  LYS  92           2HG      LYS  92  -4.025   9.407  -1.220
  698    HD2  LYS  92           1HD      LYS  92  -2.428   7.178  -2.510
  699    HD3  LYS  92           2HD      LYS  92  -4.113   7.580  -2.767
  700    HE2  LYS  92           1HE      LYS  92  -1.738   9.301  -3.628
  701    HE3  LYS  92           2HE      LYS  92  -2.669   8.235  -4.679
  702    HZ1  LYS  92           3HZ      LYS  92  -3.407  10.541  -4.849
  703    HZ2  LYS  92           1HZ      LYS  92  -4.625   9.614  -4.289
  704    HZ3  LYS  92           2HZ      LYS  92  -3.800  10.592  -3.265
  705    H    LYS  93           H        LYS  93   0.136   9.394   1.486
  706    HA   LYS  93           HA       LYS  93   1.660  11.777   1.003
  707    HB2  LYS  93           1HB      LYS  93   0.495  11.115   3.158
  708    HB3  LYS  93           2HB      LYS  93   1.853  10.019   3.477
  709    HG2  LYS  93           1HG      LYS  93   3.423  11.957   3.365
  710    HG3  LYS  93           2HG      LYS  93   2.067  13.031   2.982
  711    HD2  LYS  93           1HD      LYS  93   1.073  12.501   5.222
  712    HD3  LYS  93           2HD      LYS  93   2.503  11.498   5.575
  713    HE2  LYS  93           1HE      LYS  93   3.962  13.502   5.147
  714    HE3  LYS  93           2HE      LYS  93   2.508  14.482   4.913
  715    HZ1  LYS  93           3HZ      LYS  93   3.328  14.710   7.159
  716    HZ2  LYS  93           1HZ      LYS  93   1.891  13.935   7.229
  717    HZ3  LYS  93           2HZ      LYS  93   3.299  13.099   7.419
  718    H    ILE  94           H        ILE  94   2.669   8.396   1.031
  719    HA   ILE  94           HA       ILE  94   5.530   9.018   0.738
  720    HB   ILE  94           HB       ILE  94   3.937   6.506   0.077
  721   HG12  ILE  94          1HG1      ILE  94   5.838   6.988   2.403
  722   HG13  ILE  94          2HG1      ILE  94   4.120   7.269   2.559
  723   HG21  ILE  94          1HG2      ILE  94   5.964   6.583  -1.276
  724   HG22  ILE  94          2HG2      ILE  94   6.932   7.080   0.123
  725   HG23  ILE  94          3HG2      ILE  94   6.235   5.442   0.038
  726   HD11  ILE  94          3HD1      ILE  94   4.596   5.088   3.440
  727   HD12  ILE  94          1HD1      ILE  94   3.660   4.890   1.952
  728   HD13  ILE  94          2HD1      ILE  94   5.414   4.585   1.953
  729    H    TYR  95           H        TYR  95   2.894   8.257  -1.573
  730    HA   TYR  95           HA       TYR  95   4.393   8.353  -3.925
  731    HB2  TYR  95           1HB      TYR  95   2.380   7.413  -4.223
  732    HB3  TYR  95           2HB      TYR  95   1.535   8.524  -3.165
  733    HD1  TYR  95           2HD      TYR  95   0.986  10.884  -3.984
  734    HD2  TYR  95           1HD      TYR  95   2.113   7.629  -6.577
  735    HE1  TYR  95           2HE      TYR  95  -0.030  12.075  -5.915
  736    HE2  TYR  95           1HE      TYR  95   1.133   8.833  -8.517
  737    HH   TYR  95           HH       TYR  95  -0.458  12.033  -8.179
  738    H    LYS  96           H        LYS  96   3.310  11.074  -2.046
  739    HA   LYS  96           HA       LYS  96   3.736  13.241  -3.845
  740    HB2  LYS  96           1HB      LYS  96   4.059  12.829  -0.855
  741    HB3  LYS  96           2HB      LYS  96   4.373  14.400  -1.596
  742    HG2  LYS  96           1HG      LYS  96   2.080  14.456  -2.533
  743    HG3  LYS  96           2HG      LYS  96   1.716  12.919  -1.735
  744    HD2  LYS  96           1HD      LYS  96   2.261  13.980   0.474
  745    HD3  LYS  96           2HD      LYS  96   2.499  15.525  -0.340
  746    HE2  LYS  96           1HE      LYS  96  -0.101  13.912  -0.384
  747    HE3  LYS  96           2HE      LYS  96   0.240  15.218   0.754
  748    HZ1  LYS  96           3HZ      LYS  96  -1.030  16.035  -1.119
  749    HZ2  LYS  96           1HZ      LYS  96   0.442  16.739  -1.134
  750    HZ3  LYS  96           2HZ      LYS  96   0.094  15.539  -2.193
  751    H    ARG  97           H        ARG  97   6.135  11.101  -2.496
  752    HA   ARG  97           HA       ARG  97   8.316  12.799  -3.664
  753    HB2  ARG  97           1HB      ARG  97   8.412  11.140  -1.110
  754    HB3  ARG  97           2HB      ARG  97   9.799  11.927  -1.857
  755    HG2  ARG  97           1HG      ARG  97   7.337  13.352  -0.742
  756    HG3  ARG  97           2HG      ARG  97   8.891  13.184   0.071
  757    HD2  ARG  97           1HD      ARG  97  10.010  14.494  -1.665
  758    HD3  ARG  97           2HD      ARG  97   8.520  14.631  -2.592
  759    HE   ARG  97           HE       ARG  97   9.139  15.922   0.010
  760   HH11  ARG  97          1HH1      ARG  97   6.782  15.625  -2.641
  761   HH12  ARG  97          2HH1      ARG  97   5.977  17.098  -2.183
  762   HH21  ARG  97          1HH2      ARG  97   8.024  17.784   0.534
  763   HH22  ARG  97          2HH2      ARG  97   6.644  18.276  -0.399
  764    H    HIS  98           H        HIS  98   7.114   9.540  -3.039
  765    HA   HIS  98           HA       HIS  98   8.798   8.482  -5.276
  766    HB2  HIS  98           1HB      HIS  98   8.420   7.258  -2.517
  767    HB3  HIS  98           2HB      HIS  98   9.226   6.477  -3.880
  768    HD2  HIS  98           2HD      HIS  98   9.864   8.792  -0.995
  769    HE1  HIS  98           1HE      HIS  98  13.409   8.945  -3.347
  770    HE2  HIS  98           2HE      HIS  98  12.371   9.586  -1.110
  771    H    ARG  99           H        ARG  99   6.887   8.640  -6.575
  772    HA   ARG  99           HA       ARG  99   4.331   7.913  -5.983
  773    HB2  ARG  99           1HB      ARG  99   3.841   7.745  -8.268
  774    HB3  ARG  99           2HB      ARG  99   4.770   9.173  -7.813
  775    HG2  ARG  99           1HG      ARG  99   6.828   8.157  -8.778
  776    HG3  ARG  99           2HG      ARG  99   5.889   6.698  -9.219
  777    HD2  ARG  99           1HD      ARG  99   4.299   8.118 -10.441
  778    HD3  ARG  99           2HD      ARG  99   5.263   9.546 -10.040
  779    HE   ARG  99           HE       ARG  99   7.013   7.725 -11.302
  780   HH11  ARG  99          1HH1      ARG  99   4.163   9.574 -12.292
  781   HH12  ARG  99          2HH1      ARG  99   4.655   9.612 -13.958
  782   HH21  ARG  99          1HH2      ARG  99   7.589   7.813 -13.467
  783   HH22  ARG  99          2HH2      ARG  99   6.569   8.632 -14.610
  784    H    PHE 100           H        PHE 100   6.765   5.667  -7.243
  785    HA   PHE 100           HA       PHE 100   5.208   3.374  -6.160
  786    HB2  PHE 100           1HB      PHE 100   6.460   3.375  -8.919
  787    HB3  PHE 100           2HB      PHE 100   5.583   2.068  -8.127
  788    HD1  PHE 100           1HD      PHE 100   3.108   2.630  -7.364
  789    HD2  PHE 100           2HD      PHE 100   5.268   4.686 -10.479
  790    HE1  PHE 100           1HE      PHE 100   0.974   3.406  -8.327
  791    HE2  PHE 100           2HE      PHE 100   3.119   5.486 -11.433
  792    HZ   PHE 100           HZ       PHE 100   0.969   4.843 -10.357
  793    H    ASP 101           H        ASP 101   8.293   4.895  -6.717
  794    HA   ASP 101           HA       ASP 101   9.975   2.616  -6.704
  795    HB2  ASP 101           1HB      ASP 101  10.496   4.868  -7.625
  796    HB3  ASP 101           2HB      ASP 101  10.592   5.506  -5.983
  797    H    ALA 102           H        ALA 102   8.367   4.078  -4.040
  798    HA   ALA 102           HA       ALA 102  10.215   3.286  -1.935
  799    HB1  ALA 102           1HB      ALA 102   8.636   5.127  -1.625
  800    HB2  ALA 102           2HB      ALA 102   7.258   4.032  -1.891
  801    HB3  ALA 102           3HB      ALA 102   8.294   3.839  -0.464
  802    H    TRP 103           H        TRP 103   8.267   1.423  -3.975
  803    HA   TRP 103           HA       TRP 103   8.185  -0.864  -2.042
  804    HB2  TRP 103           1HB      TRP 103   6.204  -0.093  -4.220
  805    HB3  TRP 103           2HB      TRP 103   6.129  -1.560  -3.255
  806    HD1  TRP 103           HD       TRP 103   5.508  -1.317  -0.669
  807    HE1  TRP 103           1HE      TRP 103   4.093   0.372   0.584
  808    HE3  TRP 103           3HE      TRP 103   5.643   2.503  -4.070
  809    HZ2  TRP 103           2HZ      TRP 103   3.044   3.055   0.139
  810    HZ3  TRP 103           3HZ      TRP 103   4.422   4.614  -3.637
  811    HH2  TRP 103           HH       TRP 103   3.086   4.889  -1.559
  812    H    TYR 104           H        TYR 104   9.146  -2.641  -2.596
  813    HA   TYR 104           HA       TYR 104  10.871  -2.572  -4.878
  814    HB2  TYR 104           1HB      TYR 104  11.334  -3.552  -2.582
  815    HB3  TYR 104           2HB      TYR 104  10.341  -4.934  -3.045
  816    HD1  TYR 104           2HD      TYR 104  13.273  -2.873  -4.052
  817    HD2  TYR 104           1HD      TYR 104  11.317  -6.692  -4.374
  818    HE1  TYR 104           2HE      TYR 104  15.263  -3.785  -5.275
  819    HE2  TYR 104           1HE      TYR 104  13.288  -7.615  -5.592
  820    HH   TYR 104           HH       TYR 104  15.384  -7.182  -6.439
  821    H    GLY 105           H        GLY 105   7.822  -4.326  -4.275
  822    HA2  GLY 105           1HA      GLY 105   7.945  -6.228  -6.353
  823    HA3  GLY 105           2HA      GLY 105   6.458  -5.511  -5.687
  824    H    TRP 106           H        TRP 106   6.871  -2.815  -6.526
  825    HA   TRP 106           HA       TRP 106   5.859  -3.001  -9.179
  826    HB2  TRP 106           1HB      TRP 106   5.160  -1.248  -7.752
  827    HB3  TRP 106           2HB      TRP 106   6.806  -0.648  -7.550
  828    HD1  TRP 106           HD       TRP 106   3.910  -0.657 -10.040
  829    HE1  TRP 106           1HE      TRP 106   4.397   1.022 -11.934
  830    HE3  TRP 106           3HE      TRP 106   8.701   0.574  -8.787
  831    HZ2  TRP 106           2HZ      TRP 106   6.612   2.707 -12.774
  832    HZ3  TRP 106           3HZ      TRP 106  10.010   2.148 -10.152
  833    HH2  TRP 106           HH       TRP 106   8.974   3.246 -12.152
  834    H    LYS 107           H        LYS 107   9.111  -2.133  -8.018
  835    HA   LYS 107           HA       LYS 107  10.120  -1.850 -10.773
  836    HB2  LYS 107           1HB      LYS 107  12.266  -1.309  -9.681
  837    HB3  LYS 107           2HB      LYS 107  10.922  -0.249  -9.281
  838    HG2  LYS 107           1HG      LYS 107  10.620  -1.513  -7.124
  839    HG3  LYS 107           2HG      LYS 107  12.115  -2.398  -7.484
  840    HD2  LYS 107           1HD      LYS 107  11.757   0.605  -7.093
  841    HD3  LYS 107           2HD      LYS 107  12.465  -0.516  -5.927
  842    HE2  LYS 107           1HE      LYS 107  14.350  -0.973  -7.460
  843    HE3  LYS 107           2HE      LYS 107  13.621   0.073  -8.690
  844    HZ1  LYS 107           3HZ      LYS 107  15.293   1.286  -7.461
  845    HZ2  LYS 107           1HZ      LYS 107  13.818   1.935  -7.148
  846    HZ3  LYS 107           2HZ      LYS 107  14.553   0.988  -6.031
  847    H    ASN 108           H        ASN 108   9.673  -4.496  -8.692
  848    HA   ASN 108           HA       ASN 108  11.775  -6.142  -9.950
  849    HB2  ASN 108           1HB      ASN 108  11.367  -6.266  -7.537
  850    HB3  ASN 108           2HB      ASN 108   9.695  -6.756  -7.823
  851   HD21  ASN 108          2HD2      ASN 108   9.309  -8.965  -7.907
  852   HD22  ASN 108          1HD2      ASN 108  10.568 -10.165  -8.138
  853    H    HIS 109           H        HIS 109   8.182  -5.921 -10.055
  854    HA   HIS 109           HA       HIS 109   8.218  -7.889 -12.311
  855    HB2  HIS 109           1HB      HIS 109   7.018  -9.388 -11.244
  856    HB3  HIS 109           2HB      HIS 109   7.491  -8.582  -9.765
  857    HD2  HIS 109           2HD      HIS 109   5.563  -6.938  -8.619
  858    HE1  HIS 109           1HE      HIS 109   2.304  -8.533 -10.831
  859    HE2  HIS 109           2HE      HIS 109   2.949  -7.037  -8.869
  860    H    CYS 110           H        CYS 110   6.435  -5.091 -10.965
  861    HA   CYS 110           HA       CYS 110   4.424  -5.104 -13.029
  862    HB2  CYS 110           1HB      CYS 110   5.385  -2.730 -11.403
  863    HB3  CYS 110           2HB      CYS 110   3.883  -2.862 -12.283
  864    H    GLN 111           H        GLN 111   7.719  -4.319 -13.323
  865    HA   GLN 111           HA       GLN 111   7.527  -2.387 -15.499
  866    HB2  GLN 111           1HB      GLN 111   9.810  -4.291 -14.814
  867    HB3  GLN 111           2HB      GLN 111   9.904  -2.845 -15.814
  868    HG2  GLN 111           1HG      GLN 111   9.428  -2.963 -12.811
  869    HG3  GLN 111           2HG      GLN 111  10.877  -2.416 -13.630
  870   HE21  GLN 111          2HE2      GLN 111   8.073  -1.299 -12.118
  871   HE22  GLN 111          1HE2      GLN 111   8.098   0.318 -12.808
  872    H    GLY 112           H        GLY 112   7.210  -5.886 -15.319
  873    HA2  GLY 112           1HA      GLY 112   7.755  -6.323 -18.190
  874    HA3  GLY 112           2HA      GLY 112   7.297  -7.533 -16.969
  875    H    SER 113           H        SER 113   4.950  -6.647 -15.974
  876    HA   SER 113           HA       SER 113   3.010  -6.203 -18.172
  877    HB2  SER 113           1HB      SER 113   3.160  -8.765 -16.527
  878    HB3  SER 113           2HB      SER 113   1.783  -8.286 -17.525
  879    HG   SER 113           HG       SER 113   3.199  -9.748 -18.616
  880    H    LEU 114           H        LEU 114   1.025  -5.437 -17.463
  881    HA   LEU 114           HA       LEU 114   0.479  -5.307 -14.536
  882    HB2  LEU 114           1HB      LEU 114  -0.227  -3.389 -16.798
  883    HB3  LEU 114           2HB      LEU 114  -0.849  -3.260 -15.161
  884    HG   LEU 114           HG       LEU 114   2.118  -3.086 -15.865
  885   HD11  LEU 114          1HD1      LEU 114   0.809  -1.264 -16.871
  886   HD12  LEU 114          2HD1      LEU 114   0.100  -0.887 -15.279
  887   HD13  LEU 114          3HD1      LEU 114   1.845  -0.672 -15.557
  888   HD21  LEU 114          3HD2      LEU 114   2.248  -2.031 -13.577
  889   HD22  LEU 114          1HD2      LEU 114   0.567  -2.521 -13.295
  890   HD23  LEU 114          2HD2      LEU 114   1.829  -3.750 -13.541
  891    HA   PRO 115           HA       PRO 115  -3.292  -7.510 -15.609
  892    HB2  PRO 115           1HB      PRO 115  -4.883  -6.974 -13.489
  893    HB3  PRO 115           2HB      PRO 115  -3.391  -7.957 -13.321
  894    HG2  PRO 115           1HG      PRO 115  -3.749  -4.996 -12.741
  895    HG3  PRO 115           2HG      PRO 115  -2.997  -6.247 -11.696
  896    HD2  PRO 115           1HD      PRO 115  -1.529  -4.616 -13.339
  897    HD3  PRO 115           2HD      PRO 115  -1.058  -6.316 -13.013
  898    H    ASP 116           H        ASP 116  -5.488  -7.118 -16.288
  899    HA   ASP 116           HA       ASP 116  -6.078  -4.376 -17.167
  900    HB2  ASP 116           1HB      ASP 116  -6.502  -6.264 -18.668
  901    HB3  ASP 116           2HB      ASP 116  -7.609  -6.976 -17.489
  902    H    ILE 117           H        ILE 117  -7.832  -3.229 -16.611
  903    HA   ILE 117           HA       ILE 117  -9.339  -3.836 -14.089
  904    HB   ILE 117           HB       ILE 117  -9.148  -1.450 -13.475
  905   HG12  ILE 117          1HG1      ILE 117  -7.047  -1.221 -15.684
  906   HG13  ILE 117          2HG1      ILE 117  -8.704  -0.636 -15.843
  907   HG21  ILE 117          1HG2      ILE 117  -7.619  -3.164 -12.514
  908   HG22  ILE 117          2HG2      ILE 117  -6.412  -2.767 -13.749
  909   HG23  ILE 117          3HG2      ILE 117  -6.902  -1.550 -12.552
  910   HD11  ILE 117          3HD1      ILE 117  -7.290   1.198 -15.280
  911   HD12  ILE 117          1HD1      ILE 117  -8.351   0.859 -13.894
  912   HD13  ILE 117          2HD1      ILE 117  -6.642   0.339 -13.870
  913    H    SER 118           H        SER 118  -9.610  -3.244 -17.353
  914    HA   SER 118           HA       SER 118 -11.679  -1.305 -17.516
  915    HB2  SER 118           1HB      SER 118 -11.197  -3.601 -19.447
  916    HB3  SER 118           2HB      SER 118 -11.976  -2.051 -19.787
  917    HG   SER 118           HG       SER 118  -9.243  -2.635 -19.311
  918    H    SER 119           H        SER 119 -11.953  -4.552 -16.396
  919    HA   SER 119           HA       SER 119 -14.857  -4.799 -16.872
  920    HB2  SER 119           1HB      SER 119 -14.492  -6.941 -15.621
  921    HB3  SER 119           2HB      SER 119 -13.542  -6.782 -17.109
  922    HG   SER 119           HG       SER 119 -12.282  -7.577 -15.335
  923    H    CYS 120           H        CYS 120 -12.884  -3.269 -14.548
  924    HA   CYS 120           HA       CYS 120 -14.606  -3.791 -12.220
  925    HB2  CYS 120           1HB      CYS 120 -12.143  -2.056 -12.510
  926    HB3  CYS 120           2HB      CYS 120 -12.889  -2.580 -11.004
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  -9.318  -7.480  10.155
    2    H2   GLY   1           2H       GLY   1  -8.106  -8.573  10.380
    3    H3   GLY   1           3H       GLY   1  -7.827  -6.973  10.647
    4    HA2  GLY   1           1HA      GLY   1  -8.214  -6.468   8.338
    5    HA3  GLY   1           2HA      GLY   1  -6.843  -7.562   8.571
    6    H    LYS   2           H        LYS   2  -7.949  -7.451   6.147
    7    HA   LYS   2           HA       LYS   2  -9.191 -10.057   5.664
    8    HB2  LYS   2           1HB      LYS   2 -11.203  -9.185   4.642
    9    HB3  LYS   2           2HB      LYS   2 -11.108  -8.607   6.305
   10    HG2  LYS   2           1HG      LYS   2 -10.254  -6.406   5.498
   11    HG3  LYS   2           2HG      LYS   2 -10.376  -6.975   3.830
   12    HD2  LYS   2           1HD      LYS   2 -12.729  -6.740   5.744
   13    HD3  LYS   2           2HD      LYS   2 -12.256  -5.518   4.552
   14    HE2  LYS   2           1HE      LYS   2 -12.550  -7.177   2.721
   15    HE3  LYS   2           2HE      LYS   2 -13.084  -8.383   3.901
   16    HZ1  LYS   2           3HZ      LYS   2 -14.967  -7.275   2.859
   17    HZ2  LYS   2           1HZ      LYS   2 -14.949  -6.922   4.453
   18    HZ3  LYS   2           2HZ      LYS   2 -14.456  -5.807   3.362
   19    H    THR   3           H        THR   3  -9.508 -10.505   3.370
   20    HA   THR   3           HA       THR   3  -7.452  -9.188   1.669
   21    HB   THR   3           HB       THR   3  -8.670 -11.910   1.165
   22    HG1  THR   3           1HG      THR   3  -6.889 -12.729   2.271
   23   HG21  THR   3          3HG2      THR   3  -6.474 -12.209  -0.025
   24   HG22  THR   3          1HG2      THR   3  -7.427 -10.888  -0.716
   25   HG23  THR   3          2HG2      THR   3  -6.065 -10.522   0.362
   26    H    PHE   4           H        PHE   4  -7.920  -8.293  -0.189
   27    HA   PHE   4           HA       PHE   4 -10.761  -8.033  -1.057
   28    HB2  PHE   4           1HB      PHE   4  -8.277  -6.343  -1.537
   29    HB3  PHE   4           2HB      PHE   4  -9.805  -6.014  -2.297
   30    HD1  PHE   4           1HD      PHE   4  -8.167  -6.278   1.088
   31    HD2  PHE   4           2HD      PHE   4 -11.449  -4.660  -1.209
   32    HE1  PHE   4           1HE      PHE   4  -8.960  -5.043   3.077
   33    HE2  PHE   4           2HE      PHE   4 -12.232  -3.438   0.791
   34    HZ   PHE   4           HZ       PHE   4 -11.008  -3.638   2.946
   35    H    THR   5           H        THR   5 -11.227  -8.054  -3.300
   36    HA   THR   5           HA       THR   5  -9.584  -9.817  -5.056
   37    HB   THR   5           HB       THR   5 -11.475  -9.240  -6.710
   38    HG1  THR   5           1HG      THR   5 -13.427  -8.646  -5.435
   39   HG21  THR   5          3HG2      THR   5 -13.031 -10.802  -5.828
   40   HG22  THR   5          1HG2      THR   5 -11.380 -11.381  -5.567
   41   HG23  THR   5          2HG2      THR   5 -12.302 -10.701  -4.195
   42    H    ARG   6           H        ARG   6  -9.175  -8.919  -7.327
   43    HA   ARG   6           HA       ARG   6  -8.044  -6.267  -7.287
   44    HB2  ARG   6           1HB      ARG   6  -7.511  -8.141  -8.907
   45    HB3  ARG   6           2HB      ARG   6  -9.019  -7.776  -9.747
   46    HG2  ARG   6           1HG      ARG   6  -8.246  -5.469 -10.189
   47    HG3  ARG   6           2HG      ARG   6  -6.773  -5.753  -9.248
   48    HD2  ARG   6           1HD      ARG   6  -7.556  -7.220 -11.797
   49    HD3  ARG   6           2HD      ARG   6  -6.400  -5.886 -11.703
   50    HE   ARG   6           HE       ARG   6  -5.204  -7.478  -9.964
   51   HH11  ARG   6          1HH1      ARG   6  -6.794  -8.685 -12.901
   52   HH12  ARG   6          2HH1      ARG   6  -5.730 -10.058 -12.994
   53   HH21  ARG   6          1HH2      ARG   6  -3.775  -9.079 -10.270
   54   HH22  ARG   6          2HH2      ARG   6  -4.040 -10.299 -11.499
   55    H    CYS   7           H        CYS   7 -11.275  -7.561  -8.088
   56    HA   CYS   7           HA       CYS   7 -12.362  -5.113  -9.184
   57    HB2  CYS   7           1HB      CYS   7 -13.779  -7.454  -7.857
   58    HB3  CYS   7           2HB      CYS   7 -14.538  -6.202  -8.839
   59    H    GLY   8           H        GLY   8 -12.379  -6.439  -5.861
   60    HA2  GLY   8           1HA      GLY   8 -13.825  -4.244  -4.669
   61    HA3  GLY   8           2HA      GLY   8 -12.811  -5.447  -3.830
   62    H    LEU   9           H        LEU   9 -10.294  -4.977  -4.955
   63    HA   LEU   9           HA       LEU   9  -9.412  -2.697  -3.524
   64    HB2  LEU   9           1HB      LEU   9  -8.111  -4.779  -3.985
   65    HB3  LEU   9           2HB      LEU   9  -8.016  -4.334  -5.691
   66    HG   LEU   9           HG       LEU   9  -6.772  -2.282  -5.067
   67   HD11  LEU   9          1HD1      LEU   9  -7.564  -1.842  -2.813
   68   HD12  LEU   9          2HD1      LEU   9  -6.977  -3.419  -2.254
   69   HD13  LEU   9          3HD1      LEU   9  -5.826  -2.138  -2.729
   70   HD21  LEU   9          3HD2      LEU   9  -4.669  -3.370  -4.572
   71   HD22  LEU   9          1HD2      LEU   9  -5.506  -4.784  -3.893
   72   HD23  LEU   9          2HD2      LEU   9  -5.607  -4.430  -5.634
   73    H    VAL  10           H        VAL  10  -9.764  -3.098  -7.109
   74    HA   VAL  10           HA       VAL  10  -8.912  -0.513  -7.867
   75    HB   VAL  10           HB       VAL  10 -11.064  -2.320  -9.031
   76   HG11  VAL  10          1HG1      VAL  10 -11.758  -0.174  -9.828
   77   HG12  VAL  10          2HG1      VAL  10 -10.104   0.345 -10.133
   78   HG13  VAL  10          3HG1      VAL  10 -10.844  -0.907 -11.146
   79   HG21  VAL  10          3HG2      VAL  10  -9.420  -2.823 -10.732
   80   HG22  VAL  10          1HG2      VAL  10  -8.312  -1.586 -10.110
   81   HG23  VAL  10          2HG2      VAL  10  -8.642  -3.036  -9.160
   82    H    HIS  11           H        HIS  11 -12.099  -1.541  -6.663
   83    HA   HIS  11           HA       HIS  11 -13.364   1.067  -6.896
   84    HB2  HIS  11           1HB      HIS  11 -14.082  -1.540  -5.521
   85    HB3  HIS  11           2HB      HIS  11 -15.053  -0.091  -5.344
   86    HD2  HIS  11           2HD      HIS  11 -13.540  -0.863  -8.829
   87    HE1  HIS  11           1HE      HIS  11 -17.737  -1.556  -9.050
   88    HE2  HIS  11           2HE      HIS  11 -15.605  -1.387 -10.405
   89    H    GLU  12           H        GLU  12 -11.897  -0.696  -4.140
   90    HA   GLU  12           HA       GLU  12 -12.551   1.227  -2.141
   91    HB2  GLU  12           1HB      GLU  12 -11.523  -1.282  -2.117
   92    HB3  GLU  12           2HB      GLU  12 -10.030  -0.397  -1.920
   93    HG2  GLU  12           1HG      GLU  12 -10.968  -1.078   0.221
   94    HG3  GLU  12           2HG      GLU  12 -10.987   0.690   0.100
   95    H    LEU  13           H        LEU  13  -9.694   0.953  -4.274
   96    HA   LEU  13           HA       LEU  13  -8.362   3.295  -3.165
   97    HB2  LEU  13           1HB      LEU  13  -8.068   1.820  -5.792
   98    HB3  LEU  13           2HB      LEU  13  -6.916   3.006  -5.182
   99    HG   LEU  13           HG       LEU  13  -7.581   0.377  -3.845
  100   HD11  LEU  13          1HD1      LEU  13  -6.405   0.038  -5.944
  101   HD12  LEU  13          2HD1      LEU  13  -5.186   1.262  -5.499
  102   HD13  LEU  13          3HD1      LEU  13  -5.289  -0.272  -4.600
  103   HD21  LEU  13          3HD2      LEU  13  -5.641   0.776  -2.425
  104   HD22  LEU  13          1HD2      LEU  13  -5.384   2.367  -3.188
  105   HD23  LEU  13          2HD2      LEU  13  -6.830   2.061  -2.199
  106    H    ARG  14           H        ARG  14 -10.498   2.783  -5.973
  107    HA   ARG  14           HA       ARG  14 -10.524   5.470  -6.964
  108    HB2  ARG  14           1HB      ARG  14 -12.510   3.208  -7.000
  109    HB3  ARG  14           2HB      ARG  14 -13.057   4.811  -7.468
  110    HG2  ARG  14           1HG      ARG  14 -11.566   4.965  -9.295
  111    HG3  ARG  14           2HG      ARG  14 -10.620   3.560  -8.768
  112    HD2  ARG  14           1HD      ARG  14 -12.300   2.027  -9.309
  113    HD3  ARG  14           2HD      ARG  14 -13.568   3.268  -9.389
  114    HE   ARG  14           HE       ARG  14 -11.872   4.004 -11.416
  115   HH11  ARG  14          1HH1      ARG  14 -13.635   1.020 -10.703
  116   HH12  ARG  14          2HH1      ARG  14 -13.760   0.579 -12.388
  117   HH21  ARG  14          1HH2      ARG  14 -12.243   3.472 -13.573
  118   HH22  ARG  14          2HH2      ARG  14 -12.978   1.930 -13.957
  119    H    LYS  15           H        LYS  15 -12.497   4.029  -4.315
  120    HA   LYS  15           HA       LYS  15 -13.885   6.459  -3.594
  121    HB2  LYS  15           1HB      LYS  15 -13.172   3.933  -2.053
  122    HB3  LYS  15           2HB      LYS  15 -14.160   5.229  -1.387
  123    HG2  LYS  15           1HG      LYS  15 -15.940   4.849  -2.926
  124    HG3  LYS  15           2HG      LYS  15 -14.938   3.850  -3.982
  125    HD2  LYS  15           1HD      LYS  15 -16.431   2.411  -2.713
  126    HD3  LYS  15           2HD      LYS  15 -14.756   2.120  -2.237
  127    HE2  LYS  15           1HE      LYS  15 -15.162   3.729  -0.274
  128    HE3  LYS  15           2HE      LYS  15 -16.879   3.690  -0.707
  129    HZ1  LYS  15           3HZ      LYS  15 -16.392   2.052   0.986
  130    HZ2  LYS  15           1HZ      LYS  15 -16.750   1.235  -0.388
  131    HZ3  LYS  15           2HZ      LYS  15 -15.185   1.389   0.106
  132    H    HIS  16           H        HIS  16 -10.784   5.074  -2.517
  133    HA   HIS  16           HA       HIS  16 -10.390   7.118  -0.506
  134    HB2  HIS  16           1HB      HIS  16  -8.665   4.807  -1.476
  135    HB3  HIS  16           2HB      HIS  16  -8.257   5.864  -0.123
  136    HD2  HIS  16           2HD      HIS  16  -8.389   3.184   0.930
  137    HE1  HIS  16           1HE      HIS  16 -12.508   3.538   1.863
  138    HE2  HIS  16           2HE      HIS  16 -10.414   2.232   2.355
  139    H    GLY  17           H        GLY  17  -9.863   7.369  -3.795
  140    HA2  GLY  17           1HA      GLY  17  -9.353   9.523  -4.659
  141    HA3  GLY  17           2HA      GLY  17  -8.246   9.839  -3.308
  142    H    PHE  18           H        PHE  18  -8.054   6.808  -5.111
  143    HA   PHE  18           HA       PHE  18  -5.402   7.549  -6.197
  144    HB2  PHE  18           1HB      PHE  18  -6.976   4.977  -6.103
  145    HB3  PHE  18           2HB      PHE  18  -5.431   5.136  -6.906
  146    HD1  PHE  18           2HD      PHE  18  -6.943   5.819  -3.479
  147    HD2  PHE  18           1HD      PHE  18  -3.527   4.494  -5.741
  148    HE1  PHE  18           2HE      PHE  18  -5.742   5.392  -1.399
  149    HE2  PHE  18           1HE      PHE  18  -2.326   4.003  -3.627
  150    HZ   PHE  18           HZ       PHE  18  -3.426   4.444  -1.446
  151    H    GLU  19           H        GLU  19  -5.008   7.895  -8.350
  152    HA   GLU  19           HA       GLU  19  -7.196   8.545 -10.123
  153    HB2  GLU  19           1HB      GLU  19  -4.219   8.202 -10.646
  154    HB3  GLU  19           2HB      GLU  19  -5.375   8.846 -11.807
  155    HG2  GLU  19           1HG      GLU  19  -4.672  10.101  -9.124
  156    HG3  GLU  19           2HG      GLU  19  -4.061  10.598 -10.699
  157    H    GLU  20           H        GLU  20  -8.235   7.288 -11.622
  158    HA   GLU  20           HA       GLU  20  -7.798   4.499 -11.582
  159    HB2  GLU  20           1HB      GLU  20  -9.547   4.237 -13.112
  160    HB3  GLU  20           2HB      GLU  20  -9.971   5.486 -11.942
  161    HG2  GLU  20           1HG      GLU  20  -9.388   7.231 -13.651
  162    HG3  GLU  20           2HG      GLU  20  -9.080   5.942 -14.824
  163    H    ASN  21           H        ASN  21  -6.231   6.867 -13.601
  164    HA   ASN  21           HA       ASN  21  -5.313   4.928 -15.577
  165    HB2  ASN  21           1HB      ASN  21  -4.156   6.642 -16.583
  166    HB3  ASN  21           2HB      ASN  21  -5.565   7.456 -15.927
  167   HD21  ASN  21          2HD2      ASN  21  -5.203   9.110 -14.303
  168   HD22  ASN  21          1HD2      ASN  21  -3.584   9.594 -13.851
  169    H    LEU  22           H        LEU  22  -4.256   5.865 -12.371
  170    HA   LEU  22           HA       LEU  22  -1.624   4.501 -12.651
  171    HB2  LEU  22           1HB      LEU  22  -2.932   5.886 -10.276
  172    HB3  LEU  22           2HB      LEU  22  -1.289   5.257 -10.334
  173    HG   LEU  22           HG       LEU  22  -2.386   7.596 -11.924
  174   HD11  LEU  22          1HD1      LEU  22  -1.995   8.039  -9.521
  175   HD12  LEU  22          2HD1      LEU  22  -0.326   7.452  -9.682
  176   HD13  LEU  22          3HD1      LEU  22  -0.843   8.925 -10.533
  177   HD21  LEU  22          3HD2      LEU  22  -0.065   7.983 -12.686
  178   HD22  LEU  22          1HD2      LEU  22   0.444   6.452 -11.935
  179   HD23  LEU  22          2HD2      LEU  22  -0.698   6.457 -13.301
  180    H    MET  23           H        MET  23  -4.847   3.794 -11.672
  181    HA   MET  23           HA       MET  23  -4.676   2.035  -9.612
  182    HB2  MET  23           1HB      MET  23  -6.658   2.911 -10.975
  183    HB3  MET  23           2HB      MET  23  -6.458   1.528 -12.016
  184    HG2  MET  23           1HG      MET  23  -8.190   1.112 -10.328
  185    HG3  MET  23           2HG      MET  23  -6.824   0.036 -10.039
  186    HE1  MET  23           3HE      MET  23  -8.064   3.737  -7.594
  187    HE2  MET  23           1HE      MET  23  -6.898   4.002  -8.908
  188    HE3  MET  23           2HE      MET  23  -8.508   3.343  -9.262
  189    H    ARG  24           H        ARG  24  -4.172   1.017 -13.038
  190    HA   ARG  24           HA       ARG  24  -3.688  -1.707 -12.613
  191    HB2  ARG  24           1HB      ARG  24  -2.317   0.136 -14.625
  192    HB3  ARG  24           2HB      ARG  24  -2.373  -1.629 -14.694
  193    HG2  ARG  24           1HG      ARG  24  -4.872  -1.516 -14.821
  194    HG3  ARG  24           2HG      ARG  24  -4.754   0.251 -14.888
  195    HD2  ARG  24           1HD      ARG  24  -5.016  -0.508 -17.128
  196    HD3  ARG  24           2HD      ARG  24  -3.336   0.032 -16.949
  197    HE   ARG  24           HE       ARG  24  -3.666  -2.807 -16.416
  198   HH11  ARG  24          1HH1      ARG  24  -3.446  -0.571 -19.152
  199   HH12  ARG  24          2HH1      ARG  24  -2.843  -1.798 -20.223
  200   HH21  ARG  24          1HH2      ARG  24  -2.799  -4.325 -17.834
  201   HH22  ARG  24          2HH2      ARG  24  -2.516  -3.894 -19.490
  202    H    ASN  25           H        ASN  25  -1.340   0.984 -12.249
  203    HA   ASN  25           HA       ASN  25   0.933  -0.743 -11.625
  204    HB2  ASN  25           1HB      ASN  25   0.429   2.236 -11.214
  205    HB3  ASN  25           2HB      ASN  25   1.895   1.417 -10.708
  206   HD21  ASN  25          2HD2      ASN  25   0.168   2.700 -13.490
  207   HD22  ASN  25          1HD2      ASN  25   1.446   2.346 -14.635
  208    H    TRP  26           H        TRP  26  -1.393   1.201  -9.650
  209    HA   TRP  26           HA       TRP  26  -0.264   0.541  -7.138
  210    HB2  TRP  26           1HB      TRP  26  -3.005   1.489  -8.019
  211    HB3  TRP  26           2HB      TRP  26  -2.644   1.143  -6.339
  212    HD1  TRP  26           HD       TRP  26  -2.577   3.952  -8.663
  213    HE1  TRP  26           1HE      TRP  26  -1.375   5.958  -7.620
  214    HE3  TRP  26           3HE      TRP  26  -0.111   1.544  -4.875
  215    HZ2  TRP  26           2HZ      TRP  26   0.207   6.501  -5.244
  216    HZ3  TRP  26           3HZ      TRP  26   1.231   2.826  -3.237
  217    HH2  TRP  26           HH       TRP  26   1.377   5.304  -3.394
  218    H    VAL  27           H        VAL  27  -3.048  -1.086  -8.810
  219    HA   VAL  27           HA       VAL  27  -3.322  -2.993  -6.678
  220    HB   VAL  27           HB       VAL  27  -4.741  -4.335  -7.992
  221   HG11  VAL  27          1HG1      VAL  27  -5.597  -2.153  -7.149
  222   HG12  VAL  27          2HG1      VAL  27  -5.322  -1.457  -8.756
  223   HG13  VAL  27          3HG1      VAL  27  -6.470  -2.787  -8.554
  224   HG21  VAL  27          3HG2      VAL  27  -5.214  -3.897 -10.404
  225   HG22  VAL  27          1HG2      VAL  27  -3.795  -2.829 -10.452
  226   HG23  VAL  27          2HG2      VAL  27  -3.607  -4.558 -10.091
  227    H    CYS  28           H        CYS  28  -1.298  -3.112  -9.640
  228    HA   CYS  28           HA       CYS  28  -0.512  -5.861  -9.267
  229    HB2  CYS  28           1HB      CYS  28  -0.446  -4.404 -11.339
  230    HB3  CYS  28           2HB      CYS  28   1.038  -3.691 -10.720
  231    H    LEU  29           H        LEU  29   0.954  -2.784  -8.239
  232    HA   LEU  29           HA       LEU  29   3.230  -3.786  -6.835
  233    HB2  LEU  29           1HB      LEU  29   2.840  -1.481  -7.530
  234    HB3  LEU  29           2HB      LEU  29   1.456  -1.322  -6.471
  235    HG   LEU  29           HG       LEU  29   4.324  -1.692  -5.513
  236   HD11  LEU  29          1HD1      LEU  29   3.943   0.436  -6.776
  237   HD12  LEU  29          2HD1      LEU  29   2.580   0.816  -5.705
  238   HD13  LEU  29          3HD1      LEU  29   4.230   0.733  -5.061
  239   HD21  LEU  29          3HD2      LEU  29   3.358  -0.734  -3.366
  240   HD22  LEU  29          1HD2      LEU  29   1.740  -0.980  -4.042
  241   HD23  LEU  29          2HD2      LEU  29   2.817  -2.362  -3.729
  242    H    VAL  30           H        VAL  30  -0.042  -2.953  -5.569
  243    HA   VAL  30           HA       VAL  30   0.383  -3.933  -2.951
  244    HB   VAL  30           HB       VAL  30  -2.120  -3.517  -4.603
  245   HG11  VAL  30          1HG1      VAL  30  -2.778  -5.240  -3.010
  246   HG12  VAL  30          2HG1      VAL  30  -2.018  -4.338  -1.684
  247   HG13  VAL  30          3HG1      VAL  30  -3.449  -3.690  -2.518
  248   HG21  VAL  30          3HG2      VAL  30  -2.408  -1.566  -3.143
  249   HG22  VAL  30          1HG2      VAL  30  -1.001  -2.047  -2.168
  250   HG23  VAL  30          2HG2      VAL  30  -0.783  -1.519  -3.842
  251    H    GLU  31           H        GLU  31  -0.884  -5.719  -5.802
  252    HA   GLU  31           HA       GLU  31  -1.421  -8.170  -4.460
  253    HB2  GLU  31           1HB      GLU  31  -0.758  -7.431  -7.334
  254    HB3  GLU  31           2HB      GLU  31  -0.981  -9.121  -6.868
  255    HG2  GLU  31           1HG      GLU  31  -3.206  -8.779  -6.139
  256    HG3  GLU  31           2HG      GLU  31  -3.072  -7.023  -6.226
  257    H    HIS  32           H        HIS  32   1.735  -6.856  -5.536
  258    HA   HIS  32           HA       HIS  32   3.064  -9.445  -5.002
  259    HB2  HIS  32           1HB      HIS  32   3.838  -8.058  -6.856
  260    HB3  HIS  32           2HB      HIS  32   4.131  -6.701  -5.762
  261    HD2  HIS  32           2HD      HIS  32   6.148  -6.955  -3.982
  262    HE1  HIS  32           1HE      HIS  32   7.971 -10.386  -5.722
  263    HE2  HIS  32           2HE      HIS  32   8.267  -8.525  -4.003
  264    H    GLU  33           H        GLU  33   2.652  -6.253  -3.436
  265    HA   GLU  33           HA       GLU  33   4.647  -6.795  -1.399
  266    HB2  GLU  33           1HB      GLU  33   2.540  -4.622  -1.648
  267    HB3  GLU  33           2HB      GLU  33   3.709  -4.696  -0.340
  268    HG2  GLU  33           1HG      GLU  33   4.376  -4.416  -3.298
  269    HG3  GLU  33           2HG      GLU  33   4.398  -3.130  -2.100
  270    H    SER  34           H        SER  34   1.012  -6.533  -1.142
  271    HA   SER  34           HA       SER  34   1.209  -8.054   1.438
  272    HB2  SER  34           1HB      SER  34  -0.869  -6.994   2.034
  273    HB3  SER  34           2HB      SER  34   0.306  -5.754   1.578
  274    HG   SER  34           HG       SER  34  -0.987  -5.168   0.039
  275    H    SER  35           H        SER  35   0.210  -8.429  -1.783
  276    HA   SER  35           HA       SER  35  -1.097  -9.894  -2.919
  277    HB2  SER  35           1HB      SER  35  -1.787 -11.448  -0.447
  278    HB3  SER  35           2HB      SER  35  -1.746 -11.981  -2.123
  279    HG   SER  35           HG       SER  35   0.568 -11.807  -2.044
  280    H    ARG  36           H        ARG  36  -2.177  -7.471  -1.500
  281    HA   ARG  36           HA       ARG  36  -4.126  -6.369  -1.318
  282    HB2  ARG  36           1HB      ARG  36  -5.769  -8.707  -2.305
  283    HB3  ARG  36           2HB      ARG  36  -6.109  -6.983  -2.395
  284    HG2  ARG  36           1HG      ARG  36  -4.117  -6.810  -4.002
  285    HG3  ARG  36           2HG      ARG  36  -4.105  -8.562  -4.045
  286    HD2  ARG  36           1HD      ARG  36  -6.575  -6.916  -4.726
  287    HD3  ARG  36           2HD      ARG  36  -5.417  -7.473  -5.925
  288    HE   ARG  36           HE       ARG  36  -7.025  -9.244  -4.119
  289   HH11  ARG  36          1HH1      ARG  36  -5.576  -8.843  -7.373
  290   HH12  ARG  36          2HH1      ARG  36  -6.036 -10.461  -7.813
  291   HH21  ARG  36          1HH2      ARG  36  -7.489 -11.281  -4.775
  292   HH22  ARG  36          2HH2      ARG  36  -7.137 -11.799  -6.396
  293    H    ASP  37           H        ASP  37  -3.083  -7.980   0.845
  294    HA   ASP  37           HA       ASP  37  -5.559  -8.570   2.456
  295    HB2  ASP  37           1HB      ASP  37  -4.390 -10.645   1.968
  296    HB3  ASP  37           2HB      ASP  37  -2.870  -9.956   2.520
  297    H    THR  38           H        THR  38  -5.888  -7.157   4.040
  298    HA   THR  38           HA       THR  38  -3.840  -5.245   4.796
  299    HB   THR  38           HB       THR  38  -5.338  -4.449   6.550
  300    HG1  THR  38           1HG      THR  38  -7.307  -5.296   6.807
  301   HG21  THR  38          3HG2      THR  38  -7.184  -3.666   5.142
  302   HG22  THR  38          1HG2      THR  38  -5.634  -3.547   4.301
  303   HG23  THR  38          2HG2      THR  38  -6.770  -4.866   3.902
  304    H    SER  39           H        SER  39  -4.706  -8.419   6.089
  305    HA   SER  39           HA       SER  39  -3.465  -7.984   8.687
  306    HB2  SER  39           1HB      SER  39  -4.344 -10.505   7.235
  307    HB3  SER  39           2HB      SER  39  -3.773 -10.437   8.900
  308    HG   SER  39           HG       SER  39  -6.057 -10.394   8.778
  309    H    LYS  40           H        LYS  40  -1.990  -8.300   5.666
  310    HA   LYS  40           HA       LYS  40   0.004 -10.265   6.311
  311    HB2  LYS  40           1HB      LYS  40  -0.900  -9.592   4.005
  312    HB3  LYS  40           2HB      LYS  40   0.097  -8.156   4.122
  313    HG2  LYS  40           1HG      LYS  40   1.291  -9.771   2.816
  314    HG3  LYS  40           2HG      LYS  40   2.138  -9.611   4.326
  315    HD2  LYS  40           1HD      LYS  40   2.023 -11.950   3.565
  316    HD3  LYS  40           2HD      LYS  40   1.231 -11.748   5.114
  317    HE2  LYS  40           1HE      LYS  40  -0.082 -13.240   3.749
  318    HE3  LYS  40           2HE      LYS  40  -0.996 -11.757   4.008
  319    HZ1  LYS  40           3HZ      LYS  40  -1.064 -12.552   1.697
  320    HZ2  LYS  40           1HZ      LYS  40  -0.429 -11.054   1.767
  321    HZ3  LYS  40           2HZ      LYS  40   0.545 -12.353   1.532
  322    H    THR  41           H        THR  41   2.149 -10.078   6.785
  323    HA   THR  41           HA       THR  41   3.429  -7.501   7.402
  324    HB   THR  41           HB       THR  41   4.259  -8.606   9.618
  325    HG1  THR  41           1HG      THR  41   2.712  -9.983  10.549
  326   HG21  THR  41          3HG2      THR  41   2.390  -7.707  10.956
  327   HG22  THR  41          1HG2      THR  41   2.966  -6.581   9.741
  328   HG23  THR  41          2HG2      THR  41   1.445  -7.472   9.467
  329    H    ASN  42           H        ASN  42   5.624  -7.550   7.576
  330    HA   ASN  42           HA       ASN  42   7.133 -10.043   7.033
  331    HB2  ASN  42           1HB      ASN  42   6.917  -7.672   5.136
  332    HB3  ASN  42           2HB      ASN  42   8.334  -8.707   5.159
  333   HD21  ASN  42          2HD2      ASN  42   5.066  -8.430   4.031
  334   HD22  ASN  42          1HD2      ASN  42   5.029  -9.995   3.224
  335    H    THR  43           H        THR  43   8.892 -10.059   8.296
  336    HA   THR  43           HA       THR  43   9.762  -7.602   9.698
  337    HB   THR  43           HB       THR  43  10.652 -10.473  10.138
  338    HG1  THR  43           1HG      THR  43   9.033 -10.478  11.703
  339   HG21  THR  43          3HG2      THR  43  11.112  -9.612  12.450
  340   HG22  THR  43          1HG2      THR  43  12.129  -8.833  11.237
  341   HG23  THR  43          2HG2      THR  43  10.723  -7.967  11.898
  342    H    ASN  44           H        ASN  44  11.793  -6.760   9.658
  343    HA   ASN  44           HA       ASN  44  13.466  -7.440   7.284
  344    HB2  ASN  44           1HB      ASN  44  13.274  -4.874   8.917
  345    HB3  ASN  44           2HB      ASN  44  14.233  -5.107   7.460
  346   HD21  ASN  44          2HD2      ASN  44  10.990  -4.726   8.730
  347   HD22  ASN  44          1HD2      ASN  44  10.227  -4.343   7.172
  348    H    ARG  45           H        ARG  45  15.767  -7.190   7.436
  349    HA   ARG  45           HA       ARG  45  17.018  -8.501   9.650
  350    HB2  ARG  45           1HB      ARG  45  18.315  -6.814   7.466
  351    HB3  ARG  45           2HB      ARG  45  19.132  -7.974   8.524
  352    HG2  ARG  45           1HG      ARG  45  17.661  -9.792   7.597
  353    HG3  ARG  45           2HG      ARG  45  16.988  -8.609   6.457
  354    HD2  ARG  45           1HD      ARG  45  19.253  -8.206   5.533
  355    HD3  ARG  45           2HD      ARG  45  19.932  -9.400   6.639
  356    HE   ARG  45           HE       ARG  45  18.375  -9.872   4.198
  357   HH11  ARG  45          1HH1      ARG  45  19.514 -11.435   7.166
  358   HH12  ARG  45          2HH1      ARG  45  19.338 -13.029   6.497
  359   HH21  ARG  45          1HH2      ARG  45  18.168 -11.951   3.407
  360   HH22  ARG  45          2HH2      ARG  45  18.584 -13.314   4.401
  361    H    ASN  46           H        ASN  46  16.403  -5.135   9.066
  362    HA   ASN  46           HA       ASN  46  18.166  -3.996  11.042
  363    HB2  ASN  46           1HB      ASN  46  17.214  -2.785   9.106
  364    HB3  ASN  46           2HB      ASN  46  15.590  -2.963   9.776
  365   HD21  ASN  46          2HD2      ASN  46  18.831  -1.517  10.473
  366   HD22  ASN  46          1HD2      ASN  46  18.179  -0.196  11.425
  367    H    GLY  47           H        GLY  47  15.262  -5.824  11.443
  368    HA2  GLY  47           1HA      GLY  47  14.323  -6.527  13.467
  369    HA3  GLY  47           2HA      GLY  47  15.046  -5.146  14.326
  370    H    SER  48           H        SER  48  13.694  -3.775  11.649
  371    HA   SER  48           HA       SER  48  11.154  -3.016  12.936
  372    HB2  SER  48           1HB      SER  48  10.953  -1.557  10.946
  373    HB3  SER  48           2HB      SER  48  12.451  -1.297  11.842
  374    HG   SER  48           HG       SER  48  13.076  -1.427   9.732
  375    H    LYS  49           H        LYS  49   9.152  -3.122  11.670
  376    HA   LYS  49           HA       LYS  49   8.951  -5.503   9.881
  377    HB2  LYS  49           1HB      LYS  49   8.317  -6.013  12.283
  378    HB3  LYS  49           2HB      LYS  49   6.970  -4.898  12.102
  379    HG2  LYS  49           1HG      LYS  49   5.904  -6.254  10.453
  380    HG3  LYS  49           2HG      LYS  49   7.357  -7.233  10.222
  381    HD2  LYS  49           1HD      LYS  49   5.681  -8.467  11.476
  382    HD3  LYS  49           2HD      LYS  49   7.151  -8.204  12.430
  383    HE2  LYS  49           1HE      LYS  49   6.025  -6.337  13.615
  384    HE3  LYS  49           2HE      LYS  49   4.557  -6.635  12.669
  385    HZ1  LYS  49           3HZ      LYS  49   4.461  -7.724  14.842
  386    HZ2  LYS  49           1HZ      LYS  49   4.458  -8.860  13.666
  387    HZ3  LYS  49           2HZ      LYS  49   5.817  -8.578  14.531
  388    H    ASP  50           H        ASP  50   7.367  -5.503   8.391
  389    HA   ASP  50           HA       ASP  50   6.275  -2.872   7.558
  390    HB2  ASP  50           1HB      ASP  50   6.561  -5.520   6.076
  391    HB3  ASP  50           2HB      ASP  50   5.991  -4.010   5.399
  392    H    TYR  51           H        TYR  51   4.080  -2.573   7.370
  393    HA   TYR  51           HA       TYR  51   2.220  -4.803   8.143
  394    HB2  TYR  51           1HB      TYR  51   2.341  -1.934   9.148
  395    HB3  TYR  51           2HB      TYR  51   1.095  -3.095   9.562
  396    HD1  TYR  51           2HD      TYR  51   4.701  -2.254   9.962
  397    HD2  TYR  51           1HD      TYR  51   1.412  -4.660  11.346
  398    HE1  TYR  51           2HE      TYR  51   5.968  -2.796  12.027
  399    HE2  TYR  51           1HE      TYR  51   2.660  -5.171  13.439
  400    HH   TYR  51           HH       TYR  51   4.507  -4.646  14.731
  401    H    GLY  52           H        GLY  52   0.103  -4.716   7.395
  402    HA2  GLY  52           1HA      GLY  52  -1.815  -3.876   6.392
  403    HA3  GLY  52           2HA      GLY  52  -1.018  -2.305   6.242
  404    H    LEU  53           H        LEU  53  -2.483  -2.557   4.268
  405    HA   LEU  53           HA       LEU  53  -1.828  -4.452   2.325
  406    HB2  LEU  53           1HB      LEU  53  -3.886  -2.621   2.707
  407    HB3  LEU  53           2HB      LEU  53  -2.999  -1.803   1.433
  408    HG   LEU  53           HG       LEU  53  -3.072  -4.240   0.288
  409   HD11  LEU  53          1HD1      LEU  53  -4.117  -5.287   2.245
  410   HD12  LEU  53          2HD1      LEU  53  -5.522  -4.204   2.084
  411   HD13  LEU  53          3HD1      LEU  53  -5.184  -5.379   0.823
  412   HD21  LEU  53          3HD2      LEU  53  -5.133  -3.678  -0.825
  413   HD22  LEU  53          1HD2      LEU  53  -5.477  -2.414   0.394
  414   HD23  LEU  53          2HD2      LEU  53  -4.081  -2.244  -0.700
  415    H    PHE  54           H        PHE  54  -0.214  -1.464   2.809
  416    HA   PHE  54           HA       PHE  54   1.264  -1.780   0.227
  417    HB2  PHE  54           1HB      PHE  54   1.015   0.620   2.063
  418    HB3  PHE  54           2HB      PHE  54   1.908   0.575   0.556
  419    HD1  PHE  54           2HD      PHE  54  -1.506   0.429   2.025
  420    HD2  PHE  54           1HD      PHE  54   0.806   0.825  -1.585
  421    HE1  PHE  54           2HE      PHE  54  -3.553   1.057   0.800
  422    HE2  PHE  54           1HE      PHE  54  -1.248   1.504  -2.805
  423    HZ   PHE  54           HZ       PHE  54  -3.429   1.614  -1.626
  424    H    GLN  55           H        GLN  55   1.587  -3.051   3.145
  425    HA   GLN  55           HA       GLN  55   3.238  -3.671   4.543
  426    HB2  GLN  55           1HB      GLN  55   4.690  -3.746   1.865
  427    HB3  GLN  55           2HB      GLN  55   5.361  -4.441   3.333
  428    HG2  GLN  55           1HG      GLN  55   2.761  -5.293   2.010
  429    HG3  GLN  55           2HG      GLN  55   4.310  -6.143   1.997
  430   HE21  GLN  55          2HE2      GLN  55   1.383  -5.537   3.911
  431   HE22  GLN  55          1HE2      GLN  55   1.886  -6.508   5.267
  432    H    ILE  56           H        ILE  56   2.932  -1.347   5.274
  433    HA   ILE  56           HA       ILE  56   5.121   0.527   4.719
  434    HB   ILE  56           HB       ILE  56   2.754   0.865   6.613
  435   HG12  ILE  56          1HG1      ILE  56   2.995   1.434   3.616
  436   HG13  ILE  56          2HG1      ILE  56   1.874   0.277   4.368
  437   HG21  ILE  56          1HG2      ILE  56   4.656   2.455   6.814
  438   HG22  ILE  56          2HG2      ILE  56   4.421   2.919   5.116
  439   HG23  ILE  56          3HG2      ILE  56   3.154   3.222   6.334
  440   HD11  ILE  56          3HD1      ILE  56   0.518   2.081   3.802
  441   HD12  ILE  56          1HD1      ILE  56   0.822   2.336   5.533
  442   HD13  ILE  56          2HD1      ILE  56   1.721   3.267   4.300
  443    H    ASN  57           H        ASN  57   6.798   1.009   6.065
  444    HA   ASN  57           HA       ASN  57   7.256  -0.909   8.220
  445    HB2  ASN  57           1HB      ASN  57   8.852  -0.550   6.379
  446    HB3  ASN  57           2HB      ASN  57   9.104   1.110   6.943
  447   HD21  ASN  57          2HD2      ASN  57   9.804  -2.279   7.525
  448   HD22  ASN  57          1HD2      ASN  57  10.996  -1.987   8.800
  449    H    ASP  58           H        ASP  58   7.524  -0.532  10.295
  450    HA   ASP  58           HA       ASP  58   6.399   1.724  11.514
  451    HB2  ASP  58           1HB      ASP  58   6.786   0.732  13.556
  452    HB3  ASP  58           2HB      ASP  58   6.503  -0.590  12.433
  453    H    ARG  59           H        ARG  59   9.605   1.561  10.390
  454    HA   ARG  59           HA       ARG  59  10.827   3.242  12.446
  455    HB2  ARG  59           1HB      ARG  59  11.921   1.383  11.147
  456    HB3  ARG  59           2HB      ARG  59  11.933   2.451   9.734
  457    HG2  ARG  59           1HG      ARG  59  13.390   4.032  10.879
  458    HG3  ARG  59           2HG      ARG  59  13.165   3.182  12.419
  459    HD2  ARG  59           1HD      ARG  59  14.210   1.140  11.357
  460    HD3  ARG  59           2HD      ARG  59  14.598   2.124   9.947
  461    HE   ARG  59           HE       ARG  59  15.598   2.484  12.742
  462   HH11  ARG  59          1HH1      ARG  59  16.104   3.225   9.302
  463   HH12  ARG  59          2HH1      ARG  59  17.669   3.920   9.602
  464   HH21  ARG  59          1HH2      ARG  59  17.626   3.388  13.032
  465   HH22  ARG  59          2HH2      ARG  59  18.510   4.016  11.675
  466    H    TYR  60           H        TYR  60   8.995   3.862   9.565
  467    HA   TYR  60           HA       TYR  60  10.114   6.649   9.336
  468    HB2  TYR  60           1HB      TYR  60   9.241   4.760   7.127
  469    HB3  TYR  60           2HB      TYR  60   9.933   6.349   6.903
  470    HD1  TYR  60           1HD      TYR  60  12.335   6.498   8.464
  471    HD2  TYR  60           2HD      TYR  60  10.639   3.012   6.573
  472    HE1  TYR  60           1HE      TYR  60  14.572   5.418   8.446
  473    HE2  TYR  60           2HE      TYR  60  12.871   1.932   6.549
  474    HH   TYR  60           HH       TYR  60  15.100   2.143   7.064
  475    H    TRP  61           H        TRP  61   7.285   4.770   8.159
  476    HA   TRP  61           HA       TRP  61   5.829   7.330   7.819
  477    HB2  TRP  61           1HB      TRP  61   5.189   4.572   6.822
  478    HB3  TRP  61           2HB      TRP  61   4.545   6.065   6.198
  479    HD1  TRP  61           HD       TRP  61   6.986   3.509   5.481
  480    HE1  TRP  61           1HE      TRP  61   8.753   4.238   3.769
  481    HE3  TRP  61           3HE      TRP  61   6.020   8.543   5.399
  482    HZ2  TRP  61           2HZ      TRP  61   9.513   6.656   2.393
  483    HZ3  TRP  61           3HZ      TRP  61   7.181  10.006   3.781
  484    HH2  TRP  61           HH       TRP  61   8.943   9.086   2.284
  485    H    CYS  62           H        CYS  62   5.100   4.042   9.079
  486    HA   CYS  62           HA       CYS  62   2.951   5.163  10.811
  487    HB2  CYS  62           1HB      CYS  62   2.360   2.723  11.116
  488    HB3  CYS  62           2HB      CYS  62   2.077   3.393   9.529
  489    H    SER  63           H        SER  63   2.850   4.316  13.022
  490    HA   SER  63           HA       SER  63   5.522   3.872  14.300
  491    HB2  SER  63           1HB      SER  63   4.142   5.938  14.867
  492    HB3  SER  63           2HB      SER  63   2.942   4.855  15.576
  493    HG   SER  63           HG       SER  63   4.432   5.567  17.163
  494    H    LYS  64           H        LYS  64   5.891   2.098  15.539
  495    HA   LYS  64           HA       LYS  64   3.979  -0.112  15.548
  496    HB2  LYS  64           1HB      LYS  64   5.812  -1.307  16.759
  497    HB3  LYS  64           2HB      LYS  64   6.265  -0.690  15.188
  498    HG2  LYS  64           1HG      LYS  64   7.566   1.085  16.111
  499    HG3  LYS  64           2HG      LYS  64   6.820   0.932  17.711
  500    HD2  LYS  64           1HD      LYS  64   7.902  -1.146  18.150
  501    HD3  LYS  64           2HD      LYS  64   8.510  -1.267  16.473
  502    HE2  LYS  64           1HE      LYS  64   9.817   0.812  16.805
  503    HE3  LYS  64           2HE      LYS  64   9.234   0.923  18.473
  504    HZ1  LYS  64           3HZ      LYS  64  11.433  -0.101  18.370
  505    HZ2  LYS  64           1HZ      LYS  64  10.356  -1.196  18.928
  506    HZ3  LYS  64           2HZ      LYS  64  10.895  -1.288  17.384
  507    H    GLY  65           H        GLY  65   4.436   2.454  17.744
  508    HA2  GLY  65           1HA      GLY  65   4.084   0.983  20.239
  509    HA3  GLY  65           2HA      GLY  65   4.079   2.736  20.023
  510    H    ALA  66           H        ALA  66   2.341   2.434  21.725
  511    HA   ALA  66           HA       ALA  66  -0.227   1.317  20.915
  512    HB1  ALA  66           1HB      ALA  66   0.608   1.245  23.243
  513    HB2  ALA  66           2HB      ALA  66   0.543   3.025  23.322
  514    HB3  ALA  66           3HB      ALA  66  -0.951   2.082  23.129
  515    H    SER  67           H        SER  67   1.207   4.244  20.117
  516    HA   SER  67           HA       SER  67  -1.390   5.531  19.424
  517    HB2  SER  67           1HB      SER  67   0.957   6.851  20.841
  518    HB3  SER  67           2HB      SER  67  -0.410   7.722  20.132
  519    HG   SER  67           HG       SER  67  -0.680   7.338  22.398
  520    HA   PRO  68           HA       PRO  68   0.830   6.368  15.574
  521    HB2  PRO  68           1HB      PRO  68  -0.564   8.499  14.585
  522    HB3  PRO  68           2HB      PRO  68  -1.269   6.854  14.670
  523    HG2  PRO  68           1HG      PRO  68  -1.625   9.127  16.645
  524    HG3  PRO  68           2HG      PRO  68  -2.893   8.111  15.883
  525    HD2  PRO  68           1HD      PRO  68  -1.921   7.567  18.361
  526    HD3  PRO  68           2HD      PRO  68  -2.344   6.250  17.225
  527    H    GLY  69           H        GLY  69   2.287   8.009  14.649
  528    HA2  GLY  69           1HA      GLY  69   2.904  10.535  15.577
  529    HA3  GLY  69           2HA      GLY  69   3.648   9.507  16.791
  530    H    LYS  70           H        LYS  70   3.422   9.110  13.263
  531    HA   LYS  70           HA       LYS  70   6.354   9.488  12.901
  532    HB2  LYS  70           1HB      LYS  70   4.667   7.069  12.213
  533    HB3  LYS  70           2HB      LYS  70   6.063   7.450  11.218
  534    HG2  LYS  70           1HG      LYS  70   6.373   7.287  14.237
  535    HG3  LYS  70           2HG      LYS  70   6.353   5.834  13.265
  536    HD2  LYS  70           1HD      LYS  70   8.218   6.606  11.910
  537    HD3  LYS  70           2HD      LYS  70   8.266   8.145  12.809
  538    HE2  LYS  70           1HE      LYS  70   8.653   6.806  14.921
  539    HE3  LYS  70           2HE      LYS  70   8.758   5.345  13.928
  540    HZ1  LYS  70           3HZ      LYS  70  10.954   6.261  14.392
  541    HZ2  LYS  70           1HZ      LYS  70  10.670   6.356  12.782
  542    HZ3  LYS  70           2HZ      LYS  70  10.565   7.696  13.719
  543    H    ASP  71           H        ASP  71   6.552   9.242  10.165
  544    HA   ASP  71           HA       ASP  71   5.885  11.856   9.475
  545    HB2  ASP  71           1HB      ASP  71   7.686  10.489   8.476
  546    HB3  ASP  71           2HB      ASP  71   6.479   9.555   7.586
  547    H    CYS  72           H        CYS  72   3.855   9.028   8.949
  548    HA   CYS  72           HA       CYS  72   1.881  10.654   7.392
  549    HB2  CYS  72           1HB      CYS  72   2.138   7.666   7.724
  550    HB3  CYS  72           2HB      CYS  72   0.977   8.516   6.703
  551    H    ASN  73           H        ASN  73   2.374  10.235  10.554
  552    HA   ASN  73           HA       ASN  73   1.131  10.313  12.417
  553    HB2  ASN  73           1HB      ASN  73   0.588  12.428  11.193
  554    HB3  ASN  73           2HB      ASN  73  -0.884  11.669  10.586
  555   HD21  ASN  73          2HD2      ASN  73  -2.203  13.275  11.669
  556   HD22  ASN  73          1HD2      ASN  73  -2.402  13.235  13.413
  557    H    VAL  74           H        VAL  74   1.034   7.830  11.610
  558    HA   VAL  74           HA       VAL  74  -1.633   6.808  12.323
  559    HB   VAL  74           HB       VAL  74  -1.628   7.166   9.860
  560   HG11  VAL  74          1HG1      VAL  74   0.776   6.715   9.405
  561   HG12  VAL  74          2HG1      VAL  74   0.506   4.996   9.759
  562   HG13  VAL  74          3HG1      VAL  74  -0.304   5.754   8.380
  563   HG21  VAL  74          3HG2      VAL  74  -2.605   5.065   9.271
  564   HG22  VAL  74          1HG2      VAL  74  -1.761   4.221  10.580
  565   HG23  VAL  74          2HG2      VAL  74  -3.022   5.420  10.955
  566    H    LYS  75           H        LYS  75  -1.655   4.623  12.895
  567    HA   LYS  75           HA       LYS  75   0.891   3.649  14.085
  568    HB2  LYS  75           1HB      LYS  75  -1.166   4.412  15.366
  569    HB3  LYS  75           2HB      LYS  75  -1.993   2.963  14.770
  570    HG2  LYS  75           1HG      LYS  75  -0.276   1.563  15.948
  571    HG3  LYS  75           2HG      LYS  75   0.560   3.054  16.436
  572    HD2  LYS  75           1HD      LYS  75  -0.728   2.458  18.310
  573    HD3  LYS  75           2HD      LYS  75  -1.606   3.788  17.563
  574    HE2  LYS  75           1HE      LYS  75  -3.048   1.937  16.444
  575    HE3  LYS  75           2HE      LYS  75  -2.235   0.818  17.560
  576    HZ1  LYS  75           3HZ      LYS  75  -4.278   1.564  18.541
  577    HZ2  LYS  75           1HZ      LYS  75  -3.062   2.260  19.398
  578    HZ3  LYS  75           2HZ      LYS  75  -3.919   3.138  18.316
  579    H    CYS  76           H        CYS  76   1.708   1.643  13.588
  580    HA   CYS  76           HA       CYS  76   1.161   0.223  11.252
  581    HB2  CYS  76           1HB      CYS  76   2.282  -0.829  13.882
  582    HB3  CYS  76           2HB      CYS  76   2.462  -1.591  12.307
  583    H    SER  77           H        SER  77  -0.298  -0.393  14.468
  584    HA   SER  77           HA       SER  77  -1.654  -2.829  13.686
  585    HB2  SER  77           1HB      SER  77  -1.027  -2.110  16.024
  586    HB3  SER  77           2HB      SER  77  -2.378  -0.962  15.965
  587    HG   SER  77           HG       SER  77  -2.942  -3.001  16.933
  588    H    ASP  78           H        ASP  78  -2.597   0.603  13.413
  589    HA   ASP  78           HA       ASP  78  -5.381   0.070  12.734
  590    HB2  ASP  78           1HB      ASP  78  -3.551   2.463  12.801
  591    HB3  ASP  78           2HB      ASP  78  -4.915   2.523  11.716
  592    H    LEU  79           H        LEU  79  -2.385  -0.324  11.048
  593    HA   LEU  79           HA       LEU  79  -3.615  -0.096   8.379
  594    HB2  LEU  79           1HB      LEU  79  -0.955  -1.396   9.014
  595    HB3  LEU  79           2HB      LEU  79  -1.530  -0.702   7.502
  596    HG   LEU  79           HG       LEU  79  -0.668   0.820   9.980
  597   HD11  LEU  79          1HD1      LEU  79   1.157  -0.053   8.625
  598   HD12  LEU  79          2HD1      LEU  79   0.415   0.584   7.144
  599   HD13  LEU  79          3HD1      LEU  79   1.039   1.697   8.375
  600   HD21  LEU  79          3HD2      LEU  79  -1.025   2.880   8.610
  601   HD22  LEU  79          1HD2      LEU  79  -1.843   1.882   7.395
  602   HD23  LEU  79          2HD2      LEU  79  -2.541   2.068   9.017
  603    H    LEU  80           H        LEU  80  -3.551  -2.466  10.842
  604    HA   LEU  80           HA       LEU  80  -3.928  -4.753   9.005
  605    HB2  LEU  80           1HB      LEU  80  -3.818  -4.720  12.033
  606    HB3  LEU  80           2HB      LEU  80  -3.753  -6.133  10.988
  607    HG   LEU  80           HG       LEU  80  -1.626  -3.976  11.209
  608   HD11  LEU  80          1HD1      LEU  80  -1.793  -5.466  13.173
  609   HD12  LEU  80          2HD1      LEU  80  -1.674  -6.889  12.116
  610   HD13  LEU  80          3HD1      LEU  80  -0.300  -5.780  12.278
  611   HD21  LEU  80          3HD2      LEU  80  -0.214  -5.493   9.820
  612   HD22  LEU  80          1HD2      LEU  80  -1.637  -6.510   9.519
  613   HD23  LEU  80          2HD2      LEU  80  -1.587  -4.829   8.934
  614    H    THR  81           H        THR  81  -5.953  -2.438   9.889
  615    HA   THR  81           HA       THR  81  -8.206  -3.964  10.964
  616    HB   THR  81           HB       THR  81  -7.595  -1.649  11.636
  617    HG1  THR  81           1HG      THR  81  -9.761  -1.106  11.837
  618   HG21  THR  81          3HG2      THR  81  -8.060   0.235  10.358
  619   HG22  THR  81          1HG2      THR  81  -7.313  -0.834   9.169
  620   HG23  THR  81          2HG2      THR  81  -9.077  -0.653   9.190
  621    H    ASP  82           H        ASP  82 -10.390  -3.179   9.824
  622    HA   ASP  82           HA       ASP  82 -10.360  -4.843   7.373
  623    HB2  ASP  82           1HB      ASP  82 -12.695  -3.923   9.087
  624    HB3  ASP  82           2HB      ASP  82 -12.748  -5.149   7.818
  625    H    ASP  83           H        ASP  83  -9.932  -1.743   7.633
  626    HA   ASP  83           HA       ASP  83 -11.088  -1.219   4.962
  627    HB2  ASP  83           1HB      ASP  83 -12.510  -0.014   6.652
  628    HB3  ASP  83           2HB      ASP  83 -11.085   0.902   7.143
  629    H    ILE  84           H        ILE  84  -9.534  -0.663   3.634
  630    HA   ILE  84           HA       ILE  84  -6.789  -0.706   4.472
  631    HB   ILE  84           HB       ILE  84  -6.248  -0.613   2.160
  632   HG12  ILE  84          1HG1      ILE  84  -9.085   0.360   1.583
  633   HG13  ILE  84          2HG1      ILE  84  -7.636   1.361   1.586
  634   HG21  ILE  84          1HG2      ILE  84  -7.513  -2.672   2.991
  635   HG22  ILE  84          2HG2      ILE  84  -8.959  -2.016   2.228
  636   HG23  ILE  84          3HG2      ILE  84  -7.558  -2.441   1.242
  637   HD11  ILE  84          3HD1      ILE  84  -8.224   0.851  -0.665
  638   HD12  ILE  84          1HD1      ILE  84  -6.669   0.079  -0.251
  639   HD13  ILE  84          2HD1      ILE  84  -8.164  -0.893  -0.354
  640    H    THR  85           H        THR  85  -8.959   1.918   4.408
  641    HA   THR  85           HA       THR  85  -7.570   4.018   3.271
  642    HB   THR  85           HB       THR  85  -9.893   4.072   3.941
  643    HG1  THR  85           1HG      THR  85  -9.834   6.257   4.508
  644   HG21  THR  85          3HG2      THR  85 -10.607   4.641   6.162
  645   HG22  THR  85          1HG2      THR  85  -9.631   3.170   6.280
  646   HG23  THR  85          2HG2      THR  85  -8.933   4.737   6.751
  647    H    LYS  86           H        LYS  86  -7.057   2.875   6.610
  648    HA   LYS  86           HA       LYS  86  -5.343   5.029   7.405
  649    HB2  LYS  86           1HB      LYS  86  -5.276   2.116   8.288
  650    HB3  LYS  86           2HB      LYS  86  -4.583   3.478   9.162
  651    HG2  LYS  86           1HG      LYS  86  -7.547   2.937   8.696
  652    HG3  LYS  86           2HG      LYS  86  -6.660   2.765  10.203
  653    HD2  LYS  86           1HD      LYS  86  -6.190   5.267  10.144
  654    HD3  LYS  86           2HD      LYS  86  -7.235   5.357   8.720
  655    HE2  LYS  86           1HE      LYS  86  -8.715   5.919  10.408
  656    HE3  LYS  86           2HE      LYS  86  -9.047   4.203  10.167
  657    HZ1  LYS  86           3HZ      LYS  86  -8.862   4.726  12.513
  658    HZ2  LYS  86           1HZ      LYS  86  -7.593   3.770  12.145
  659    HZ3  LYS  86           2HZ      LYS  86  -7.380   5.378  12.332
  660    H    ALA  87           H        ALA  87  -4.682   2.179   5.452
  661    HA   ALA  87           HA       ALA  87  -1.762   2.729   5.347
  662    HB1  ALA  87           1HB      ALA  87  -2.750   0.379   5.557
  663    HB2  ALA  87           2HB      ALA  87  -3.381   0.578   3.906
  664    HB3  ALA  87           3HB      ALA  87  -1.628   0.623   4.215
  665    H    ALA  88           H        ALA  88  -4.663   2.854   3.268
  666    HA   ALA  88           HA       ALA  88  -3.302   3.520   0.870
  667    HB1  ALA  88           1HB      ALA  88  -5.616   2.528   1.174
  668    HB2  ALA  88           2HB      ALA  88  -6.187   4.162   1.602
  669    HB3  ALA  88           3HB      ALA  88  -5.509   3.831  -0.002
  670    H    LYS  89           H        LYS  89  -4.776   5.736   3.312
  671    HA   LYS  89           HA       LYS  89  -4.077   8.143   1.833
  672    HB2  LYS  89           1HB      LYS  89  -4.632   7.645   4.779
  673    HB3  LYS  89           2HB      LYS  89  -4.478   9.241   4.047
  674    HG2  LYS  89           1HG      LYS  89  -6.635   7.191   3.360
  675    HG3  LYS  89           2HG      LYS  89  -6.826   8.598   4.406
  676    HD2  LYS  89           1HD      LYS  89  -6.247  10.070   2.440
  677    HD3  LYS  89           2HD      LYS  89  -6.247   8.615   1.411
  678    HE2  LYS  89           1HE      LYS  89  -8.590   8.140   2.090
  679    HE3  LYS  89           2HE      LYS  89  -8.591   9.590   3.102
  680    HZ1  LYS  89           3HZ      LYS  89  -9.597  10.056   0.964
  681    HZ2  LYS  89           1HZ      LYS  89  -8.206  10.906   1.073
  682    HZ3  LYS  89           2HZ      LYS  89  -8.268   9.547   0.150
  683    H    CYS  90           H        CYS  90  -2.340   6.144   4.154
  684    HA   CYS  90           HA       CYS  90  -0.025   7.897   4.440
  685    HB2  CYS  90           1HB      CYS  90  -0.588   6.319   6.137
  686    HB3  CYS  90           2HB      CYS  90  -0.559   4.962   5.007
  687    H    ALA  91           H        ALA  91  -0.865   5.209   2.222
  688    HA   ALA  91           HA       ALA  91   1.543   5.187   0.734
  689    HB1  ALA  91           1HB      ALA  91  -0.272   3.487   0.640
  690    HB2  ALA  91           2HB      ALA  91  -1.284   4.640  -0.244
  691    HB3  ALA  91           3HB      ALA  91   0.223   4.060  -0.967
  692    H    LYS  92           H        LYS  92  -1.387   7.331   0.217
  693    HA   LYS  92           HA       LYS  92  -0.226   8.778  -1.928
  694    HB2  LYS  92           1HB      LYS  92  -1.934  10.102   0.183
  695    HB3  LYS  92           2HB      LYS  92  -1.764  10.525  -1.514
  696    HG2  LYS  92           1HG      LYS  92  -3.241   8.222  -0.274
  697    HG3  LYS  92           2HG      LYS  92  -3.930   9.559  -1.145
  698    HD2  LYS  92           1HD      LYS  92  -2.173   7.434  -2.485
  699    HD3  LYS  92           2HD      LYS  92  -3.898   7.306  -2.241
  700    HE2  LYS  92           1HE      LYS  92  -3.651   8.015  -4.445
  701    HE3  LYS  92           2HE      LYS  92  -4.301   9.374  -3.527
  702    HZ1  LYS  92           3HZ      LYS  92  -2.553  10.061  -5.061
  703    HZ2  LYS  92           1HZ      LYS  92  -2.071  10.353  -3.534
  704    HZ3  LYS  92           2HZ      LYS  92  -1.462   9.067  -4.364
  705    H    LYS  93           H        LYS  93   0.171   9.339   1.594
  706    HA   LYS  93           HA       LYS  93   1.811  11.679   1.330
  707    HB2  LYS  93           1HB      LYS  93   0.548  11.054   3.358
  708    HB3  LYS  93           2HB      LYS  93   1.583   9.651   3.584
  709    HG2  LYS  93           1HG      LYS  93   2.175  11.432   5.119
  710    HG3  LYS  93           2HG      LYS  93   3.520  11.088   4.036
  711    HD2  LYS  93           1HD      LYS  93   3.040  13.120   2.732
  712    HD3  LYS  93           2HD      LYS  93   1.546  13.378   3.648
  713    HE2  LYS  93           1HE      LYS  93   3.165  14.889   4.531
  714    HE3  LYS  93           2HE      LYS  93   2.907  13.631   5.743
  715    HZ1  LYS  93           3HZ      LYS  93   5.264  14.163   5.410
  716    HZ2  LYS  93           1HZ      LYS  93   4.991  12.602   5.066
  717    HZ3  LYS  93           2HZ      LYS  93   5.194  13.684   3.848
  718    H    ILE  94           H        ILE  94   2.659   8.266   1.130
  719    HA   ILE  94           HA       ILE  94   5.561   8.764   0.976
  720    HB   ILE  94           HB       ILE  94   3.855   6.369   0.170
  721   HG12  ILE  94          1HG1      ILE  94   5.772   6.645   2.506
  722   HG13  ILE  94          2HG1      ILE  94   4.069   7.012   2.682
  723   HG21  ILE  94          1HG2      ILE  94   5.896   6.398  -1.174
  724   HG22  ILE  94          2HG2      ILE  94   6.880   6.757   0.259
  725   HG23  ILE  94          3HG2      ILE  94   6.076   5.177   0.081
  726   HD11  ILE  94          3HD1      ILE  94   4.442   4.782   3.475
  727   HD12  ILE  94          1HD1      ILE  94   3.492   4.686   1.982
  728   HD13  ILE  94          2HD1      ILE  94   5.229   4.295   1.967
  729    H    TYR  95           H        TYR  95   2.970   8.180  -1.435
  730    HA   TYR  95           HA       TYR  95   4.510   8.372  -3.752
  731    HB2  TYR  95           1HB      TYR  95   2.470   7.475  -4.076
  732    HB3  TYR  95           2HB      TYR  95   1.643   8.605  -3.027
  733    HD1  TYR  95           2HD      TYR  95   1.271  11.031  -3.851
  734    HD2  TYR  95           1HD      TYR  95   2.146   7.672  -6.409
  735    HE1  TYR  95           2HE      TYR  95   0.288  12.248  -5.782
  736    HE2  TYR  95           1HE      TYR  95   1.176   8.891  -8.345
  737    HH   TYR  95           HH       TYR  95  -0.202  12.190  -8.033
  738    H    LYS  96           H        LYS  96   3.410  11.024  -1.761
  739    HA   LYS  96           HA       LYS  96   3.938  13.269  -3.415
  740    HB2  LYS  96           1HB      LYS  96   4.262  12.664  -0.455
  741    HB3  LYS  96           2HB      LYS  96   4.633  14.258  -1.073
  742    HG2  LYS  96           1HG      LYS  96   1.912  12.906  -1.307
  743    HG3  LYS  96           2HG      LYS  96   2.356  14.088  -0.087
  744    HD2  LYS  96           1HD      LYS  96   2.174  14.594  -3.090
  745    HD3  LYS  96           2HD      LYS  96   1.008  15.081  -1.861
  746    HE2  LYS  96           1HE      LYS  96   2.761  16.487  -0.762
  747    HE3  LYS  96           2HE      LYS  96   3.897  16.055  -2.047
  748    HZ1  LYS  96           3HZ      LYS  96   2.825  18.178  -2.493
  749    HZ2  LYS  96           1HZ      LYS  96   2.386  17.105  -3.642
  750    HZ3  LYS  96           2HZ      LYS  96   1.339  17.506  -2.451
  751    H    ARG  97           H        ARG  97   6.262  11.067  -1.957
  752    HA   ARG  97           HA       ARG  97   8.542  12.736  -2.982
  753    HB2  ARG  97           1HB      ARG  97   8.505  10.691  -0.725
  754    HB3  ARG  97           2HB      ARG  97   9.922  11.570  -1.293
  755    HG2  ARG  97           1HG      ARG  97   7.469  12.797   0.047
  756    HG3  ARG  97           2HG      ARG  97   9.050  12.522   0.780
  757    HD2  ARG  97           1HD      ARG  97  10.078  14.084  -0.876
  758    HD3  ARG  97           2HD      ARG  97   8.459  14.416  -1.531
  759    HE   ARG  97           HE       ARG  97   8.479  14.840   1.301
  760   HH11  ARG  97          1HH1      ARG  97   9.635  16.410  -1.653
  761   HH12  ARG  97          2HH1      ARG  97   9.601  17.992  -0.934
  762   HH21  ARG  97          1HH2      ARG  97   8.460  16.911   2.167
  763   HH22  ARG  97          2HH2      ARG  97   8.945  18.268   1.196
  764    H    HIS  98           H        HIS  98   7.180   9.469  -2.786
  765    HA   HIS  98           HA       HIS  98   8.868   8.571  -5.086
  766    HB2  HIS  98           1HB      HIS  98   8.490   7.153  -2.420
  767    HB3  HIS  98           2HB      HIS  98   9.286   6.464  -3.834
  768    HD2  HIS  98           2HD      HIS  98   9.984   8.447  -0.757
  769    HE1  HIS  98           1HE      HIS  98  13.479   8.896  -3.146
  770    HE2  HIS  98           2HE      HIS  98  12.488   9.257  -0.827
  771    H    ARG  99           H        ARG  99   6.982   8.750  -6.406
  772    HA   ARG  99           HA       ARG  99   4.417   8.025  -5.854
  773    HB2  ARG  99           1HB      ARG  99   3.922   7.961  -8.130
  774    HB3  ARG  99           2HB      ARG  99   4.911   9.339  -7.646
  775    HG2  ARG  99           1HG      ARG  99   6.925   8.227  -8.641
  776    HG3  ARG  99           2HG      ARG  99   5.887   6.860  -9.149
  777    HD2  ARG  99           1HD      ARG  99   4.402   8.442 -10.299
  778    HD3  ARG  99           2HD      ARG  99   5.462   9.780  -9.831
  779    HE   ARG  99           HE       ARG  99   7.074   7.891 -11.185
  780   HH11  ARG  99          1HH1      ARG  99   4.394  10.025 -12.068
  781   HH12  ARG  99          2HH1      ARG  99   4.901  10.125 -13.727
  782   HH21  ARG  99          1HH2      ARG  99   7.674   8.065 -13.339
  783   HH22  ARG  99          2HH2      ARG  99   6.734   9.033 -14.432
  784    H    PHE 100           H        PHE 100   6.831   5.793  -7.184
  785    HA   PHE 100           HA       PHE 100   5.275   3.492  -6.121
  786    HB2  PHE 100           1HB      PHE 100   6.502   3.557  -8.895
  787    HB3  PHE 100           2HB      PHE 100   5.687   2.205  -8.115
  788    HD1  PHE 100           1HD      PHE 100   3.204   2.696  -7.275
  789    HD2  PHE 100           2HD      PHE 100   5.225   4.796 -10.453
  790    HE1  PHE 100           1HE      PHE 100   1.023   3.340  -8.235
  791    HE2  PHE 100           2HE      PHE 100   3.032   5.454 -11.407
  792    HZ   PHE 100           HZ       PHE 100   0.925   4.726 -10.301
  793    H    ASP 101           H        ASP 101   8.305   5.075  -6.452
  794    HA   ASP 101           HA       ASP 101  10.034   2.803  -6.580
  795    HB2  ASP 101           1HB      ASP 101  10.537   5.070  -7.446
  796    HB3  ASP 101           2HB      ASP 101  10.590   5.689  -5.794
  797    H    ALA 102           H        ALA 102   8.360   4.083  -3.882
  798    HA   ALA 102           HA       ALA 102  10.247   3.271  -1.811
  799    HB1  ALA 102           1HB      ALA 102   8.621   5.066  -1.431
  800    HB2  ALA 102           2HB      ALA 102   7.274   3.939  -1.721
  801    HB3  ALA 102           3HB      ALA 102   8.327   3.731  -0.309
  802    H    TRP 103           H        TRP 103   8.415   1.444  -3.935
  803    HA   TRP 103           HA       TRP 103   8.292  -0.916  -2.097
  804    HB2  TRP 103           1HB      TRP 103   6.379  -0.087  -4.313
  805    HB3  TRP 103           2HB      TRP 103   6.285  -1.584  -3.395
  806    HD1  TRP 103           HD       TRP 103   5.618  -1.413  -0.807
  807    HE1  TRP 103           1HE      TRP 103   4.163   0.231   0.464
  808    HE3  TRP 103           3HE      TRP 103   5.771   2.492  -4.106
  809    HZ2  TRP 103           2HZ      TRP 103   3.085   2.908   0.064
  810    HZ3  TRP 103           3HZ      TRP 103   4.521   4.580  -3.643
  811    HH2  TRP 103           HH       TRP 103   3.138   4.786  -1.584
  812    H    TYR 104           H        TYR 104   8.793  -2.905  -2.892
  813    HA   TYR 104           HA       TYR 104  10.867  -2.736  -4.952
  814    HB2  TYR 104           1HB      TYR 104  11.174  -3.743  -2.671
  815    HB3  TYR 104           2HB      TYR 104  10.095  -5.051  -3.144
  816    HD1  TYR 104           2HD      TYR 104  13.150  -3.217  -4.318
  817    HD2  TYR 104           1HD      TYR 104  11.097  -6.994  -4.070
  818    HE1  TYR 104           2HE      TYR 104  15.114  -4.350  -5.375
  819    HE2  TYR 104           1HE      TYR 104  13.061  -8.139  -5.087
  820    HH   TYR 104           HH       TYR 104  15.170  -7.891  -5.977
  821    H    GLY 105           H        GLY 105   7.776  -4.504  -4.539
  822    HA2  GLY 105           1HA      GLY 105   8.019  -6.275  -6.747
  823    HA3  GLY 105           2HA      GLY 105   6.491  -5.666  -6.063
  824    H    TRP 106           H        TRP 106   6.958  -2.877  -6.685
  825    HA   TRP 106           HA       TRP 106   5.840  -2.796  -9.275
  826    HB2  TRP 106           1HB      TRP 106   5.439  -1.089  -7.636
  827    HB3  TRP 106           2HB      TRP 106   7.127  -0.576  -7.692
  828    HD1  TRP 106           HD       TRP 106   3.950  -0.650  -9.867
  829    HE1  TRP 106           1HE      TRP 106   4.185   1.004 -11.815
  830    HE3  TRP 106           3HE      TRP 106   8.785   0.816  -9.078
  831    HZ2  TRP 106           2HZ      TRP 106   6.201   2.821 -12.838
  832    HZ3  TRP 106           3HZ      TRP 106   9.856   2.476 -10.563
  833    HH2  TRP 106           HH       TRP 106   8.575   3.496 -12.445
  834    H    LYS 107           H        LYS 107   9.209  -2.269  -8.247
  835    HA   LYS 107           HA       LYS 107  10.074  -1.863 -11.056
  836    HB2  LYS 107           1HB      LYS 107  12.280  -1.287  -9.970
  837    HB3  LYS 107           2HB      LYS 107  10.922  -0.193  -9.750
  838    HG2  LYS 107           1HG      LYS 107  10.531  -1.016  -7.487
  839    HG3  LYS 107           2HG      LYS 107  11.846  -2.207  -7.655
  840    HD2  LYS 107           1HD      LYS 107  13.485  -0.403  -7.869
  841    HD3  LYS 107           2HD      LYS 107  12.190   0.812  -7.936
  842    HE2  LYS 107           1HE      LYS 107  11.468   0.163  -5.644
  843    HE3  LYS 107           2HE      LYS 107  12.818  -0.981  -5.545
  844    HZ1  LYS 107           3HZ      LYS 107  13.281   1.224  -4.535
  845    HZ2  LYS 107           1HZ      LYS 107  14.343   0.881  -5.743
  846    HZ3  LYS 107           2HZ      LYS 107  13.113   1.938  -5.996
  847    H    ASN 108           H        ASN 108  10.092  -4.451  -8.735
  848    HA   ASN 108           HA       ASN 108  12.164  -5.929 -10.220
  849    HB2  ASN 108           1HB      ASN 108  12.010  -5.874  -7.712
  850    HB3  ASN 108           2HB      ASN 108  10.506  -6.789  -7.829
  851   HD21  ASN 108          2HD2      ASN 108  11.124  -8.791  -6.981
  852   HD22  ASN 108          1HD2      ASN 108  12.468  -9.734  -7.606
  853    H    HIS 109           H        HIS 109   8.646  -5.834 -10.176
  854    HA   HIS 109           HA       HIS 109   8.573  -8.078 -12.170
  855    HB2  HIS 109           1HB      HIS 109   6.855  -7.733  -9.685
  856    HB3  HIS 109           2HB      HIS 109   6.427  -8.787 -11.028
  857    HD2  HIS 109           2HD      HIS 109   8.528  -8.718  -7.918
  858    HE1  HIS 109           1HE      HIS 109   9.562 -12.328  -9.928
  859    HE2  HIS 109           2HE      HIS 109   9.782 -11.036  -7.749
  860    H    CYS 110           H        CYS 110   6.649  -5.301 -10.860
  861    HA   CYS 110           HA       CYS 110   4.661  -5.524 -12.887
  862    HB2  CYS 110           1HB      CYS 110   5.287  -3.023 -11.310
  863    HB3  CYS 110           2HB      CYS 110   3.764  -3.478 -12.033
  864    H    GLN 111           H        GLN 111   7.788  -4.342 -13.390
  865    HA   GLN 111           HA       GLN 111   7.206  -2.393 -15.483
  866    HB2  GLN 111           1HB      GLN 111   9.725  -4.046 -15.000
  867    HB3  GLN 111           2HB      GLN 111   9.594  -2.625 -16.029
  868    HG2  GLN 111           1HG      GLN 111   9.314  -2.694 -13.004
  869    HG3  GLN 111           2HG      GLN 111  10.681  -2.077 -13.911
  870   HE21  GLN 111          2HE2      GLN 111   7.862  -1.111 -12.312
  871   HE22  GLN 111          1HE2      GLN 111   7.748   0.483 -13.046
  872    H    GLY 112           H        GLY 112   7.287  -5.919 -15.404
  873    HA2  GLY 112           1HA      GLY 112   7.866  -6.259 -18.243
  874    HA3  GLY 112           2HA      GLY 112   7.358  -7.510 -17.083
  875    H    SER 113           H        SER 113   4.917  -6.233 -16.285
  876    HA   SER 113           HA       SER 113   3.125  -5.588 -18.426
  877    HB2  SER 113           1HB      SER 113   3.288  -8.480 -17.516
  878    HB3  SER 113           2HB      SER 113   1.735  -7.770 -17.960
  879    HG   SER 113           HG       SER 113   4.024  -7.734 -19.657
  880    H    LEU 114           H        LEU 114   1.145  -4.884 -17.606
  881    HA   LEU 114           HA       LEU 114   0.679  -5.122 -14.670
  882    HB2  LEU 114           1HB      LEU 114  -0.204  -3.010 -16.684
  883    HB3  LEU 114           2HB      LEU 114  -0.695  -3.061 -14.996
  884    HG   LEU 114           HG       LEU 114   2.187  -2.716 -15.931
  885   HD11  LEU 114          1HD1      LEU 114   0.715  -0.821 -16.535
  886   HD12  LEU 114          2HD1      LEU 114   0.215  -0.671 -14.832
  887   HD13  LEU 114          3HD1      LEU 114   1.906  -0.379 -15.303
  888   HD21  LEU 114          3HD2      LEU 114   2.560  -2.013 -13.552
  889   HD22  LEU 114          1HD2      LEU 114   0.905  -2.528 -13.164
  890   HD23  LEU 114          2HD2      LEU 114   2.110  -3.717 -13.696
  891    HA   PRO 115           HA       PRO 115  -3.016  -7.412 -15.671
  892    HB2  PRO 115           1HB      PRO 115  -4.581  -6.960 -13.493
  893    HB3  PRO 115           2HB      PRO 115  -3.078  -7.938 -13.403
  894    HG2  PRO 115           1HG      PRO 115  -3.448  -5.004 -12.705
  895    HG3  PRO 115           2HG      PRO 115  -2.648  -6.281 -11.730
  896    HD2  PRO 115           1HD      PRO 115  -1.234  -4.585 -13.330
  897    HD3  PRO 115           2HD      PRO 115  -0.761  -6.306 -13.143
  898    H    ASP 116           H        ASP 116  -5.165  -7.121 -16.403
  899    HA   ASP 116           HA       ASP 116  -5.967  -4.395 -17.128
  900    HB2  ASP 116           1HB      ASP 116  -6.241  -6.234 -18.721
  901    HB3  ASP 116           2HB      ASP 116  -7.296  -7.083 -17.585
  902    H    ILE 117           H        ILE 117  -7.790  -3.407 -16.520
  903    HA   ILE 117           HA       ILE 117  -9.257  -4.233 -14.038
  904    HB   ILE 117           HB       ILE 117  -9.164  -1.890 -13.270
  905   HG12  ILE 117          1HG1      ILE 117  -7.088  -1.412 -15.461
  906   HG13  ILE 117          2HG1      ILE 117  -8.773  -0.907 -15.587
  907   HG21  ILE 117          1HG2      ILE 117  -7.549  -3.585 -12.427
  908   HG22  ILE 117          2HG2      ILE 117  -6.370  -3.052 -13.641
  909   HG23  ILE 117          3HG2      ILE 117  -6.909  -1.940 -12.366
  910   HD11  ILE 117          3HD1      ILE 117  -7.457   0.955 -14.898
  911   HD12  ILE 117          1HD1      ILE 117  -8.501   0.469 -13.542
  912   HD13  ILE 117          2HD1      ILE 117  -6.766   0.033 -13.548
  913    H    SER 118           H        SER 118  -9.565  -3.478 -17.253
  914    HA   SER 118           HA       SER 118 -11.618  -1.562 -17.369
  915    HB2  SER 118           1HB      SER 118 -11.193  -3.868 -19.303
  916    HB3  SER 118           2HB      SER 118 -12.011  -2.336 -19.633
  917    HG   SER 118           HG       SER 118  -9.252  -2.851 -19.206
  918    H    SER 119           H        SER 119 -11.996  -4.877 -16.366
  919    HA   SER 119           HA       SER 119 -14.898  -4.979 -16.776
  920    HB2  SER 119           1HB      SER 119 -13.028  -6.767 -15.179
  921    HB3  SER 119           2HB      SER 119 -14.712  -7.112 -15.593
  922    HG   SER 119           HG       SER 119 -13.246  -8.142 -17.041
  923    H    CYS 120           H        CYS 120 -12.995  -3.331 -14.507
  924    HA   CYS 120           HA       CYS 120 -14.770  -3.794 -12.183
  925    HB2  CYS 120           1HB      CYS 120 -12.185  -2.237 -12.422
  926    HB3  CYS 120           2HB      CYS 120 -13.017  -2.669 -10.933
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  -9.444  -7.355  10.239
    2    H2   GLY   1           2H       GLY   1  -8.361  -8.557  10.543
    3    H3   GLY   1           3H       GLY   1  -7.941  -6.987  10.810
    4    HA2  GLY   1           1HA      GLY   1  -8.132  -6.482   8.478
    5    HA3  GLY   1           2HA      GLY   1  -6.907  -7.718   8.794
    6    H    LYS   2           H        LYS   2  -7.955  -7.449   6.308
    7    HA   LYS   2           HA       LYS   2  -9.427  -9.930   5.779
    8    HB2  LYS   2           1HB      LYS   2 -11.309  -8.846   4.702
    9    HB3  LYS   2           2HB      LYS   2 -11.207  -8.306   6.378
   10    HG2  LYS   2           1HG      LYS   2 -10.129  -6.190   5.652
   11    HG3  LYS   2           2HG      LYS   2 -10.200  -6.720   3.970
   12    HD2  LYS   2           1HD      LYS   2 -12.642  -6.297   5.734
   13    HD3  LYS   2           2HD      LYS   2 -11.972  -5.097   4.618
   14    HE2  LYS   2           1HE      LYS   2 -12.295  -6.657   2.714
   15    HE3  LYS   2           2HE      LYS   2 -13.016  -7.846   3.810
   16    HZ1  LYS   2           3HZ      LYS   2 -14.714  -6.531   2.689
   17    HZ2  LYS   2           1HZ      LYS   2 -14.773  -6.238   4.295
   18    HZ3  LYS   2           2HZ      LYS   2 -14.108  -5.135   3.286
   19    H    THR   3           H        THR   3  -9.713 -10.359   3.492
   20    HA   THR   3           HA       THR   3  -7.540  -9.203   1.802
   21    HB   THR   3           HB       THR   3  -8.881 -11.876   1.338
   22    HG1  THR   3           1HG      THR   3  -6.783 -11.201   3.114
   23   HG21  THR   3          3HG2      THR   3  -6.664 -12.348   0.257
   24   HG22  THR   3          1HG2      THR   3  -7.551 -11.031  -0.525
   25   HG23  THR   3          2HG2      THR   3  -6.195 -10.659   0.555
   26    H    PHE   4           H        PHE   4  -7.957  -8.366  -0.106
   27    HA   PHE   4           HA       PHE   4 -10.784  -8.071  -1.015
   28    HB2  PHE   4           1HB      PHE   4  -8.278  -6.420  -1.505
   29    HB3  PHE   4           2HB      PHE   4  -9.792  -6.113  -2.309
   30    HD1  PHE   4           1HD      PHE   4  -8.202  -6.230   1.099
   31    HD2  PHE   4           2HD      PHE   4 -11.469  -4.737  -1.299
   32    HE1  PHE   4           1HE      PHE   4  -8.987  -4.860   3.002
   33    HE2  PHE   4           2HE      PHE   4 -12.252  -3.390   0.615
   34    HZ   PHE   4           HZ       PHE   4 -11.026  -3.454   2.779
   35    H    THR   5           H        THR   5 -11.215  -8.155  -3.238
   36    HA   THR   5           HA       THR   5  -9.440  -9.878  -4.927
   37    HB   THR   5           HB       THR   5 -11.763 -10.668  -4.642
   38    HG1  THR   5           1HG      THR   5 -11.932 -11.065  -6.846
   39   HG21  THR   5          3HG2      THR   5 -13.605  -9.585  -5.774
   40   HG22  THR   5          1HG2      THR   5 -12.938  -8.423  -4.618
   41   HG23  THR   5          2HG2      THR   5 -12.566  -8.273  -6.355
   42    H    ARG   6           H        ARG   6  -9.252  -9.106  -7.268
   43    HA   ARG   6           HA       ARG   6  -8.048  -6.544  -7.231
   44    HB2  ARG   6           1HB      ARG   6  -7.525  -8.360  -8.841
   45    HB3  ARG   6           2HB      ARG   6  -9.031  -8.019  -9.704
   46    HG2  ARG   6           1HG      ARG   6  -8.265  -5.712 -10.171
   47    HG3  ARG   6           2HG      ARG   6  -6.796  -5.978  -9.220
   48    HD2  ARG   6           1HD      ARG   6  -7.562  -7.508 -11.737
   49    HD3  ARG   6           2HD      ARG   6  -6.463  -6.124 -11.685
   50    HE   ARG   6           HE       ARG   6  -5.206  -7.657  -9.909
   51   HH11  ARG   6          1HH1      ARG   6  -6.676  -8.897 -12.895
   52   HH12  ARG   6          2HH1      ARG   6  -5.485 -10.156 -13.039
   53   HH21  ARG   6          1HH2      ARG   6  -3.644  -9.121 -10.260
   54   HH22  ARG   6          2HH2      ARG   6  -3.795 -10.311 -11.536
   55    H    CYS   7           H        CYS   7 -11.272  -7.424  -8.587
   56    HA   CYS   7           HA       CYS   7 -12.044  -4.795  -9.372
   57    HB2  CYS   7           1HB      CYS   7 -13.817  -7.057  -8.376
   58    HB3  CYS   7           2HB      CYS   7 -14.335  -5.660  -9.314
   59    H    GLY   8           H        GLY   8 -12.333  -6.372  -6.191
   60    HA2  GLY   8           1HA      GLY   8 -13.842  -4.264  -4.907
   61    HA3  GLY   8           2HA      GLY   8 -12.899  -5.545  -4.102
   62    H    LEU   9           H        LEU   9 -10.322  -5.043  -4.991
   63    HA   LEU   9           HA       LEU   9  -9.426  -2.798  -3.489
   64    HB2  LEU   9           1HB      LEU   9  -8.136  -4.877  -3.963
   65    HB3  LEU   9           2HB      LEU   9  -8.070  -4.452  -5.675
   66    HG   LEU   9           HG       LEU   9  -6.792  -2.407  -5.124
   67   HD11  LEU   9          1HD1      LEU   9  -7.564  -1.886  -2.892
   68   HD12  LEU   9          2HD1      LEU   9  -7.007  -3.454  -2.281
   69   HD13  LEU   9          3HD1      LEU   9  -5.829  -2.209  -2.790
   70   HD21  LEU   9          3HD2      LEU   9  -4.698  -3.494  -4.627
   71   HD22  LEU   9          1HD2      LEU   9  -5.531  -4.875  -3.877
   72   HD23  LEU   9          2HD2      LEU   9  -5.657  -4.591  -5.629
   73    H    VAL  10           H        VAL  10  -9.674  -3.178  -7.074
   74    HA   VAL  10           HA       VAL  10  -8.848  -0.596  -7.827
   75    HB   VAL  10           HB       VAL  10 -10.955  -2.430  -9.030
   76   HG11  VAL  10          1HG1      VAL  10 -11.678  -0.303  -9.825
   77   HG12  VAL  10          2HG1      VAL  10 -10.024   0.265 -10.071
   78   HG13  VAL  10          3HG1      VAL  10 -10.702  -0.982 -11.128
   79   HG21  VAL  10          3HG2      VAL  10  -9.266  -2.813 -10.757
   80   HG22  VAL  10          1HG2      VAL  10  -8.169  -1.649  -9.991
   81   HG23  VAL  10          2HG2      VAL  10  -8.574  -3.163  -9.175
   82    H    HIS  11           H        HIS  11 -12.107  -1.627  -6.795
   83    HA   HIS  11           HA       HIS  11 -13.343   0.979  -6.977
   84    HB2  HIS  11           1HB      HIS  11 -14.080  -1.538  -5.443
   85    HB3  HIS  11           2HB      HIS  11 -15.074  -0.098  -5.488
   86    HD2  HIS  11           2HD      HIS  11 -13.658  -0.536  -8.923
   87    HE1  HIS  11           1HE      HIS  11 -17.400  -2.566  -8.992
   88    HE2  HIS  11           2HE      HIS  11 -15.524  -1.652 -10.429
   89    H    GLU  12           H        GLU  12 -11.919  -0.757  -4.188
   90    HA   GLU  12           HA       GLU  12 -12.573   1.142  -2.177
   91    HB2  GLU  12           1HB      GLU  12 -11.563  -1.338  -2.153
   92    HB3  GLU  12           2HB      GLU  12 -10.036  -0.496  -2.064
   93    HG2  GLU  12           1HG      GLU  12 -10.853  -1.156   0.130
   94    HG3  GLU  12           2HG      GLU  12 -10.773   0.611   0.004
   95    H    LEU  13           H        LEU  13  -9.723   0.914  -4.309
   96    HA   LEU  13           HA       LEU  13  -8.410   3.267  -3.202
   97    HB2  LEU  13           1HB      LEU  13  -8.073   1.783  -5.817
   98    HB3  LEU  13           2HB      LEU  13  -6.928   2.960  -5.182
   99    HG   LEU  13           HG       LEU  13  -7.622   0.345  -3.842
  100   HD11  LEU  13          1HD1      LEU  13  -6.448   0.013  -5.953
  101   HD12  LEU  13          2HD1      LEU  13  -5.208   1.202  -5.477
  102   HD13  LEU  13          3HD1      LEU  13  -5.354  -0.340  -4.598
  103   HD21  LEU  13          3HD2      LEU  13  -5.682   0.753  -2.426
  104   HD22  LEU  13          1HD2      LEU  13  -5.448   2.358  -3.183
  105   HD23  LEU  13          2HD2      LEU  13  -6.894   2.017  -2.202
  106    H    ARG  14           H        ARG  14 -10.436   2.737  -6.109
  107    HA   ARG  14           HA       ARG  14 -10.409   5.415  -7.108
  108    HB2  ARG  14           1HB      ARG  14 -12.522   3.246  -7.168
  109    HB3  ARG  14           2HB      ARG  14 -12.829   4.838  -7.858
  110    HG2  ARG  14           1HG      ARG  14 -11.075   4.626  -9.473
  111    HG3  ARG  14           2HG      ARG  14 -10.464   3.144  -8.716
  112    HD2  ARG  14           1HD      ARG  14 -12.521   1.957  -9.222
  113    HD3  ARG  14           2HD      ARG  14 -13.243   3.426  -9.921
  114    HE   ARG  14           HE       ARG  14 -10.860   2.945 -11.317
  115   HH11  ARG  14          1HH1      ARG  14 -13.999   1.352 -10.925
  116   HH12  ARG  14          2HH1      ARG  14 -13.809   0.406 -12.386
  117   HH21  ARG  14          1HH2      ARG  14 -10.752   1.719 -13.272
  118   HH22  ARG  14          2HH2      ARG  14 -12.049   0.617 -13.651
  119    H    LYS  15           H        LYS  15 -12.447   3.978  -4.536
  120    HA   LYS  15           HA       LYS  15 -13.934   6.313  -3.798
  121    HB2  LYS  15           1HB      LYS  15 -14.684   4.081  -3.328
  122    HB3  LYS  15           2HB      LYS  15 -13.151   3.649  -2.584
  123    HG2  LYS  15           1HG      LYS  15 -13.644   5.232  -0.714
  124    HG3  LYS  15           2HG      LYS  15 -15.272   5.453  -1.399
  125    HD2  LYS  15           1HD      LYS  15 -15.729   3.051  -1.140
  126    HD3  LYS  15           2HD      LYS  15 -14.036   2.747  -0.711
  127    HE2  LYS  15           1HE      LYS  15 -14.351   4.243   1.302
  128    HE3  LYS  15           2HE      LYS  15 -16.086   4.256   0.957
  129    HZ1  LYS  15           3HZ      LYS  15 -15.394   2.494   2.553
  130    HZ2  LYS  15           1HZ      LYS  15 -16.099   1.853   1.221
  131    HZ3  LYS  15           2HZ      LYS  15 -14.473   1.788   1.388
  132    H    HIS  16           H        HIS  16 -10.851   4.931  -2.545
  133    HA   HIS  16           HA       HIS  16 -10.552   7.003  -0.556
  134    HB2  HIS  16           1HB      HIS  16  -8.746   4.741  -1.492
  135    HB3  HIS  16           2HB      HIS  16  -8.353   5.832  -0.164
  136    HD2  HIS  16           2HD      HIS  16  -8.402   3.131   0.875
  137    HE1  HIS  16           1HE      HIS  16 -12.462   3.491   2.017
  138    HE2  HIS  16           2HE      HIS  16 -10.357   2.180   2.392
  139    H    GLY  17           H        GLY  17  -9.855   7.211  -3.848
  140    HA2  GLY  17           1HA      GLY  17  -9.329   9.357  -4.752
  141    HA3  GLY  17           2HA      GLY  17  -8.328   9.740  -3.336
  142    H    PHE  18           H        PHE  18  -8.225   6.808  -5.391
  143    HA   PHE  18           HA       PHE  18  -5.457   7.490  -6.287
  144    HB2  PHE  18           1HB      PHE  18  -6.985   4.903  -6.099
  145    HB3  PHE  18           2HB      PHE  18  -5.430   5.052  -6.893
  146    HD1  PHE  18           2HD      PHE  18  -6.998   5.848  -3.513
  147    HD2  PHE  18           1HD      PHE  18  -3.545   4.472  -5.682
  148    HE1  PHE  18           2HE      PHE  18  -5.808   5.532  -1.402
  149    HE2  PHE  18           1HE      PHE  18  -2.358   4.080  -3.541
  150    HZ   PHE  18           HZ       PHE  18  -3.478   4.607  -1.393
  151    H    GLU  19           H        GLU  19  -5.030   7.675  -8.484
  152    HA   GLU  19           HA       GLU  19  -7.299   8.386 -10.145
  153    HB2  GLU  19           1HB      GLU  19  -4.375   8.197 -10.913
  154    HB3  GLU  19           2HB      GLU  19  -5.643   9.042 -11.794
  155    HG2  GLU  19           1HG      GLU  19  -4.558   9.798  -9.056
  156    HG3  GLU  19           2HG      GLU  19  -4.171  10.562 -10.591
  157    H    GLU  20           H        GLU  20  -8.101   7.421 -11.952
  158    HA   GLU  20           HA       GLU  20  -8.065   4.660 -12.326
  159    HB2  GLU  20           1HB      GLU  20  -9.294   4.984 -14.282
  160    HB3  GLU  20           2HB      GLU  20  -9.798   6.195 -13.118
  161    HG2  GLU  20           1HG      GLU  20  -8.045   6.622 -15.578
  162    HG3  GLU  20           2HG      GLU  20  -9.712   7.111 -15.338
  163    H    ASN  21           H        ASN  21  -5.991   7.069 -13.987
  164    HA   ASN  21           HA       ASN  21  -4.792   5.108 -15.733
  165    HB2  ASN  21           1HB      ASN  21  -3.448   6.868 -16.544
  166    HB3  ASN  21           2HB      ASN  21  -5.034   7.557 -16.224
  167   HD21  ASN  21          2HD2      ASN  21  -5.269   8.957 -14.277
  168   HD22  ASN  21          1HD2      ASN  21  -3.827   9.749 -13.644
  169    H    LEU  22           H        LEU  22  -4.214   5.819 -12.436
  170    HA   LEU  22           HA       LEU  22  -1.491   4.572 -12.456
  171    HB2  LEU  22           1HB      LEU  22  -2.994   5.973 -10.214
  172    HB3  LEU  22           2HB      LEU  22  -1.326   5.408 -10.174
  173    HG   LEU  22           HG       LEU  22  -2.426   7.682 -11.862
  174   HD11  LEU  22          1HD1      LEU  22  -2.200   8.180  -9.456
  175   HD12  LEU  22          2HD1      LEU  22  -0.505   7.643  -9.499
  176   HD13  LEU  22          3HD1      LEU  22  -1.012   9.087 -10.408
  177   HD21  LEU  22          3HD2      LEU  22  -0.101   8.159 -12.510
  178   HD22  LEU  22          1HD2      LEU  22   0.441   6.665 -11.711
  179   HD23  LEU  22          2HD2      LEU  22  -0.634   6.598 -13.131
  180    H    MET  23           H        MET  23  -4.814   3.957 -11.638
  181    HA   MET  23           HA       MET  23  -4.780   2.176  -9.601
  182    HB2  MET  23           1HB      MET  23  -6.702   3.123 -11.041
  183    HB3  MET  23           2HB      MET  23  -6.476   1.744 -12.081
  184    HG2  MET  23           1HG      MET  23  -8.302   1.368 -10.466
  185    HG3  MET  23           2HG      MET  23  -7.001   0.212 -10.204
  186    HE1  MET  23           3HE      MET  23  -8.095   3.857  -7.643
  187    HE2  MET  23           1HE      MET  23  -6.799   4.085  -8.842
  188    HE3  MET  23           2HE      MET  23  -8.421   3.600  -9.361
  189    H    ARG  24           H        ARG  24  -4.168   1.188 -13.010
  190    HA   ARG  24           HA       ARG  24  -3.808  -1.558 -12.611
  191    HB2  ARG  24           1HB      ARG  24  -2.204   0.213 -14.522
  192    HB3  ARG  24           2HB      ARG  24  -2.418  -1.536 -14.626
  193    HG2  ARG  24           1HG      ARG  24  -4.885  -1.170 -14.929
  194    HG3  ARG  24           2HG      ARG  24  -4.567   0.577 -14.956
  195    HD2  ARG  24           1HD      ARG  24  -4.752  -0.128 -17.218
  196    HD3  ARG  24           2HD      ARG  24  -3.044   0.233 -16.911
  197    HE   ARG  24           HE       ARG  24  -3.652  -2.563 -16.456
  198   HH11  ARG  24          1HH1      ARG  24  -3.171  -0.323 -19.156
  199   HH12  ARG  24          2HH1      ARG  24  -2.652  -1.588 -20.229
  200   HH21  ARG  24          1HH2      ARG  24  -2.877  -4.134 -17.871
  201   HH22  ARG  24          2HH2      ARG  24  -2.522  -3.712 -19.515
  202    H    ASN  25           H        ASN  25  -1.314   1.018 -12.308
  203    HA   ASN  25           HA       ASN  25   0.855  -0.762 -11.564
  204    HB2  ASN  25           1HB      ASN  25   0.428   2.240 -11.312
  205    HB3  ASN  25           2HB      ASN  25   1.845   1.426 -10.661
  206   HD21  ASN  25          2HD2      ASN  25   0.384   2.641 -13.599
  207   HD22  ASN  25          1HD2      ASN  25   1.703   2.147 -14.642
  208    H    TRP  26           H        TRP  26  -1.467   1.248  -9.649
  209    HA   TRP  26           HA       TRP  26  -0.356   0.613  -7.114
  210    HB2  TRP  26           1HB      TRP  26  -3.081   1.572  -8.028
  211    HB3  TRP  26           2HB      TRP  26  -2.753   1.213  -6.343
  212    HD1  TRP  26           HD       TRP  26  -2.664   4.041  -8.610
  213    HE1  TRP  26           1HE      TRP  26  -1.421   6.025  -7.564
  214    HE3  TRP  26           3HE      TRP  26  -0.212   1.570  -4.853
  215    HZ2  TRP  26           2HZ      TRP  26   0.210   6.519  -5.228
  216    HZ3  TRP  26           3HZ      TRP  26   1.164   2.824  -3.222
  217    HH2  TRP  26           HH       TRP  26   1.363   5.298  -3.381
  218    H    VAL  27           H        VAL  27  -3.141  -1.019  -8.793
  219    HA   VAL  27           HA       VAL  27  -3.368  -2.921  -6.643
  220    HB   VAL  27           HB       VAL  27  -4.840  -4.241  -7.890
  221   HG11  VAL  27          1HG1      VAL  27  -5.556  -1.941  -7.089
  222   HG12  VAL  27          2HG1      VAL  27  -5.454  -1.409  -8.780
  223   HG13  VAL  27          3HG1      VAL  27  -6.567  -2.704  -8.320
  224   HG21  VAL  27          3HG2      VAL  27  -5.375  -3.874 -10.288
  225   HG22  VAL  27          1HG2      VAL  27  -3.971  -2.790 -10.413
  226   HG23  VAL  27          2HG2      VAL  27  -3.748  -4.510 -10.017
  227    H    CYS  28           H        CYS  28  -1.417  -3.026  -9.641
  228    HA   CYS  28           HA       CYS  28  -0.570  -5.757  -9.277
  229    HB2  CYS  28           1HB      CYS  28  -0.610  -4.323 -11.359
  230    HB3  CYS  28           2HB      CYS  28   0.864  -3.553 -10.798
  231    H    LEU  29           H        LEU  29   0.756  -2.677  -8.132
  232    HA   LEU  29           HA       LEU  29   3.111  -3.684  -6.815
  233    HB2  LEU  29           1HB      LEU  29   2.738  -1.366  -7.440
  234    HB3  LEU  29           2HB      LEU  29   1.334  -1.228  -6.410
  235    HG   LEU  29           HG       LEU  29   4.153  -1.662  -5.341
  236   HD11  LEU  29          1HD1      LEU  29   3.957   0.455  -6.639
  237   HD12  LEU  29          2HD1      LEU  29   2.525   0.905  -5.690
  238   HD13  LEU  29          3HD1      LEU  29   4.112   0.783  -4.912
  239   HD21  LEU  29          3HD2      LEU  29   3.150  -0.638  -3.253
  240   HD22  LEU  29          1HD2      LEU  29   1.547  -0.792  -3.995
  241   HD23  LEU  29          2HD2      LEU  29   2.520  -2.234  -3.617
  242    H    VAL  30           H        VAL  30  -0.157  -2.891  -5.540
  243    HA   VAL  30           HA       VAL  30   0.276  -3.848  -2.920
  244    HB   VAL  30           HB       VAL  30  -2.224  -3.483  -4.582
  245   HG11  VAL  30          1HG1      VAL  30  -2.871  -5.227  -3.012
  246   HG12  VAL  30          2HG1      VAL  30  -2.129  -4.332  -1.671
  247   HG13  VAL  30          3HG1      VAL  30  -3.564  -3.692  -2.504
  248   HG21  VAL  30          3HG2      VAL  30  -2.563  -1.547  -3.115
  249   HG22  VAL  30          1HG2      VAL  30  -1.154  -2.005  -2.131
  250   HG23  VAL  30          2HG2      VAL  30  -0.934  -1.466  -3.802
  251    H    GLU  31           H        GLU  31  -0.984  -5.675  -5.755
  252    HA   GLU  31           HA       GLU  31  -1.427  -8.139  -4.404
  253    HB2  GLU  31           1HB      GLU  31  -0.750  -7.397  -7.277
  254    HB3  GLU  31           2HB      GLU  31  -0.944  -9.090  -6.797
  255    HG2  GLU  31           1HG      GLU  31  -3.183  -8.771  -6.076
  256    HG3  GLU  31           2HG      GLU  31  -3.079  -7.014  -6.210
  257    H    HIS  32           H        HIS  32   1.658  -6.767  -5.640
  258    HA   HIS  32           HA       HIS  32   3.091  -9.267  -5.089
  259    HB2  HIS  32           1HB      HIS  32   3.504  -7.489  -6.940
  260    HB3  HIS  32           2HB      HIS  32   4.368  -6.595  -5.695
  261    HD2  HIS  32           2HD      HIS  32   4.442  -9.853  -7.734
  262    HE1  HIS  32           1HE      HIS  32   8.285  -9.504  -5.934
  263    HE2  HIS  32           2HE      HIS  32   6.888 -10.831  -7.601
  264    H    GLU  33           H        GLU  33   2.533  -6.204  -3.426
  265    HA   GLU  33           HA       GLU  33   4.596  -6.661  -1.402
  266    HB2  GLU  33           1HB      GLU  33   2.388  -4.597  -1.693
  267    HB3  GLU  33           2HB      GLU  33   3.456  -4.650  -0.302
  268    HG2  GLU  33           1HG      GLU  33   4.348  -4.274  -3.191
  269    HG3  GLU  33           2HG      GLU  33   4.181  -3.003  -1.984
  270    H    SER  34           H        SER  34   0.945  -6.547  -1.164
  271    HA   SER  34           HA       SER  34   1.201  -8.081   1.402
  272    HB2  SER  34           1HB      SER  34  -0.869  -7.030   2.045
  273    HB3  SER  34           2HB      SER  34   0.285  -5.781   1.561
  274    HG   SER  34           HG       SER  34  -1.043  -5.208   0.047
  275    H    SER  35           H        SER  35   0.185  -8.487  -1.798
  276    HA   SER  35           HA       SER  35  -1.148  -9.939  -2.914
  277    HB2  SER  35           1HB      SER  35  -1.808 -11.496  -0.432
  278    HB3  SER  35           2HB      SER  35  -1.767 -12.032  -2.108
  279    HG   SER  35           HG       SER  35   0.551 -11.818  -2.031
  280    H    ARG  36           H        ARG  36  -2.230  -7.520  -1.449
  281    HA   ARG  36           HA       ARG  36  -4.180  -6.427  -1.290
  282    HB2  ARG  36           1HB      ARG  36  -5.811  -8.776  -2.270
  283    HB3  ARG  36           2HB      ARG  36  -6.159  -7.054  -2.369
  284    HG2  ARG  36           1HG      ARG  36  -4.172  -6.879  -3.979
  285    HG3  ARG  36           2HG      ARG  36  -4.143  -8.632  -4.010
  286    HD2  ARG  36           1HD      ARG  36  -6.622  -7.008  -4.711
  287    HD3  ARG  36           2HD      ARG  36  -5.460  -7.580  -5.898
  288    HE   ARG  36           HE       ARG  36  -7.068  -9.331  -4.072
  289   HH11  ARG  36          1HH1      ARG  36  -5.565  -8.984  -7.309
  290   HH12  ARG  36          2HH1      ARG  36  -6.005 -10.615  -7.723
  291   HH21  ARG  36          1HH2      ARG  36  -7.514 -11.387  -4.702
  292   HH22  ARG  36          2HH2      ARG  36  -7.130 -11.927  -6.307
  293    H    ASP  37           H        ASP  37  -3.118  -7.998   0.888
  294    HA   ASP  37           HA       ASP  37  -5.587  -8.622   2.487
  295    HB2  ASP  37           1HB      ASP  37  -4.357 -10.675   1.904
  296    HB3  ASP  37           2HB      ASP  37  -2.877  -9.988   2.563
  297    H    THR  38           H        THR  38  -5.907  -7.194   4.097
  298    HA   THR  38           HA       THR  38  -3.845  -5.294   4.809
  299    HB   THR  38           HB       THR  38  -5.304  -4.487   6.585
  300    HG1  THR  38           1HG      THR  38  -7.262  -5.353   6.916
  301   HG21  THR  38          3HG2      THR  38  -7.214  -3.759   5.229
  302   HG22  THR  38          1HG2      THR  38  -5.691  -3.625   4.342
  303   HG23  THR  38          2HG2      THR  38  -6.816  -4.966   3.991
  304    H    SER  39           H        SER  39  -4.765  -8.406   6.153
  305    HA   SER  39           HA       SER  39  -3.476  -8.075   8.710
  306    HB2  SER  39           1HB      SER  39  -4.299 -10.572   7.185
  307    HB3  SER  39           2HB      SER  39  -3.820 -10.513   8.883
  308    HG   SER  39           HG       SER  39  -6.098 -10.482   8.626
  309    H    LYS  40           H        LYS  40  -1.989  -8.343   5.684
  310    HA   LYS  40           HA       LYS  40   0.018 -10.300   6.317
  311    HB2  LYS  40           1HB      LYS  40  -0.912  -9.624   4.017
  312    HB3  LYS  40           2HB      LYS  40   0.079  -8.185   4.131
  313    HG2  LYS  40           1HG      LYS  40   1.265  -9.789   2.804
  314    HG3  LYS  40           2HG      LYS  40   2.130  -9.631   4.306
  315    HD2  LYS  40           1HD      LYS  40   2.016 -11.969   3.539
  316    HD3  LYS  40           2HD      LYS  40   1.238 -11.775   5.098
  317    HE2  LYS  40           1HE      LYS  40  -0.084 -13.265   3.741
  318    HE3  LYS  40           2HE      LYS  40  -1.001 -11.785   4.012
  319    HZ1  LYS  40           3HZ      LYS  40  -1.085 -12.576   1.697
  320    HZ2  LYS  40           1HZ      LYS  40  -0.455 -11.074   1.768
  321    HZ3  LYS  40           2HZ      LYS  40   0.523 -12.370   1.521
  322    H    THR  41           H        THR  41   2.175 -10.091   6.759
  323    HA   THR  41           HA       THR  41   3.459  -7.487   7.220
  324    HB   THR  41           HB       THR  41   4.401  -8.292   9.413
  325    HG1  THR  41           1HG      THR  41   3.673 -10.501   9.100
  326   HG21  THR  41          3HG2      THR  41   2.628  -7.621  10.850
  327   HG22  THR  41          1HG2      THR  41   2.660  -6.576   9.438
  328   HG23  THR  41          2HG2      THR  41   1.412  -7.844   9.559
  329    H    ASN  42           H        ASN  42   5.678  -7.543   7.390
  330    HA   ASN  42           HA       ASN  42   7.108 -10.077   6.870
  331    HB2  ASN  42           1HB      ASN  42   6.990  -7.692   4.977
  332    HB3  ASN  42           2HB      ASN  42   8.366  -8.778   5.000
  333   HD21  ASN  42          2HD2      ASN  42   5.068  -8.405   3.932
  334   HD22  ASN  42          1HD2      ASN  42   4.996  -9.946   3.082
  335    H    THR  43           H        THR  43   9.024 -10.152   7.930
  336    HA   THR  43           HA       THR  43   9.946  -7.801   9.478
  337    HB   THR  43           HB       THR  43  11.097 -10.615   9.473
  338    HG1  THR  43           1HG      THR  43   9.642 -11.118  11.011
  339   HG21  THR  43          3HG2      THR  43  11.643 -10.013  11.847
  340   HG22  THR  43          1HG2      THR  43  12.468  -8.973  10.685
  341   HG23  THR  43          2HG2      THR  43  11.036  -8.369  11.550
  342    H    ASN  44           H        ASN  44  11.952  -6.854   9.273
  343    HA   ASN  44           HA       ASN  44  13.505  -7.423   6.782
  344    HB2  ASN  44           1HB      ASN  44  13.381  -4.912   8.504
  345    HB3  ASN  44           2HB      ASN  44  14.317  -5.109   7.027
  346   HD21  ASN  44          2HD2      ASN  44  11.052  -4.871   8.336
  347   HD22  ASN  44          1HD2      ASN  44  10.281  -4.398   6.806
  348    H    ARG  45           H        ARG  45  15.817  -7.255   6.872
  349    HA   ARG  45           HA       ARG  45  17.096  -8.675   8.988
  350    HB2  ARG  45           1HB      ARG  45  18.369  -6.882   6.876
  351    HB3  ARG  45           2HB      ARG  45  19.199  -8.098   7.858
  352    HG2  ARG  45           1HG      ARG  45  17.712  -9.861   6.866
  353    HG3  ARG  45           2HG      ARG  45  17.010  -8.622   5.806
  354    HD2  ARG  45           1HD      ARG  45  19.250  -8.167   4.848
  355    HD3  ARG  45           2HD      ARG  45  19.961  -9.408   5.879
  356    HE   ARG  45           HE       ARG  45  18.345  -9.773   3.457
  357   HH11  ARG  45          1HH1      ARG  45  19.578 -11.466   6.313
  358   HH12  ARG  45          2HH1      ARG  45  19.402 -13.028   5.570
  359   HH21  ARG  45          1HH2      ARG  45  18.139 -11.812   2.569
  360   HH22  ARG  45          2HH2      ARG  45  18.595 -13.217   3.483
  361    H    ASN  46           H        ASN  46  16.540  -5.273   8.591
  362    HA   ASN  46           HA       ASN  46  18.342  -4.235  10.573
  363    HB2  ASN  46           1HB      ASN  46  17.347  -2.903   8.770
  364    HB3  ASN  46           2HB      ASN  46  15.727  -3.200   9.397
  365   HD21  ASN  46          2HD2      ASN  46  14.892  -1.656  10.763
  366   HD22  ASN  46          1HD2      ASN  46  15.874  -0.481  11.633
  367    H    GLY  47           H        GLY  47  15.382  -6.031  10.975
  368    HA2  GLY  47           1HA      GLY  47  14.483  -6.800  13.000
  369    HA3  GLY  47           2HA      GLY  47  15.282  -5.484  13.896
  370    H    SER  48           H        SER  48  13.872  -3.979  11.302
  371    HA   SER  48           HA       SER  48  11.385  -3.229  12.716
  372    HB2  SER  48           1HB      SER  48  11.176  -1.669  10.752
  373    HB3  SER  48           2HB      SER  48  12.578  -1.390  11.789
  374    HG   SER  48           HG       SER  48  12.985  -1.382   9.437
  375    H    LYS  49           H        LYS  49   9.336  -3.274  11.523
  376    HA   LYS  49           HA       LYS  49   9.096  -5.600   9.655
  377    HB2  LYS  49           1HB      LYS  49   8.468  -5.922  12.219
  378    HB3  LYS  49           2HB      LYS  49   7.011  -5.067  11.743
  379    HG2  LYS  49           1HG      LYS  49   6.645  -6.855   9.973
  380    HG3  LYS  49           2HG      LYS  49   8.020  -7.717  10.696
  381    HD2  LYS  49           1HD      LYS  49   6.729  -7.501  12.948
  382    HD3  LYS  49           2HD      LYS  49   5.361  -6.975  11.970
  383    HE2  LYS  49           1HE      LYS  49   4.982  -9.267  12.309
  384    HE3  LYS  49           2HE      LYS  49   5.606  -9.173  10.660
  385    HZ1  LYS  49           3HZ      LYS  49   6.656 -10.951  11.933
  386    HZ2  LYS  49           1HZ      LYS  49   7.783  -9.848  11.510
  387    HZ3  LYS  49           2HZ      LYS  49   7.213  -9.897  13.048
  388    H    ASP  50           H        ASP  50   7.373  -5.598   8.296
  389    HA   ASP  50           HA       ASP  50   6.303  -2.947   7.484
  390    HB2  ASP  50           1HB      ASP  50   6.424  -5.591   5.984
  391    HB3  ASP  50           2HB      ASP  50   5.961  -4.030   5.336
  392    H    TYR  51           H        TYR  51   4.104  -2.625   7.289
  393    HA   TYR  51           HA       TYR  51   2.212  -4.800   8.114
  394    HB2  TYR  51           1HB      TYR  51   2.417  -1.933   9.111
  395    HB3  TYR  51           2HB      TYR  51   1.144  -3.061   9.543
  396    HD1  TYR  51           2HD      TYR  51   4.727  -2.219   9.952
  397    HD2  TYR  51           1HD      TYR  51   1.491  -4.749  11.237
  398    HE1  TYR  51           2HE      TYR  51   6.035  -2.871  11.949
  399    HE2  TYR  51           1HE      TYR  51   2.788  -5.402  13.255
  400    HH   TYR  51           HH       TYR  51   4.744  -5.119  14.443
  401    H    GLY  52           H        GLY  52   0.113  -4.719   7.374
  402    HA2  GLY  52           1HA      GLY  52  -1.818  -3.875   6.399
  403    HA3  GLY  52           2HA      GLY  52  -1.018  -2.306   6.224
  404    H    LEU  53           H        LEU  53  -2.520  -2.582   4.273
  405    HA   LEU  53           HA       LEU  53  -1.877  -4.486   2.331
  406    HB2  LEU  53           1HB      LEU  53  -3.941  -2.664   2.729
  407    HB3  LEU  53           2HB      LEU  53  -3.074  -1.849   1.440
  408    HG   LEU  53           HG       LEU  53  -3.150  -4.294   0.311
  409   HD11  LEU  53          1HD1      LEU  53  -4.167  -5.334   2.287
  410   HD12  LEU  53          2HD1      LEU  53  -5.579  -4.260   2.135
  411   HD13  LEU  53          3HD1      LEU  53  -5.250  -5.440   0.877
  412   HD21  LEU  53          3HD2      LEU  53  -5.222  -3.737  -0.789
  413   HD22  LEU  53          1HD2      LEU  53  -5.562  -2.473   0.430
  414   HD23  LEU  53          2HD2      LEU  53  -4.174  -2.301  -0.672
  415    H    PHE  54           H        PHE  54  -0.275  -1.490   2.792
  416    HA   PHE  54           HA       PHE  54   1.178  -1.793   0.196
  417    HB2  PHE  54           1HB      PHE  54   0.958   0.596   2.056
  418    HB3  PHE  54           2HB      PHE  54   1.828   0.558   0.534
  419    HD1  PHE  54           2HD      PHE  54  -1.561   0.407   2.058
  420    HD2  PHE  54           1HD      PHE  54   0.696   0.845  -1.583
  421    HE1  PHE  54           2HE      PHE  54  -3.620   1.080   0.878
  422    HE2  PHE  54           1HE      PHE  54  -1.368   1.568  -2.757
  423    HZ   PHE  54           HZ       PHE  54  -3.529   1.680  -1.542
  424    H    GLN  55           H        GLN  55   1.538  -3.069   3.121
  425    HA   GLN  55           HA       GLN  55   3.202  -3.678   4.504
  426    HB2  GLN  55           1HB      GLN  55   4.630  -3.775   1.816
  427    HB3  GLN  55           2HB      GLN  55   5.310  -4.463   3.281
  428    HG2  GLN  55           1HG      GLN  55   2.693  -5.320   1.994
  429    HG3  GLN  55           2HG      GLN  55   4.239  -6.173   1.961
  430   HE21  GLN  55          2HE2      GLN  55   1.343  -5.554   3.907
  431   HE22  GLN  55          1HE2      GLN  55   1.858  -6.517   5.263
  432    H    ILE  56           H        ILE  56   2.921  -1.353   5.238
  433    HA   ILE  56           HA       ILE  56   5.121   0.504   4.654
  434    HB   ILE  56           HB       ILE  56   2.793   0.882   6.588
  435   HG12  ILE  56          1HG1      ILE  56   2.983   1.451   3.582
  436   HG13  ILE  56          2HG1      ILE  56   1.869   0.297   4.343
  437   HG21  ILE  56          1HG2      ILE  56   4.700   2.438   6.761
  438   HG22  ILE  56          2HG2      ILE  56   4.480   2.884   5.052
  439   HG23  ILE  56          3HG2      ILE  56   3.217   3.233   6.260
  440   HD11  ILE  56          3HD1      ILE  56   0.528   2.123   3.786
  441   HD12  ILE  56          1HD1      ILE  56   0.812   2.317   5.527
  442   HD13  ILE  56          2HD1      ILE  56   1.720   3.296   4.342
  443    H    ASN  57           H        ASN  57   6.810   0.985   6.006
  444    HA   ASN  57           HA       ASN  57   7.269  -0.986   8.118
  445    HB2  ASN  57           1HB      ASN  57   8.852  -0.596   6.254
  446    HB3  ASN  57           2HB      ASN  57   9.147   1.035   6.881
  447   HD21  ASN  57          2HD2      ASN  57   9.757  -2.393   7.332
  448   HD22  ASN  57          1HD2      ASN  57  10.957  -2.187   8.611
  449    H    ASP  58           H        ASP  58   7.612  -0.646  10.201
  450    HA   ASP  58           HA       ASP  58   6.515   1.581  11.486
  451    HB2  ASP  58           1HB      ASP  58   6.965   0.557  13.499
  452    HB3  ASP  58           2HB      ASP  58   6.664  -0.745  12.360
  453    H    ARG  59           H        ARG  59   9.647   1.490  10.222
  454    HA   ARG  59           HA       ARG  59  10.941   3.175  12.234
  455    HB2  ARG  59           1HB      ARG  59  11.957   1.260  10.957
  456    HB3  ARG  59           2HB      ARG  59  11.915   2.264   9.501
  457    HG2  ARG  59           1HG      ARG  59  13.503   3.842  10.488
  458    HG3  ARG  59           2HG      ARG  59  13.391   3.010  12.050
  459    HD2  ARG  59           1HD      ARG  59  14.189   0.902  10.812
  460    HD3  ARG  59           2HD      ARG  59  14.538   1.952   9.437
  461    HE   ARG  59           HE       ARG  59  15.697   2.543  12.122
  462   HH11  ARG  59          1HH1      ARG  59  16.365   1.567   8.781
  463   HH12  ARG  59          2HH1      ARG  59  18.085   1.662   9.008
  464   HH21  ARG  59          1HH2      ARG  59  17.921   2.719  12.311
  465   HH22  ARG  59          2HH2      ARG  59  18.947   2.326  10.966
  466    H    TYR  60           H        TYR  60   9.040   3.807   9.419
  467    HA   TYR  60           HA       TYR  60  10.229   6.561   9.119
  468    HB2  TYR  60           1HB      TYR  60   9.396   4.628   6.934
  469    HB3  TYR  60           2HB      TYR  60  10.043   6.236   6.689
  470    HD1  TYR  60           2HD      TYR  60  12.431   6.555   8.138
  471    HD2  TYR  60           1HD      TYR  60  10.865   2.869   6.539
  472    HE1  TYR  60           2HE      TYR  60  14.728   5.622   8.050
  473    HE2  TYR  60           1HE      TYR  60  13.162   1.923   6.468
  474    HH   TYR  60           HH       TYR  60  16.039   3.829   7.464
  475    H    TRP  61           H        TRP  61   7.307   4.637   8.246
  476    HA   TRP  61           HA       TRP  61   5.865   7.234   7.818
  477    HB2  TRP  61           1HB      TRP  61   5.307   4.536   6.656
  478    HB3  TRP  61           2HB      TRP  61   4.633   6.059   6.125
  479    HD1  TRP  61           HD       TRP  61   7.058   3.576   5.213
  480    HE1  TRP  61           1HE      TRP  61   8.729   4.405   3.453
  481    HE3  TRP  61           3HE      TRP  61   6.072   8.600   5.462
  482    HZ2  TRP  61           2HZ      TRP  61   9.398   6.897   2.167
  483    HZ3  TRP  61           3HZ      TRP  61   7.109  10.153   3.838
  484    HH2  TRP  61           HH       TRP  61   8.794   9.323   2.204
  485    H    CYS  62           H        CYS  62   5.317   3.900   9.115
  486    HA   CYS  62           HA       CYS  62   3.137   5.042  10.815
  487    HB2  CYS  62           1HB      CYS  62   2.457   2.636  11.119
  488    HB3  CYS  62           2HB      CYS  62   2.165   3.318   9.534
  489    H    SER  63           H        SER  63   2.973   4.082  12.995
  490    HA   SER  63           HA       SER  63   5.662   3.581  14.223
  491    HB2  SER  63           1HB      SER  63   4.198   5.743  14.646
  492    HB3  SER  63           2HB      SER  63   3.299   4.678  15.725
  493    HG   SER  63           HG       SER  63   4.971   5.555  16.934
  494    H    LYS  64           H        LYS  64   5.940   1.921  15.604
  495    HA   LYS  64           HA       LYS  64   3.911  -0.204  15.587
  496    HB2  LYS  64           1HB      LYS  64   5.694  -1.602  16.550
  497    HB3  LYS  64           2HB      LYS  64   6.094  -0.897  14.997
  498    HG2  LYS  64           1HG      LYS  64   7.671   0.578  15.895
  499    HG3  LYS  64           2HG      LYS  64   6.916   0.605  17.492
  500    HD2  LYS  64           1HD      LYS  64   7.672  -1.582  18.036
  501    HD3  LYS  64           2HD      LYS  64   8.323  -1.870  16.402
  502    HE2  LYS  64           1HE      LYS  64   9.170   0.573  17.943
  503    HE3  LYS  64           2HE      LYS  64   9.855  -0.985  18.441
  504    HZ1  LYS  64           3HZ      LYS  64  11.203   0.235  16.736
  505    HZ2  LYS  64           1HZ      LYS  64  10.787  -1.279  16.278
  506    HZ3  LYS  64           2HZ      LYS  64  10.001  -0.008  15.636
  507    H    GLY  65           H        GLY  65   4.611   2.218  17.838
  508    HA2  GLY  65           1HA      GLY  65   4.085   0.705  20.295
  509    HA3  GLY  65           2HA      GLY  65   4.204   2.462  20.126
  510    H    ALA  66           H        ALA  66   2.348   2.139  21.739
  511    HA   ALA  66           HA       ALA  66  -0.223   1.250  20.690
  512    HB1  ALA  66           1HB      ALA  66   0.502   0.859  23.024
  513    HB2  ALA  66           2HB      ALA  66   0.506   2.617  23.317
  514    HB3  ALA  66           3HB      ALA  66  -1.014   1.774  22.950
  515    H    SER  67           H        SER  67   1.309   4.006  19.894
  516    HA   SER  67           HA       SER  67  -1.178   5.541  19.439
  517    HB2  SER  67           1HB      SER  67  -0.257   6.225  21.656
  518    HB3  SER  67           2HB      SER  67   1.257   6.686  20.860
  519    HG   SER  67           HG       SER  67  -0.187   8.473  21.164
  520    HA   PRO  68           HA       PRO  68   1.075   6.279  15.599
  521    HB2  PRO  68           1HB      PRO  68  -0.291   8.427  14.579
  522    HB3  PRO  68           2HB      PRO  68  -0.989   6.778  14.657
  523    HG2  PRO  68           1HG      PRO  68  -1.378   9.048  16.628
  524    HG3  PRO  68           2HG      PRO  68  -2.635   8.036  15.839
  525    HD2  PRO  68           1HD      PRO  68  -1.743   7.464  18.319
  526    HD3  PRO  68           2HD      PRO  68  -2.071   6.150  17.154
  527    H    GLY  69           H        GLY  69   2.471   7.947  14.554
  528    HA2  GLY  69           1HA      GLY  69   3.201  10.440  15.526
  529    HA3  GLY  69           2HA      GLY  69   4.012   9.344  16.627
  530    H    LYS  70           H        LYS  70   3.590  10.113  13.217
  531    HA   LYS  70           HA       LYS  70   6.426   9.914  12.543
  532    HB2  LYS  70           1HB      LYS  70   4.339   8.024  11.362
  533    HB3  LYS  70           2HB      LYS  70   5.892   8.310  10.593
  534    HG2  LYS  70           1HG      LYS  70   5.471   6.976  13.259
  535    HG3  LYS  70           2HG      LYS  70   5.877   6.241  11.716
  536    HD2  LYS  70           1HD      LYS  70   8.027   7.287  11.632
  537    HD3  LYS  70           2HD      LYS  70   7.726   8.193  13.121
  538    HE2  LYS  70           1HE      LYS  70   7.704   5.145  12.974
  539    HE3  LYS  70           2HE      LYS  70   9.159   6.087  13.316
  540    HZ1  LYS  70           3HZ      LYS  70   8.164   5.434  15.377
  541    HZ2  LYS  70           1HZ      LYS  70   7.979   7.054  15.244
  542    HZ3  LYS  70           2HZ      LYS  70   6.708   6.058  14.998
  543    H    ASP  71           H        ASP  71   6.508  10.152   9.986
  544    HA   ASP  71           HA       ASP  71   5.562  12.704   9.225
  545    HB2  ASP  71           1HB      ASP  71   7.516  11.542   8.277
  546    HB3  ASP  71           2HB      ASP  71   6.460  10.337   7.535
  547    H    CYS  72           H        CYS  72   3.967   9.563   8.850
  548    HA   CYS  72           HA       CYS  72   1.697  10.831   7.367
  549    HB2  CYS  72           1HB      CYS  72   2.296   7.903   7.793
  550    HB3  CYS  72           2HB      CYS  72   1.056   8.597   6.763
  551    H    ASN  73           H        ASN  73   2.434  10.360  10.555
  552    HA   ASN  73           HA       ASN  73   1.263  10.260  12.470
  553    HB2  ASN  73           1HB      ASN  73   0.653  12.413  11.317
  554    HB3  ASN  73           2HB      ASN  73  -0.864  11.668  10.809
  555   HD21  ASN  73          2HD2      ASN  73   1.117  12.331  13.779
  556   HD22  ASN  73          1HD2      ASN  73  -0.276  12.598  14.810
  557    H    VAL  74           H        VAL  74   1.188   7.799  11.610
  558    HA   VAL  74           HA       VAL  74  -1.476   6.746  12.312
  559    HB   VAL  74           HB       VAL  74  -1.461   7.150   9.862
  560   HG11  VAL  74          1HG1      VAL  74   0.932   6.721   9.387
  561   HG12  VAL  74          2HG1      VAL  74   0.687   4.995   9.734
  562   HG13  VAL  74          3HG1      VAL  74  -0.137   5.750   8.361
  563   HG21  VAL  74          3HG2      VAL  74  -2.418   5.050   9.224
  564   HG22  VAL  74          1HG2      VAL  74  -1.600   4.199  10.546
  565   HG23  VAL  74          2HG2      VAL  74  -2.870   5.394  10.900
  566    H    LYS  75           H        LYS  75  -1.521   4.587  12.895
  567    HA   LYS  75           HA       LYS  75   0.999   3.579  14.102
  568    HB2  LYS  75           1HB      LYS  75  -1.097   4.337  15.359
  569    HB3  LYS  75           2HB      LYS  75  -1.889   2.886  14.733
  570    HG2  LYS  75           1HG      LYS  75  -0.167   1.494  15.922
  571    HG3  LYS  75           2HG      LYS  75   0.606   2.992  16.483
  572    HD2  LYS  75           1HD      LYS  75  -0.772   2.248  18.287
  573    HD3  LYS  75           2HD      LYS  75  -1.593   3.635  17.572
  574    HE2  LYS  75           1HE      LYS  75  -2.957   1.860  16.227
  575    HE3  LYS  75           2HE      LYS  75  -2.250   0.675  17.343
  576    HZ1  LYS  75           3HZ      LYS  75  -4.401   1.439  18.117
  577    HZ2  LYS  75           1HZ      LYS  75  -3.260   1.941  19.178
  578    HZ3  LYS  75           2HZ      LYS  75  -3.930   2.995  18.116
  579    H    CYS  76           H        CYS  76   1.810   1.565  13.593
  580    HA   CYS  76           HA       CYS  76   1.271   0.160  11.237
  581    HB2  CYS  76           1HB      CYS  76   2.384  -0.908  13.864
  582    HB3  CYS  76           2HB      CYS  76   2.568  -1.661  12.287
  583    H    SER  77           H        SER  77  -0.192  -0.481  14.452
  584    HA   SER  77           HA       SER  77  -1.526  -2.920  13.613
  585    HB2  SER  77           1HB      SER  77  -0.865  -2.279  15.963
  586    HB3  SER  77           2HB      SER  77  -2.230  -1.146  15.969
  587    HG   SER  77           HG       SER  77  -2.753  -3.228  16.869
  588    H    ASP  78           H        ASP  78  -2.452   0.501  13.427
  589    HA   ASP  78           HA       ASP  78  -5.260   0.001  12.789
  590    HB2  ASP  78           1HB      ASP  78  -3.442   2.363  13.006
  591    HB3  ASP  78           2HB      ASP  78  -4.695   2.495  11.808
  592    H    LEU  79           H        LEU  79  -2.331  -0.449  11.062
  593    HA   LEU  79           HA       LEU  79  -3.603  -0.132   8.410
  594    HB2  LEU  79           1HB      LEU  79  -0.933  -1.443   8.972
  595    HB3  LEU  79           2HB      LEU  79  -1.539  -0.724   7.485
  596    HG   LEU  79           HG       LEU  79  -0.612   0.754   9.964
  597   HD11  LEU  79          1HD1      LEU  79   1.173  -0.102   8.544
  598   HD12  LEU  79          2HD1      LEU  79   0.397   0.571   7.098
  599   HD13  LEU  79          3HD1      LEU  79   1.058   1.654   8.337
  600   HD21  LEU  79          3HD2      LEU  79  -0.993   2.838   8.622
  601   HD22  LEU  79          1HD2      LEU  79  -1.873   1.858   7.436
  602   HD23  LEU  79          2HD2      LEU  79  -2.497   2.031   9.089
  603    H    LEU  80           H        LEU  80  -3.483  -2.537  10.841
  604    HA   LEU  80           HA       LEU  80  -3.871  -4.810   8.991
  605    HB2  LEU  80           1HB      LEU  80  -3.743  -4.789  12.020
  606    HB3  LEU  80           2HB      LEU  80  -3.675  -6.198  10.970
  607    HG   LEU  80           HG       LEU  80  -1.557  -4.030  11.178
  608   HD11  LEU  80          1HD1      LEU  80  -1.708  -5.518  13.148
  609   HD12  LEU  80          2HD1      LEU  80  -1.580  -6.941  12.091
  610   HD13  LEU  80          3HD1      LEU  80  -0.216  -5.819  12.248
  611   HD21  LEU  80          3HD2      LEU  80  -0.150  -5.555   9.784
  612   HD22  LEU  80          1HD2      LEU  80  -1.578  -6.566   9.493
  613   HD23  LEU  80          2HD2      LEU  80  -1.525  -4.885   8.909
  614    H    THR  81           H        THR  81  -5.900  -2.518   9.848
  615    HA   THR  81           HA       THR  81  -8.118  -4.044  11.009
  616    HB   THR  81           HB       THR  81  -7.438  -1.764  11.721
  617    HG1  THR  81           1HG      THR  81  -9.565  -1.219  12.082
  618   HG21  THR  81          3HG2      THR  81  -7.955   0.166  10.527
  619   HG22  THR  81          1HG2      THR  81  -7.247  -0.862   9.280
  620   HG23  THR  81          2HG2      THR  81  -9.009  -0.681   9.364
  621    H    ASP  82           H        ASP  82 -10.320  -3.076   9.955
  622    HA   ASP  82           HA       ASP  82 -10.482  -4.733   7.504
  623    HB2  ASP  82           1HB      ASP  82 -12.681  -3.720   9.338
  624    HB3  ASP  82           2HB      ASP  82 -12.858  -4.921   8.057
  625    H    ASP  83           H        ASP  83  -9.851  -1.687   7.712
  626    HA   ASP  83           HA       ASP  83 -11.054  -1.124   5.091
  627    HB2  ASP  83           1HB      ASP  83 -12.479   0.086   6.794
  628    HB3  ASP  83           2HB      ASP  83 -11.058   1.036   7.232
  629    H    ILE  84           H        ILE  84  -9.521  -0.520   3.752
  630    HA   ILE  84           HA       ILE  84  -6.772  -0.585   4.608
  631    HB   ILE  84           HB       ILE  84  -6.220  -0.577   2.297
  632   HG12  ILE  84          1HG1      ILE  84  -9.037   0.424   1.685
  633   HG13  ILE  84          2HG1      ILE  84  -7.563   1.391   1.643
  634   HG21  ILE  84          1HG2      ILE  84  -7.510  -2.588   3.190
  635   HG22  ILE  84          2HG2      ILE  84  -8.948  -1.943   2.400
  636   HG23  ILE  84          3HG2      ILE  84  -7.549  -2.418   1.435
  637   HD11  ILE  84          3HD1      ILE  84  -8.197   0.817  -0.584
  638   HD12  ILE  84          1HD1      ILE  84  -6.652   0.033  -0.168
  639   HD13  ILE  84          2HD1      ILE  84  -8.164  -0.916  -0.215
  640    H    THR  85           H        THR  85  -8.918   2.060   4.494
  641    HA   THR  85           HA       THR  85  -7.433   4.068   3.265
  642    HB   THR  85           HB       THR  85  -9.807   4.178   3.847
  643    HG1  THR  85           1HG      THR  85  -9.727   6.405   4.187
  644   HG21  THR  85          3HG2      THR  85 -10.569   4.981   5.963
  645   HG22  THR  85          1HG2      THR  85  -9.618   3.519   6.261
  646   HG23  THR  85          2HG2      THR  85  -8.910   5.125   6.586
  647    H    LYS  86           H        LYS  86  -6.995   3.008   6.639
  648    HA   LYS  86           HA       LYS  86  -5.264   5.189   7.389
  649    HB2  LYS  86           1HB      LYS  86  -5.451   2.315   8.397
  650    HB3  LYS  86           2HB      LYS  86  -4.357   3.517   9.061
  651    HG2  LYS  86           1HG      LYS  86  -6.093   3.643  10.540
  652    HG3  LYS  86           2HG      LYS  86  -6.418   5.004   9.479
  653    HD2  LYS  86           1HD      LYS  86  -8.137   3.690   8.309
  654    HD3  LYS  86           2HD      LYS  86  -7.756   2.259   9.269
  655    HE2  LYS  86           1HE      LYS  86  -8.655   4.907  10.496
  656    HE3  LYS  86           2HE      LYS  86  -9.811   3.702   9.929
  657    HZ1  LYS  86           3HZ      LYS  86  -9.356   3.473  12.299
  658    HZ2  LYS  86           1HZ      LYS  86  -8.907   2.123  11.505
  659    HZ3  LYS  86           2HZ      LYS  86  -7.775   3.171  12.044
  660    H    ALA  87           H        ALA  87  -4.654   2.272   5.505
  661    HA   ALA  87           HA       ALA  87  -1.730   2.783   5.392
  662    HB1  ALA  87           1HB      ALA  87  -2.732   0.448   5.624
  663    HB2  ALA  87           2HB      ALA  87  -3.378   0.634   3.979
  664    HB3  ALA  87           3HB      ALA  87  -1.620   0.667   4.268
  665    H    ALA  88           H        ALA  88  -4.617   2.910   3.270
  666    HA   ALA  88           HA       ALA  88  -3.203   3.582   0.906
  667    HB1  ALA  88           1HB      ALA  88  -5.551   2.650   1.123
  668    HB2  ALA  88           2HB      ALA  88  -6.087   4.297   1.560
  669    HB3  ALA  88           3HB      ALA  88  -5.362   3.977  -0.021
  670    H    LYS  89           H        LYS  89  -4.713   5.827   3.318
  671    HA   LYS  89           HA       LYS  89  -3.957   8.211   1.843
  672    HB2  LYS  89           1HB      LYS  89  -4.519   7.743   4.791
  673    HB3  LYS  89           2HB      LYS  89  -4.358   9.332   4.041
  674    HG2  LYS  89           1HG      LYS  89  -6.525   7.285   3.387
  675    HG3  LYS  89           2HG      LYS  89  -6.709   8.704   4.416
  676    HD2  LYS  89           1HD      LYS  89  -6.151  10.148   2.421
  677    HD3  LYS  89           2HD      LYS  89  -6.151   8.676   1.417
  678    HE2  LYS  89           1HE      LYS  89  -8.485   8.193   2.154
  679    HE3  LYS  89           2HE      LYS  89  -8.482   9.676   3.115
  680    HZ1  LYS  89           3HZ      LYS  89  -9.528  10.081   0.999
  681    HZ2  LYS  89           1HZ      LYS  89  -8.123  10.916   1.019
  682    HZ3  LYS  89           2HZ      LYS  89  -8.243   9.517   0.161
  683    H    CYS  90           H        CYS  90  -2.240   6.208   4.187
  684    HA   CYS  90           HA       CYS  90   0.093   7.948   4.438
  685    HB2  CYS  90           1HB      CYS  90  -0.477   6.345   6.139
  686    HB3  CYS  90           2HB      CYS  90  -0.397   5.000   4.996
  687    H    ALA  91           H        ALA  91  -0.775   5.211   2.273
  688    HA   ALA  91           HA       ALA  91   1.597   5.223   0.725
  689    HB1  ALA  91           1HB      ALA  91  -0.166   3.465   0.730
  690    HB2  ALA  91           2HB      ALA  91  -1.235   4.559  -0.161
  691    HB3  ALA  91           3HB      ALA  91   0.272   4.008  -0.906
  692    H    LYS  92           H        LYS  92  -1.404   7.289   0.249
  693    HA   LYS  92           HA       LYS  92  -0.328   8.698  -1.979
  694    HB2  LYS  92           1HB      LYS  92  -2.055   9.945   0.184
  695    HB3  LYS  92           2HB      LYS  92  -1.865  10.469  -1.479
  696    HG2  LYS  92           1HG      LYS  92  -3.370   8.072  -0.431
  697    HG3  LYS  92           2HG      LYS  92  -3.999   9.463  -1.234
  698    HD2  LYS  92           1HD      LYS  92  -2.407   7.183  -2.447
  699    HD3  LYS  92           2HD      LYS  92  -4.092   7.573  -2.716
  700    HE2  LYS  92           1HE      LYS  92  -1.719   9.273  -3.628
  701    HE3  LYS  92           2HE      LYS  92  -2.654   8.177  -4.645
  702    HZ1  LYS  92           3HZ      LYS  92  -3.405  10.462  -4.894
  703    HZ2  LYS  92           1HZ      LYS  92  -4.614   9.565  -4.265
  704    HZ3  LYS  92           2HZ      LYS  92  -3.764  10.585  -3.306
  705    H    LYS  93           H        LYS  93   0.123   9.355   1.521
  706    HA   LYS  93           HA       LYS  93   1.737  11.693   1.147
  707    HB2  LYS  93           1HB      LYS  93   0.514  11.103   3.220
  708    HB3  LYS  93           2HB      LYS  93   1.606   9.753   3.489
  709    HG2  LYS  93           1HG      LYS  93   2.136  11.667   4.918
  710    HG3  LYS  93           2HG      LYS  93   3.489  11.279   3.857
  711    HD2  LYS  93           1HD      LYS  93   2.984  13.184   2.413
  712    HD3  LYS  93           2HD      LYS  93   1.448  13.459   3.256
  713    HE2  LYS  93           1HE      LYS  93   2.906  15.113   4.088
  714    HE3  LYS  93           2HE      LYS  93   2.789  13.902   5.370
  715    HZ1  LYS  93           3HZ      LYS  93   5.081  14.600   4.985
  716    HZ2  LYS  93           1HZ      LYS  93   4.934  13.019   4.655
  717    HZ3  LYS  93           2HZ      LYS  93   5.028  14.106   3.425
  718    H    ILE  94           H        ILE  94   2.616   8.305   0.945
  719    HA   ILE  94           HA       ILE  94   5.513   8.866   0.742
  720    HB   ILE  94           HB       ILE  94   3.869   6.392   0.074
  721   HG12  ILE  94          1HG1      ILE  94   5.806   6.829   2.369
  722   HG13  ILE  94          2HG1      ILE  94   4.096   7.142   2.554
  723   HG21  ILE  94          1HG2      ILE  94   5.885   6.434  -1.302
  724   HG22  ILE  94          2HG2      ILE  94   6.878   6.896   0.092
  725   HG23  ILE  94          3HG2      ILE  94   6.139   5.277  -0.001
  726   HD11  ILE  94          3HD1      ILE  94   4.544   4.954   3.424
  727   HD12  ILE  94          1HD1      ILE  94   3.591   4.771   1.943
  728   HD13  ILE  94          2HD1      ILE  94   5.341   4.439   1.929
  729    H    TYR  95           H        TYR  95   2.879   8.135  -1.594
  730    HA   TYR  95           HA       TYR  95   4.360   8.318  -3.961
  731    HB2  TYR  95           1HB      TYR  95   2.334   7.425  -4.294
  732    HB3  TYR  95           2HB      TYR  95   1.516   8.474  -3.156
  733    HD1  TYR  95           2HD      TYR  95   0.976  10.887  -3.817
  734    HD2  TYR  95           1HD      TYR  95   2.034   7.794  -6.627
  735    HE1  TYR  95           2HE      TYR  95  -0.046  12.211  -5.657
  736    HE2  TYR  95           1HE      TYR  95   1.052   9.131  -8.474
  737    HH   TYR  95           HH       TYR  95  -0.041  11.075  -9.061
  738    H    LYS  96           H        LYS  96   3.184  10.955  -1.990
  739    HA   LYS  96           HA       LYS  96   3.705  13.199  -3.651
  740    HB2  LYS  96           1HB      LYS  96   3.822  12.605  -0.679
  741    HB3  LYS  96           2HB      LYS  96   4.217  14.216  -1.257
  742    HG2  LYS  96           1HG      LYS  96   1.558  12.868  -1.890
  743    HG3  LYS  96           2HG      LYS  96   1.833  13.882  -0.470
  744    HD2  LYS  96           1HD      LYS  96   2.452  15.784  -1.949
  745    HD3  LYS  96           2HD      LYS  96   2.124  14.775  -3.376
  746    HE2  LYS  96           1HE      LYS  96  -0.222  14.466  -2.621
  747    HE3  LYS  96           2HE      LYS  96   0.101  15.457  -1.192
  748    HZ1  LYS  96           3HZ      LYS  96  -0.941  16.757  -2.949
  749    HZ2  LYS  96           1HZ      LYS  96   0.562  17.331  -2.675
  750    HZ3  LYS  96           2HZ      LYS  96   0.263  16.418  -3.998
  751    H    ARG  97           H        ARG  97   6.049  11.031  -2.241
  752    HA   ARG  97           HA       ARG  97   8.292  12.818  -3.144
  753    HB2  ARG  97           1HB      ARG  97   8.296  10.661  -0.999
  754    HB3  ARG  97           2HB      ARG  97   9.707  11.561  -1.534
  755    HG2  ARG  97           1HG      ARG  97   7.281  12.811  -0.155
  756    HG3  ARG  97           2HG      ARG  97   8.761  12.300   0.638
  757    HD2  ARG  97           1HD      ARG  97   8.971  14.622   0.392
  758    HD3  ARG  97           2HD      ARG  97  10.052  13.914  -0.818
  759    HE   ARG  97           HE       ARG  97   7.510  14.393  -2.020
  760   HH11  ARG  97          1HH1      ARG  97  10.206  16.351  -0.826
  761   HH12  ARG  97          2HH1      ARG  97   9.861  17.636  -1.947
  762   HH21  ARG  97          1HH2      ARG  97   7.137  16.010  -3.405
  763   HH22  ARG  97          2HH2      ARG  97   8.120  17.452  -3.399
  764    H    HIS  98           H        HIS  98   7.062   9.482  -3.049
  765    HA   HIS  98           HA       HIS  98   8.628   8.797  -5.501
  766    HB2  HIS  98           1HB      HIS  98   8.586   7.239  -2.891
  767    HB3  HIS  98           2HB      HIS  98   9.289   6.663  -4.402
  768    HD2  HIS  98           2HD      HIS  98  10.118   8.585  -1.309
  769    HE1  HIS  98           1HE      HIS  98  13.390   9.289  -3.940
  770    HE2  HIS  98           2HE      HIS  98  12.564   9.533  -1.543
  771    H    ARG  99           H        ARG  99   6.759   8.714  -6.761
  772    HA   ARG  99           HA       ARG  99   4.247   7.955  -6.086
  773    HB2  ARG  99           1HB      ARG  99   3.701   7.700  -8.351
  774    HB3  ARG  99           2HB      ARG  99   4.626   9.153  -7.972
  775    HG2  ARG  99           1HG      ARG  99   6.670   8.119  -8.957
  776    HG3  ARG  99           2HG      ARG  99   5.731   6.641  -9.327
  777    HD2  ARG  99           1HD      ARG  99   4.097   8.009 -10.548
  778    HD3  ARG  99           2HD      ARG  99   5.060   9.457 -10.219
  779    HE   ARG  99           HE       ARG  99   6.791   7.611 -11.469
  780   HH11  ARG  99          1HH1      ARG  99   3.894   9.396 -12.442
  781   HH12  ARG  99          2HH1      ARG  99   4.339   9.380 -14.122
  782   HH21  ARG  99          1HH2      ARG  99   7.306   7.632 -13.650
  783   HH22  ARG  99          2HH2      ARG  99   6.246   8.399 -14.792
  784    H    PHE 100           H        PHE 100   6.674   5.691  -7.338
  785    HA   PHE 100           HA       PHE 100   5.151   3.408  -6.182
  786    HB2  PHE 100           1HB      PHE 100   6.361   3.363  -8.961
  787    HB3  PHE 100           2HB      PHE 100   5.503   2.068  -8.132
  788    HD1  PHE 100           1HD      PHE 100   3.035   2.701  -7.301
  789    HD2  PHE 100           2HD      PHE 100   5.134   4.546 -10.586
  790    HE1  PHE 100           1HE      PHE 100   0.884   3.413  -8.275
  791    HE2  PHE 100           2HE      PHE 100   2.968   5.267 -11.558
  792    HZ   PHE 100           HZ       PHE 100   0.837   4.703 -10.404
  793    H    ASP 101           H        ASP 101   8.225   4.923  -6.865
  794    HA   ASP 101           HA       ASP 101   9.895   2.633  -6.811
  795    HB2  ASP 101           1HB      ASP 101  10.402   4.828  -7.856
  796    HB3  ASP 101           2HB      ASP 101  10.553   5.549  -6.253
  797    H    ALA 102           H        ALA 102   8.384   4.209  -4.158
  798    HA   ALA 102           HA       ALA 102  10.278   3.484  -2.072
  799    HB1  ALA 102           1HB      ALA 102   8.679   5.301  -1.758
  800    HB2  ALA 102           2HB      ALA 102   7.312   4.185  -2.001
  801    HB3  ALA 102           3HB      ALA 102   8.363   4.022  -0.581
  802    H    TRP 103           H        TRP 103   8.254   1.566  -4.019
  803    HA   TRP 103           HA       TRP 103   8.222  -0.672  -2.026
  804    HB2  TRP 103           1HB      TRP 103   6.264   0.043  -4.248
  805    HB3  TRP 103           2HB      TRP 103   6.204  -1.435  -3.302
  806    HD1  TRP 103           HD       TRP 103   5.533  -1.256  -0.736
  807    HE1  TRP 103           1HE      TRP 103   4.057   0.375   0.522
  808    HE3  TRP 103           3HE      TRP 103   5.666   2.641  -4.050
  809    HZ2  TRP 103           2HZ      TRP 103   2.947   3.038   0.102
  810    HZ3  TRP 103           3HZ      TRP 103   4.381   4.711  -3.605
  811    HH2  TRP 103           HH       TRP 103   2.983   4.905  -1.560
  812    H    TYR 104           H        TYR 104   9.298  -2.368  -2.447
  813    HA   TYR 104           HA       TYR 104  10.989  -2.453  -4.750
  814    HB2  TYR 104           1HB      TYR 104  11.522  -3.220  -2.399
  815    HB3  TYR 104           2HB      TYR 104  10.521  -4.643  -2.696
  816    HD1  TYR 104           2HD      TYR 104  13.391  -2.676  -4.005
  817    HD2  TYR 104           1HD      TYR 104  11.467  -6.519  -3.867
  818    HE1  TYR 104           2HE      TYR 104  15.337  -3.685  -5.227
  819    HE2  TYR 104           1HE      TYR 104  13.395  -7.544  -5.081
  820    HH   TYR 104           HH       TYR 104  16.233  -5.608  -6.129
  821    H    GLY 105           H        GLY 105   7.964  -4.165  -3.967
  822    HA2  GLY 105           1HA      GLY 105   8.161  -6.241  -5.902
  823    HA3  GLY 105           2HA      GLY 105   6.657  -5.594  -5.203
  824    H    TRP 106           H        TRP 106   6.914  -2.906  -6.220
  825    HA   TRP 106           HA       TRP 106   5.838  -3.248  -8.841
  826    HB2  TRP 106           1HB      TRP 106   5.125  -1.432  -7.491
  827    HB3  TRP 106           2HB      TRP 106   6.762  -0.811  -7.308
  828    HD1  TRP 106           HD       TRP 106   3.851  -0.876  -9.775
  829    HE1  TRP 106           1HE      TRP 106   4.306   0.743 -11.712
  830    HE3  TRP 106           3HE      TRP 106   8.637   0.438  -8.573
  831    HZ2  TRP 106           2HZ      TRP 106   6.508   2.418 -12.618
  832    HZ3  TRP 106           3HZ      TRP 106   9.917   1.995  -9.990
  833    HH2  TRP 106           HH       TRP 106   8.863   3.009 -12.020
  834    H    LYS 107           H        LYS 107   9.080  -2.121  -7.802
  835    HA   LYS 107           HA       LYS 107  10.025  -1.987 -10.575
  836    HB2  LYS 107           1HB      LYS 107  12.191  -1.390  -9.589
  837    HB3  LYS 107           2HB      LYS 107  10.854  -0.347  -9.125
  838    HG2  LYS 107           1HG      LYS 107  10.688  -1.628  -6.953
  839    HG3  LYS 107           2HG      LYS 107  12.195  -2.455  -7.386
  840    HD2  LYS 107           1HD      LYS 107  11.751   0.539  -6.998
  841    HD3  LYS 107           2HD      LYS 107  12.548  -0.544  -5.853
  842    HE2  LYS 107           1HE      LYS 107  14.381  -0.954  -7.445
  843    HE3  LYS 107           2HE      LYS 107  13.561   0.019  -8.677
  844    HZ1  LYS 107           3HZ      LYS 107  15.240   1.327  -7.551
  845    HZ2  LYS 107           1HZ      LYS 107  13.754   1.943  -7.231
  846    HZ3  LYS 107           2HZ      LYS 107  14.546   1.072  -6.089
  847    H    ASN 108           H        ASN 108   9.652  -4.582  -8.414
  848    HA   ASN 108           HA       ASN 108  11.681  -6.271  -9.712
  849    HB2  ASN 108           1HB      ASN 108  11.246  -6.432  -7.302
  850    HB3  ASN 108           2HB      ASN 108   9.567  -6.886  -7.618
  851   HD21  ASN 108          2HD2      ASN 108  12.972  -7.949  -7.985
  852   HD22  ASN 108          1HD2      ASN 108  12.574  -9.650  -8.138
  853    H    HIS 109           H        HIS 109   8.093  -5.940  -9.836
  854    HA   HIS 109           HA       HIS 109   8.098  -7.874 -12.124
  855    HB2  HIS 109           1HB      HIS 109   6.945  -9.367 -11.017
  856    HB3  HIS 109           2HB      HIS 109   7.320  -8.494  -9.547
  857    HD2  HIS 109           2HD      HIS 109   5.304  -6.458  -8.965
  858    HE1  HIS 109           1HE      HIS 109   2.195  -8.869 -10.566
  859    HE2  HIS 109           2HE      HIS 109   2.719  -6.852  -9.091
  860    H    CYS 110           H        CYS 110   6.568  -4.892 -10.983
  861    HA   CYS 110           HA       CYS 110   4.411  -5.021 -12.950
  862    HB2  CYS 110           1HB      CYS 110   5.474  -2.642 -11.390
  863    HB3  CYS 110           2HB      CYS 110   3.995  -2.689 -12.314
  864    H    GLN 111           H        GLN 111   7.696  -4.461 -13.387
  865    HA   GLN 111           HA       GLN 111   7.557  -2.385 -15.428
  866    HB2  GLN 111           1HB      GLN 111   9.818  -4.342 -14.844
  867    HB3  GLN 111           2HB      GLN 111   9.931  -2.810 -15.703
  868    HG2  GLN 111           1HG      GLN 111   9.396  -3.214 -12.731
  869    HG3  GLN 111           2HG      GLN 111  10.846  -2.562 -13.470
  870   HE21  GLN 111          2HE2      GLN 111   8.042  -1.631 -11.859
  871   HE22  GLN 111          1HE2      GLN 111   8.023   0.034 -12.423
  872    H    GLY 112           H        GLY 112   7.168  -5.871 -15.501
  873    HA2  GLY 112           1HA      GLY 112   7.795  -6.130 -18.370
  874    HA3  GLY 112           2HA      GLY 112   7.241  -7.402 -17.257
  875    H    SER 113           H        SER 113   4.865  -6.152 -16.322
  876    HA   SER 113           HA       SER 113   3.086  -5.371 -18.446
  877    HB2  SER 113           1HB      SER 113   3.478  -7.813 -19.021
  878    HB3  SER 113           2HB      SER 113   2.765  -8.231 -17.457
  879    HG   SER 113           HG       SER 113   1.238  -8.256 -19.214
  880    H    LEU 114           H        LEU 114   0.927  -4.978 -17.672
  881    HA   LEU 114           HA       LEU 114   0.524  -5.099 -14.721
  882    HB2  LEU 114           1HB      LEU 114  -0.270  -2.981 -16.766
  883    HB3  LEU 114           2HB      LEU 114  -0.828  -3.004 -15.100
  884    HG   LEU 114           HG       LEU 114   2.113  -2.777 -15.885
  885   HD11  LEU 114          1HD1      LEU 114   0.771  -0.874 -16.690
  886   HD12  LEU 114          2HD1      LEU 114   0.144  -0.614 -15.041
  887   HD13  LEU 114          3HD1      LEU 114   1.878  -0.401 -15.389
  888   HD21  LEU 114          3HD2      LEU 114   2.314  -1.933 -13.518
  889   HD22  LEU 114          1HD2      LEU 114   0.638  -2.438 -13.232
  890   HD23  LEU 114          2HD2      LEU 114   1.885  -3.645 -13.620
  891    HA   PRO 115           HA       PRO 115  -3.303  -7.209 -15.718
  892    HB2  PRO 115           1HB      PRO 115  -4.808  -6.736 -13.507
  893    HB3  PRO 115           2HB      PRO 115  -3.334  -7.758 -13.454
  894    HG2  PRO 115           1HG      PRO 115  -3.588  -4.818 -12.726
  895    HG3  PRO 115           2HG      PRO 115  -2.832  -6.135 -11.767
  896    HD2  PRO 115           1HD      PRO 115  -1.370  -4.484 -13.376
  897    HD3  PRO 115           2HD      PRO 115  -0.955  -6.218 -13.188
  898    H    ASP 116           H        ASP 116  -5.506  -6.792 -16.309
  899    HA   ASP 116           HA       ASP 116  -6.083  -4.048 -17.157
  900    HB2  ASP 116           1HB      ASP 116  -6.559  -5.948 -18.631
  901    HB3  ASP 116           2HB      ASP 116  -7.663  -6.627 -17.430
  902    H    ILE 117           H        ILE 117  -7.897  -2.925 -16.654
  903    HA   ILE 117           HA       ILE 117  -9.380  -3.466 -14.114
  904    HB   ILE 117           HB       ILE 117  -9.173  -1.089 -13.498
  905   HG12  ILE 117          1HG1      ILE 117  -7.085  -0.886 -15.725
  906   HG13  ILE 117          2HG1      ILE 117  -8.727  -0.247 -15.839
  907   HG21  ILE 117          1HG2      ILE 117  -7.658  -2.823 -12.539
  908   HG22  ILE 117          2HG2      ILE 117  -6.441  -2.415 -13.756
  909   HG23  ILE 117          3HG2      ILE 117  -6.940  -1.208 -12.552
  910   HD11  ILE 117          3HD1      ILE 117  -7.241   1.533 -15.290
  911   HD12  ILE 117          1HD1      ILE 117  -8.271   1.212 -13.876
  912   HD13  ILE 117          2HD1      ILE 117  -6.582   0.633 -13.914
  913    H    SER 118           H        SER 118  -9.629  -2.817 -17.409
  914    HA   SER 118           HA       SER 118 -11.886  -1.026 -17.445
  915    HB2  SER 118           1HB      SER 118 -10.277  -1.606 -19.327
  916    HB3  SER 118           2HB      SER 118 -11.164  -3.130 -19.512
  917    HG   SER 118           HG       SER 118 -11.927  -1.459 -20.928
  918    H    SER 119           H        SER 119 -11.660  -4.407 -16.652
  919    HA   SER 119           HA       SER 119 -14.505  -5.034 -16.959
  920    HB2  SER 119           1HB      SER 119 -13.778  -7.111 -15.751
  921    HB3  SER 119           2HB      SER 119 -12.911  -6.790 -17.264
  922    HG   SER 119           HG       SER 119 -11.490  -7.399 -15.538
  923    H    CYS 120           H        CYS 120 -12.727  -3.254 -14.649
  924    HA   CYS 120           HA       CYS 120 -14.375  -4.045 -12.324
  925    HB2  CYS 120           1HB      CYS 120 -12.020  -2.157 -12.530
  926    HB3  CYS 120           2HB      CYS 120 -12.752  -2.762 -11.049
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  -8.331  -8.663  10.412
    2    H2   GLY   1           2H       GLY   1  -6.888  -9.157   9.791
    3    H3   GLY   1           3H       GLY   1  -7.002  -7.696  10.530
    4    HA2  GLY   1           1HA      GLY   1  -8.406  -6.827   8.822
    5    HA3  GLY   1           2HA      GLY   1  -6.886  -7.455   8.157
    6    H    LYS   2           H        LYS   2  -7.797  -7.752   6.129
    7    HA   LYS   2           HA       LYS   2  -9.245 -10.238   5.636
    8    HB2  LYS   2           1HB      LYS   2 -11.139  -9.220   4.531
    9    HB3  LYS   2           2HB      LYS   2 -11.065  -8.629   6.190
   10    HG2  LYS   2           1HG      LYS   2 -10.099  -6.500   5.456
   11    HG3  LYS   2           2HG      LYS   2 -10.017  -7.063   3.785
   12    HD2  LYS   2           1HD      LYS   2 -12.615  -6.756   5.336
   13    HD3  LYS   2           2HD      LYS   2 -11.915  -5.522   4.277
   14    HE2  LYS   2           1HE      LYS   2 -11.973  -7.104   2.362
   15    HE3  LYS   2           2HE      LYS   2 -12.742  -8.320   3.393
   16    HZ1  LYS   2           3HZ      LYS   2 -14.381  -7.089   2.109
   17    HZ2  LYS   2           1HZ      LYS   2 -14.605  -6.785   3.697
   18    HZ3  LYS   2           2HZ      LYS   2 -13.894  -5.663   2.742
   19    H    THR   3           H        THR   3  -9.540 -10.639   3.296
   20    HA   THR   3           HA       THR   3  -7.409  -9.367   1.638
   21    HB   THR   3           HB       THR   3  -8.610 -12.099   1.143
   22    HG1  THR   3           1HG      THR   3  -6.804 -12.888   2.230
   23   HG21  THR   3          3HG2      THR   3  -6.451 -12.386  -0.092
   24   HG22  THR   3          1HG2      THR   3  -7.402 -11.051  -0.757
   25   HG23  THR   3          2HG2      THR   3  -6.018 -10.707   0.302
   26    H    PHE   4           H        PHE   4  -7.911  -8.357  -0.138
   27    HA   PHE   4           HA       PHE   4 -10.736  -8.157  -1.048
   28    HB2  PHE   4           1HB      PHE   4  -8.252  -6.467  -1.529
   29    HB3  PHE   4           2HB      PHE   4  -9.754  -6.181  -2.359
   30    HD1  PHE   4           1HD      PHE   4  -8.251  -6.317   1.091
   31    HD2  PHE   4           2HD      PHE   4 -11.436  -4.788  -1.395
   32    HE1  PHE   4           1HE      PHE   4  -9.070  -4.931   2.973
   33    HE2  PHE   4           2HE      PHE   4 -12.256  -3.430   0.496
   34    HZ   PHE   4           HZ       PHE   4 -11.085  -3.503   2.692
   35    H    THR   5           H        THR   5 -11.183  -8.176  -3.289
   36    HA   THR   5           HA       THR   5  -9.414  -9.869  -5.018
   37    HB   THR   5           HB       THR   5 -11.716 -10.704  -4.729
   38    HG1  THR   5           1HG      THR   5 -11.914 -11.041  -6.940
   39   HG21  THR   5          3HG2      THR   5 -13.594  -9.621  -5.805
   40   HG22  THR   5          1HG2      THR   5 -12.933  -8.486  -4.620
   41   HG23  THR   5          2HG2      THR   5 -12.588  -8.272  -6.355
   42    H    ARG   6           H        ARG   6  -9.207  -9.053  -7.325
   43    HA   ARG   6           HA       ARG   6  -8.089  -6.453  -7.260
   44    HB2  ARG   6           1HB      ARG   6  -7.515  -8.253  -8.883
   45    HB3  ARG   6           2HB      ARG   6  -9.018  -7.925  -9.754
   46    HG2  ARG   6           1HG      ARG   6  -8.279  -5.589 -10.167
   47    HG3  ARG   6           2HG      ARG   6  -6.804  -5.871  -9.231
   48    HD2  ARG   6           1HD      ARG   6  -7.586  -7.323 -11.790
   49    HD3  ARG   6           2HD      ARG   6  -6.462  -5.962 -11.690
   50    HE   ARG   6           HE       ARG   6  -5.229  -7.570  -9.972
   51   HH11  ARG   6          1HH1      ARG   6  -6.740  -8.694 -12.984
   52   HH12  ARG   6          2HH1      ARG   6  -5.601  -9.997 -13.150
   53   HH21  ARG   6          1HH2      ARG   6  -3.715  -9.073 -10.359
   54   HH22  ARG   6          2HH2      ARG   6  -3.912 -10.239 -11.653
   55    H    CYS   7           H        CYS   7 -11.288  -7.441  -8.581
   56    HA   CYS   7           HA       CYS   7 -12.143  -4.841  -9.388
   57    HB2  CYS   7           1HB      CYS   7 -13.839  -7.164  -8.398
   58    HB3  CYS   7           2HB      CYS   7 -14.398  -5.794  -9.355
   59    H    GLY   8           H        GLY   8 -12.231  -6.343  -6.184
   60    HA2  GLY   8           1HA      GLY   8 -13.847  -4.263  -4.918
   61    HA3  GLY   8           2HA      GLY   8 -12.878  -5.523  -4.108
   62    H    LEU   9           H        LEU   9 -10.325  -5.031  -5.027
   63    HA   LEU   9           HA       LEU   9  -9.427  -2.792  -3.530
   64    HB2  LEU   9           1HB      LEU   9  -8.150  -4.882  -4.012
   65    HB3  LEU   9           2HB      LEU   9  -8.060  -4.434  -5.717
   66    HG   LEU   9           HG       LEU   9  -6.782  -2.400  -5.111
   67   HD11  LEU   9          1HD1      LEU   9  -7.570  -1.941  -2.863
   68   HD12  LEU   9          2HD1      LEU   9  -6.983  -3.515  -2.289
   69   HD13  LEU   9          3HD1      LEU   9  -5.831  -2.242  -2.780
   70   HD21  LEU   9          3HD2      LEU   9  -4.695  -3.507  -4.634
   71   HD22  LEU   9          1HD2      LEU   9  -5.540  -4.900  -3.919
   72   HD23  LEU   9          2HD2      LEU   9  -5.656  -4.576  -5.666
   73    H    VAL  10           H        VAL  10  -9.695  -3.142  -7.116
   74    HA   VAL  10           HA       VAL  10  -8.837  -0.564  -7.861
   75    HB   VAL  10           HB       VAL  10 -10.990  -2.354  -9.048
   76   HG11  VAL  10          1HG1      VAL  10 -11.669  -0.199  -9.828
   77   HG12  VAL  10          2HG1      VAL  10 -10.003   0.318 -10.101
   78   HG13  VAL  10          3HG1      VAL  10 -10.736  -0.909 -11.145
   79   HG21  VAL  10          3HG2      VAL  10  -9.332  -2.790 -10.783
   80   HG22  VAL  10          1HG2      VAL  10  -8.207  -1.624 -10.060
   81   HG23  VAL  10          2HG2      VAL  10  -8.607  -3.123  -9.211
   82    H    HIS  11           H        HIS  11 -12.088  -1.566  -6.786
   83    HA   HIS  11           HA       HIS  11 -13.298   1.066  -6.938
   84    HB2  HIS  11           1HB      HIS  11 -14.073  -1.502  -5.511
   85    HB3  HIS  11           2HB      HIS  11 -15.032  -0.039  -5.442
   86    HD2  HIS  11           2HD      HIS  11 -13.648  -0.420  -8.926
   87    HE1  HIS  11           1HE      HIS  11 -17.560  -2.096  -9.033
   88    HE2  HIS  11           2HE      HIS  11 -15.620  -1.299 -10.456
   89    H    GLU  12           H        GLU  12 -11.840  -0.748  -4.218
   90    HA   GLU  12           HA       GLU  12 -12.495   1.113  -2.172
   91    HB2  GLU  12           1HB      GLU  12 -11.483  -1.378  -2.187
   92    HB3  GLU  12           2HB      GLU  12  -9.967  -0.520  -2.034
   93    HG2  GLU  12           1HG      GLU  12 -10.899  -1.237   0.122
   94    HG3  GLU  12           2HG      GLU  12 -10.766   0.528   0.030
   95    H    LEU  13           H        LEU  13  -9.618   0.897  -4.262
   96    HA   LEU  13           HA       LEU  13  -8.308   3.230  -3.139
   97    HB2  LEU  13           1HB      LEU  13  -8.025   1.795  -5.791
   98    HB3  LEU  13           2HB      LEU  13  -6.861   2.958  -5.156
   99    HG   LEU  13           HG       LEU  13  -7.560   0.314  -3.856
  100   HD11  LEU  13          1HD1      LEU  13  -6.412   0.013  -5.985
  101   HD12  LEU  13          2HD1      LEU  13  -5.155   1.179  -5.495
  102   HD13  LEU  13          3HD1      LEU  13  -5.310  -0.378  -4.647
  103   HD21  LEU  13          3HD2      LEU  13  -5.608   0.668  -2.450
  104   HD22  LEU  13          1HD2      LEU  13  -5.351   2.277  -3.190
  105   HD23  LEU  13          2HD2      LEU  13  -6.791   1.955  -2.196
  106    H    ARG  14           H        ARG  14 -10.454   2.763  -5.953
  107    HA   ARG  14           HA       ARG  14 -10.407   5.463  -6.911
  108    HB2  ARG  14           1HB      ARG  14 -12.520   3.301  -7.004
  109    HB3  ARG  14           2HB      ARG  14 -12.841   4.913  -7.639
  110    HG2  ARG  14           1HG      ARG  14 -11.142   4.758  -9.299
  111    HG3  ARG  14           2HG      ARG  14 -10.460   3.290  -8.578
  112    HD2  ARG  14           1HD      ARG  14 -12.463   2.024  -9.074
  113    HD3  ARG  14           2HD      ARG  14 -13.279   3.476  -9.703
  114    HE   ARG  14           HE       ARG  14 -10.886   3.088 -11.161
  115   HH11  ARG  14          1HH1      ARG  14 -14.065   1.550 -10.816
  116   HH12  ARG  14          2HH1      ARG  14 -13.915   0.701 -12.341
  117   HH21  ARG  14          1HH2      ARG  14 -10.836   1.977 -13.183
  118   HH22  ARG  14          2HH2      ARG  14 -12.182   0.954 -13.613
  119    H    LYS  15           H        LYS  15 -12.439   4.014  -4.309
  120    HA   LYS  15           HA       LYS  15 -13.800   6.483  -3.612
  121    HB2  LYS  15           1HB      LYS  15 -13.228   3.922  -2.079
  122    HB3  LYS  15           2HB      LYS  15 -14.200   5.242  -1.432
  123    HG2  LYS  15           1HG      LYS  15 -15.828   5.032  -3.248
  124    HG3  LYS  15           2HG      LYS  15 -14.895   3.736  -3.994
  125    HD2  LYS  15           1HD      LYS  15 -16.186   3.634  -1.230
  126    HD3  LYS  15           2HD      LYS  15 -16.817   2.874  -2.701
  127    HE2  LYS  15           1HE      LYS  15 -14.756   1.484  -2.869
  128    HE3  LYS  15           2HE      LYS  15 -14.138   2.232  -1.389
  129    HZ1  LYS  15           3HZ      LYS  15 -15.113   0.130  -0.889
  130    HZ2  LYS  15           1HZ      LYS  15 -16.023   1.293  -0.193
  131    HZ3  LYS  15           2HZ      LYS  15 -16.564   0.543  -1.551
  132    H    HIS  16           H        HIS  16 -10.732   5.041  -2.552
  133    HA   HIS  16           HA       HIS  16 -10.296   7.070  -0.509
  134    HB2  HIS  16           1HB      HIS  16  -8.637   4.707  -1.464
  135    HB3  HIS  16           2HB      HIS  16  -8.217   5.752  -0.107
  136    HD2  HIS  16           2HD      HIS  16  -8.387   3.100   0.955
  137    HE1  HIS  16           1HE      HIS  16 -12.500   3.501   1.878
  138    HE2  HIS  16           2HE      HIS  16 -10.426   2.172   2.375
  139    H    GLY  17           H        GLY  17  -9.956   7.468  -3.728
  140    HA2  GLY  17           1HA      GLY  17  -9.287   9.526  -4.626
  141    HA3  GLY  17           2HA      GLY  17  -8.195   9.802  -3.252
  142    H    PHE  18           H        PHE  18  -8.009   6.774  -5.057
  143    HA   PHE  18           HA       PHE  18  -5.355   7.522  -6.132
  144    HB2  PHE  18           1HB      PHE  18  -6.873   4.922  -6.108
  145    HB3  PHE  18           2HB      PHE  18  -5.296   5.170  -6.845
  146    HD1  PHE  18           2HD      PHE  18  -6.882   5.793  -3.436
  147    HD2  PHE  18           1HD      PHE  18  -3.501   4.345  -5.680
  148    HE1  PHE  18           2HE      PHE  18  -5.722   5.299  -1.353
  149    HE2  PHE  18           1HE      PHE  18  -2.335   3.806  -3.559
  150    HZ   PHE  18           HZ       PHE  18  -3.435   4.275  -1.387
  151    H    GLU  19           H        GLU  19  -4.924   7.712  -8.349
  152    HA   GLU  19           HA       GLU  19  -7.165   8.538  -9.996
  153    HB2  GLU  19           1HB      GLU  19  -4.221   8.257 -10.691
  154    HB3  GLU  19           2HB      GLU  19  -5.446   9.074 -11.663
  155    HG2  GLU  19           1HG      GLU  19  -4.542   9.943  -8.891
  156    HG3  GLU  19           2HG      GLU  19  -4.005  10.627 -10.419
  157    H    GLU  20           H        GLU  20  -8.098   7.548 -11.726
  158    HA   GLU  20           HA       GLU  20  -8.019   4.751 -11.952
  159    HB2  GLU  20           1HB      GLU  20  -9.513   4.990 -13.829
  160    HB3  GLU  20           2HB      GLU  20  -9.953   6.101 -12.536
  161    HG2  GLU  20           1HG      GLU  20  -8.834   7.967 -13.788
  162    HG3  GLU  20           2HG      GLU  20  -8.457   6.840 -15.094
  163    H    ASN  21           H        ASN  21  -5.986   7.079 -13.664
  164    HA   ASN  21           HA       ASN  21  -5.070   5.098 -15.620
  165    HB2  ASN  21           1HB      ASN  21  -3.744   6.812 -16.528
  166    HB3  ASN  21           2HB      ASN  21  -5.307   7.529 -16.165
  167   HD21  ASN  21          2HD2      ASN  21  -2.413   8.641 -16.408
  168   HD22  ASN  21          1HD2      ASN  21  -2.241   9.583 -14.938
  169    H    LEU  22           H        LEU  22  -4.187   5.972 -12.380
  170    HA   LEU  22           HA       LEU  22  -1.534   4.603 -12.579
  171    HB2  LEU  22           1HB      LEU  22  -2.871   6.040 -10.256
  172    HB3  LEU  22           2HB      LEU  22  -1.236   5.380 -10.274
  173    HG   LEU  22           HG       LEU  22  -2.254   7.724 -11.913
  174   HD11  LEU  22          1HD1      LEU  22  -1.930   8.194  -9.516
  175   HD12  LEU  22          2HD1      LEU  22  -0.275   7.551  -9.607
  176   HD13  LEU  22          3HD1      LEU  22  -0.712   9.029 -10.494
  177   HD21  LEU  22          3HD2      LEU  22   0.118   8.050 -12.597
  178   HD22  LEU  22          1HD2      LEU  22   0.542   6.502 -11.840
  179   HD23  LEU  22          2HD2      LEU  22  -0.552   6.550 -13.242
  180    H    MET  23           H        MET  23  -4.799   4.047 -11.566
  181    HA   MET  23           HA       MET  23  -4.755   2.251  -9.571
  182    HB2  MET  23           1HB      MET  23  -6.672   3.203 -10.976
  183    HB3  MET  23           2HB      MET  23  -6.451   1.862 -12.063
  184    HG2  MET  23           1HG      MET  23  -8.286   1.451 -10.449
  185    HG3  MET  23           2HG      MET  23  -6.996   0.275 -10.218
  186    HE1  MET  23           3HE      MET  23  -8.085   3.857  -7.565
  187    HE2  MET  23           1HE      MET  23  -6.793   4.129  -8.761
  188    HE3  MET  23           2HE      MET  23  -8.413   3.642  -9.289
  189    H    ARG  24           H        ARG  24  -4.167   1.230 -12.982
  190    HA   ARG  24           HA       ARG  24  -3.766  -1.512 -12.562
  191    HB2  ARG  24           1HB      ARG  24  -2.314   0.317 -14.530
  192    HB3  ARG  24           2HB      ARG  24  -2.403  -1.447 -14.614
  193    HG2  ARG  24           1HG      ARG  24  -4.885  -1.294 -14.801
  194    HG3  ARG  24           2HG      ARG  24  -4.750   0.475 -14.826
  195    HD2  ARG  24           1HD      ARG  24  -4.969  -0.203 -17.085
  196    HD3  ARG  24           2HD      ARG  24  -3.276   0.274 -16.859
  197    HE   ARG  24           HE       ARG  24  -3.717  -2.566 -16.412
  198   HH11  ARG  24          1HH1      ARG  24  -3.365  -0.259 -19.075
  199   HH12  ARG  24          2HH1      ARG  24  -2.811  -1.481 -20.180
  200   HH21  ARG  24          1HH2      ARG  24  -2.908  -4.079 -17.871
  201   HH22  ARG  24          2HH2      ARG  24  -2.584  -3.611 -19.510
  202    H    ASN  25           H        ASN  25  -1.281   1.090 -12.308
  203    HA   ASN  25           HA       ASN  25   0.898  -0.696 -11.585
  204    HB2  ASN  25           1HB      ASN  25   0.472   2.307 -11.330
  205    HB3  ASN  25           2HB      ASN  25   1.872   1.494 -10.644
  206   HD21  ASN  25          2HD2      ASN  25   0.473   2.679 -13.625
  207   HD22  ASN  25          1HD2      ASN  25   1.828   2.201 -14.627
  208    H    TRP  26           H        TRP  26  -1.443   1.275  -9.671
  209    HA   TRP  26           HA       TRP  26  -0.322   0.637  -7.134
  210    HB2  TRP  26           1HB      TRP  26  -3.042   1.615  -8.039
  211    HB3  TRP  26           2HB      TRP  26  -2.708   1.254  -6.353
  212    HD1  TRP  26           HD       TRP  26  -2.523   4.063  -8.678
  213    HE1  TRP  26           1HE      TRP  26  -1.170   5.998  -7.699
  214    HE3  TRP  26           3HE      TRP  26  -0.236   1.575  -4.835
  215    HZ2  TRP  26           2HZ      TRP  26   0.452   6.483  -5.326
  216    HZ3  TRP  26           3HZ      TRP  26   1.180   2.798  -3.215
  217    HH2  TRP  26           HH       TRP  26   1.510   5.253  -3.434
  218    H    VAL  27           H        VAL  27  -3.126  -0.966  -8.793
  219    HA   VAL  27           HA       VAL  27  -3.359  -2.894  -6.670
  220    HB   VAL  27           HB       VAL  27  -4.810  -4.215  -7.963
  221   HG11  VAL  27          1HG1      VAL  27  -5.594  -1.995  -7.090
  222   HG12  VAL  27          2HG1      VAL  27  -5.415  -1.339  -8.727
  223   HG13  VAL  27          3HG1      VAL  27  -6.547  -2.664  -8.420
  224   HG21  VAL  27          3HG2      VAL  27  -5.331  -3.790 -10.352
  225   HG22  VAL  27          1HG2      VAL  27  -3.944  -2.682 -10.437
  226   HG23  VAL  27          2HG2      VAL  27  -3.696  -4.409 -10.090
  227    H    CYS  28           H        CYS  28  -1.368  -2.943  -9.640
  228    HA   CYS  28           HA       CYS  28  -0.520  -5.681  -9.296
  229    HB2  CYS  28           1HB      CYS  28  -0.577  -4.258 -11.372
  230    HB3  CYS  28           2HB      CYS  28   0.885  -3.461 -10.820
  231    H    LEU  29           H        LEU  29   0.830  -2.592  -8.158
  232    HA   LEU  29           HA       LEU  29   3.173  -3.606  -6.837
  233    HB2  LEU  29           1HB      LEU  29   2.793  -1.279  -7.409
  234    HB3  LEU  29           2HB      LEU  29   1.376  -1.170  -6.394
  235    HG   LEU  29           HG       LEU  29   4.167  -1.644  -5.275
  236   HD11  LEU  29          1HD1      LEU  29   4.057   0.481  -6.566
  237   HD12  LEU  29          2HD1      LEU  29   2.612   0.962  -5.651
  238   HD13  LEU  29          3HD1      LEU  29   4.176   0.795  -4.836
  239   HD21  LEU  29          3HD2      LEU  29   3.135  -0.604  -3.206
  240   HD22  LEU  29          1HD2      LEU  29   1.550  -0.711  -3.991
  241   HD23  LEU  29          2HD2      LEU  29   2.469  -2.180  -3.592
  242    H    VAL  30           H        VAL  30  -0.101  -2.866  -5.567
  243    HA   VAL  30           HA       VAL  30   0.314  -3.885  -2.963
  244    HB   VAL  30           HB       VAL  30  -2.169  -3.491  -4.648
  245   HG11  VAL  30          1HG1      VAL  30  -2.836  -5.281  -3.165
  246   HG12  VAL  30          2HG1      VAL  30  -2.080  -4.469  -1.782
  247   HG13  VAL  30          3HG1      VAL  30  -3.518  -3.773  -2.568
  248   HG21  VAL  30          3HG2      VAL  30  -2.547  -1.604  -3.127
  249   HG22  VAL  30          1HG2      VAL  30  -1.141  -2.072  -2.144
  250   HG23  VAL  30          2HG2      VAL  30  -0.914  -1.484  -3.798
  251    H    GLU  31           H        GLU  31  -0.906  -5.635  -5.867
  252    HA   GLU  31           HA       GLU  31  -1.372  -8.106  -4.571
  253    HB2  GLU  31           1HB      GLU  31  -0.752  -7.319  -7.432
  254    HB3  GLU  31           2HB      GLU  31  -0.906  -9.025  -6.989
  255    HG2  GLU  31           1HG      GLU  31  -3.130  -8.759  -6.187
  256    HG3  GLU  31           2HG      GLU  31  -3.062  -7.001  -6.299
  257    H    HIS  32           H        HIS  32   1.745  -6.729  -5.660
  258    HA   HIS  32           HA       HIS  32   3.165  -9.238  -5.127
  259    HB2  HIS  32           1HB      HIS  32   3.681  -7.369  -6.862
  260    HB3  HIS  32           2HB      HIS  32   4.420  -6.515  -5.516
  261    HD2  HIS  32           2HD      HIS  32   4.871  -9.391  -7.908
  262    HE1  HIS  32           1HE      HIS  32   8.302  -9.531  -5.391
  263    HE2  HIS  32           2HE      HIS  32   7.276 -10.432  -7.539
  264    H    GLU  33           H        GLU  33   2.589  -6.163  -3.415
  265    HA   GLU  33           HA       GLU  33   4.604  -6.682  -1.380
  266    HB2  GLU  33           1HB      GLU  33   2.406  -4.603  -1.623
  267    HB3  GLU  33           2HB      GLU  33   3.511  -4.667  -0.259
  268    HG2  GLU  33           1HG      GLU  33   4.360  -4.307  -3.161
  269    HG3  GLU  33           2HG      GLU  33   4.172  -3.016  -1.982
  270    H    SER  34           H        SER  34   0.984  -6.711  -1.259
  271    HA   SER  34           HA       SER  34   1.166  -8.454   1.187
  272    HB2  SER  34           1HB      SER  34  -1.029  -7.584   1.775
  273    HB3  SER  34           2HB      SER  34   0.136  -6.286   1.678
  274    HG   SER  34           HG       SER  34  -0.858  -5.481  -0.038
  275    H    SER  35           H        SER  35   0.175  -8.491  -2.096
  276    HA   SER  35           HA       SER  35  -1.268  -9.765  -3.333
  277    HB2  SER  35           1HB      SER  35  -1.360 -11.765  -1.076
  278    HB3  SER  35           2HB      SER  35  -1.810 -11.998  -2.768
  279    HG   SER  35           HG       SER  35   0.467 -11.426  -3.261
  280    H    ARG  36           H        ARG  36  -2.236  -7.610  -1.655
  281    HA   ARG  36           HA       ARG  36  -4.168  -6.531  -1.406
  282    HB2  ARG  36           1HB      ARG  36  -5.787  -8.892  -2.382
  283    HB3  ARG  36           2HB      ARG  36  -6.194  -7.179  -2.413
  284    HG2  ARG  36           1HG      ARG  36  -4.274  -6.861  -4.068
  285    HG3  ARG  36           2HG      ARG  36  -4.149  -8.611  -4.151
  286    HD2  ARG  36           1HD      ARG  36  -6.703  -7.076  -4.775
  287    HD3  ARG  36           2HD      ARG  36  -5.535  -7.588  -5.986
  288    HE   ARG  36           HE       ARG  36  -7.072  -9.420  -4.178
  289   HH11  ARG  36          1HH1      ARG  36  -5.578  -8.976  -7.408
  290   HH12  ARG  36          2HH1      ARG  36  -6.001 -10.600  -7.863
  291   HH21  ARG  36          1HH2      ARG  36  -7.498 -11.466  -4.862
  292   HH22  ARG  36          2HH2      ARG  36  -7.102 -11.964  -6.478
  293    H    ASP  37           H        ASP  37  -3.054  -8.105   0.729
  294    HA   ASP  37           HA       ASP  37  -5.461  -8.803   2.403
  295    HB2  ASP  37           1HB      ASP  37  -4.180 -10.801   1.827
  296    HB3  ASP  37           2HB      ASP  37  -2.700 -10.039   2.389
  297    H    THR  38           H        THR  38  -5.816  -7.346   3.971
  298    HA   THR  38           HA       THR  38  -3.785  -5.420   4.754
  299    HB   THR  38           HB       THR  38  -5.324  -4.658   6.496
  300    HG1  THR  38           1HG      THR  38  -7.304  -5.538   6.687
  301   HG21  THR  38          3HG2      THR  38  -7.149  -3.879   5.071
  302   HG22  THR  38          1HG2      THR  38  -5.589  -3.747   4.246
  303   HG23  THR  38          2HG2      THR  38  -6.718  -5.067   3.825
  304    H    SER  39           H        SER  39  -4.607  -8.615   5.996
  305    HA   SER  39           HA       SER  39  -3.471  -8.187   8.639
  306    HB2  SER  39           1HB      SER  39  -4.088 -10.737   7.106
  307    HB3  SER  39           2HB      SER  39  -3.700 -10.629   8.820
  308    HG   SER  39           HG       SER  39  -5.989 -10.756   8.260
  309    H    LYS  40           H        LYS  40  -1.891  -8.349   5.665
  310    HA   LYS  40           HA       LYS  40   0.140 -10.275   6.340
  311    HB2  LYS  40           1HB      LYS  40  -0.843  -9.542   4.019
  312    HB3  LYS  40           2HB      LYS  40   0.334  -8.247   4.096
  313    HG2  LYS  40           1HG      LYS  40   1.439  -9.946   2.873
  314    HG3  LYS  40           2HG      LYS  40   2.108 -10.127   4.487
  315    HD2  LYS  40           1HD      LYS  40   1.592 -12.343   3.795
  316    HD3  LYS  40           2HD      LYS  40   0.258 -11.916   4.874
  317    HE2  LYS  40           1HE      LYS  40  -0.824 -11.038   2.573
  318    HE3  LYS  40           2HE      LYS  40   0.320 -12.170   1.861
  319    HZ1  LYS  40           3HZ      LYS  40  -1.723 -13.308   2.236
  320    HZ2  LYS  40           1HZ      LYS  40  -0.722 -13.875   3.401
  321    HZ3  LYS  40           2HZ      LYS  40  -1.880 -12.747   3.759
  322    H    THR  41           H        THR  41   2.259 -10.064   6.803
  323    HA   THR  41           HA       THR  41   3.550  -7.454   7.268
  324    HB   THR  41           HB       THR  41   4.459  -8.338   9.479
  325    HG1  THR  41           1HG      THR  41   2.995  -9.842  10.514
  326   HG21  THR  41          3HG2      THR  41   2.638  -7.584  10.860
  327   HG22  THR  41          1HG2      THR  41   2.858  -6.520   9.481
  328   HG23  THR  41          2HG2      THR  41   1.501  -7.678   9.487
  329    H    ASN  42           H        ASN  42   5.796  -7.544   7.554
  330    HA   ASN  42           HA       ASN  42   7.254 -10.035   6.984
  331    HB2  ASN  42           1HB      ASN  42   7.054  -7.698   5.041
  332    HB3  ASN  42           2HB      ASN  42   8.479  -8.717   5.081
  333   HD21  ASN  42          2HD2      ASN  42   5.656  -8.340   3.405
  334   HD22  ASN  42          1HD2      ASN  42   5.444  -9.998   2.881
  335    H    THR  43           H        THR  43   9.215 -10.043   7.982
  336    HA   THR  43           HA       THR  43  10.071  -7.669   9.526
  337    HB   THR  43           HB       THR  43  11.325 -10.437   9.489
  338    HG1  THR  43           1HG      THR  43   9.897 -10.997  11.040
  339   HG21  THR  43          3HG2      THR  43  11.846  -9.836  11.878
  340   HG22  THR  43          1HG2      THR  43  12.656  -8.782  10.719
  341   HG23  THR  43          2HG2      THR  43  11.209  -8.203  11.578
  342    H    ASN  44           H        ASN  44  12.091  -6.722   9.408
  343    HA   ASN  44           HA       ASN  44  13.633  -7.106   6.873
  344    HB2  ASN  44           1HB      ASN  44  13.388  -4.670   8.684
  345    HB3  ASN  44           2HB      ASN  44  14.324  -4.760   7.196
  346   HD21  ASN  44          2HD2      ASN  44  11.081  -4.660   8.540
  347   HD22  ASN  44          1HD2      ASN  44  10.281  -4.175   7.026
  348    H    ARG  45           H        ARG  45  15.921  -6.793   6.949
  349    HA   ARG  45           HA       ARG  45  17.294  -8.249   8.974
  350    HB2  ARG  45           1HB      ARG  45  18.464  -6.310   6.933
  351    HB3  ARG  45           2HB      ARG  45  19.347  -7.553   7.831
  352    HG2  ARG  45           1HG      ARG  45  17.879  -9.299   6.772
  353    HG3  ARG  45           2HG      ARG  45  17.138  -8.020   5.788
  354    HD2  ARG  45           1HD      ARG  45  19.353  -7.468   4.827
  355    HD3  ARG  45           2HD      ARG  45  20.105  -8.747   5.780
  356    HE   ARG  45           HE       ARG  45  18.465  -9.017   3.363
  357   HH11  ARG  45          1HH1      ARG  45  19.763 -10.833   6.112
  358   HH12  ARG  45          2HH1      ARG  45  19.604 -12.357   5.292
  359   HH21  ARG  45          1HH2      ARG  45  18.284 -11.011   2.372
  360   HH22  ARG  45          2HH2      ARG  45  18.776 -12.453   3.207
  361    H    ASN  46           H        ASN  46  16.577  -4.859   8.777
  362    HA   ASN  46           HA       ASN  46  18.460  -3.992  10.836
  363    HB2  ASN  46           1HB      ASN  46  16.069  -2.603   9.562
  364    HB3  ASN  46           2HB      ASN  46  17.251  -1.821  10.608
  365   HD21  ASN  46          2HD2      ASN  46  16.486  -1.638   7.560
  366   HD22  ASN  46          1HD2      ASN  46  18.068  -1.633   6.803
  367    H    GLY  47           H        GLY  47  15.628  -5.784  11.157
  368    HA2  GLY  47           1HA      GLY  47  14.643  -6.503  13.135
  369    HA3  GLY  47           2HA      GLY  47  15.362  -5.141  14.025
  370    H    SER  48           H        SER  48  13.919  -3.769  11.363
  371    HA   SER  48           HA       SER  48  11.411  -3.054  12.755
  372    HB2  SER  48           1HB      SER  48  11.137  -1.530  10.830
  373    HB3  SER  48           2HB      SER  48  12.659  -1.280  11.688
  374    HG   SER  48           HG       SER  48  13.161  -1.314   9.518
  375    H    LYS  49           H        LYS  49   9.380  -3.112  11.463
  376    HA   LYS  49           HA       LYS  49   9.173  -5.482   9.661
  377    HB2  LYS  49           1HB      LYS  49   8.564  -5.841  12.205
  378    HB3  LYS  49           2HB      LYS  49   7.096  -4.978  11.775
  379    HG2  LYS  49           1HG      LYS  49   6.697  -6.740   9.984
  380    HG3  LYS  49           2HG      LYS  49   8.100  -7.603  10.651
  381    HD2  LYS  49           1HD      LYS  49   6.850  -7.422  12.945
  382    HD3  LYS  49           2HD      LYS  49   5.451  -6.952  11.981
  383    HE2  LYS  49           1HE      LYS  49   5.170  -9.258  12.314
  384    HE3  LYS  49           2HE      LYS  49   5.791  -9.142  10.662
  385    HZ1  LYS  49           3HZ      LYS  49   6.911 -10.872  11.944
  386    HZ2  LYS  49           1HZ      LYS  49   7.993  -9.727  11.518
  387    HZ3  LYS  49           2HZ      LYS  49   7.424  -9.791  13.055
  388    H    ASP  50           H        ASP  50   7.502  -5.485   8.267
  389    HA   ASP  50           HA       ASP  50   6.382  -2.843   7.472
  390    HB2  ASP  50           1HB      ASP  50   6.737  -5.474   5.964
  391    HB3  ASP  50           2HB      ASP  50   6.064  -4.007   5.290
  392    H    TYR  51           H        TYR  51   4.184  -2.575   7.278
  393    HA   TYR  51           HA       TYR  51   2.373  -4.832   8.070
  394    HB2  TYR  51           1HB      TYR  51   2.479  -1.954   9.046
  395    HB3  TYR  51           2HB      TYR  51   1.209  -3.098   9.454
  396    HD1  TYR  51           2HD      TYR  51   4.779  -2.227   9.928
  397    HD2  TYR  51           1HD      TYR  51   1.525  -4.749  11.183
  398    HE1  TYR  51           2HE      TYR  51   6.059  -2.867  11.944
  399    HE2  TYR  51           1HE      TYR  51   2.791  -5.385  13.225
  400    HH   TYR  51           HH       TYR  51   4.733  -5.098  14.437
  401    H    GLY  52           H        GLY  52   0.251  -4.803   7.409
  402    HA2  GLY  52           1HA      GLY  52  -1.715  -3.986   6.503
  403    HA3  GLY  52           2HA      GLY  52  -0.910  -2.461   6.103
  404    H    LEU  53           H        LEU  53  -1.987  -2.407   4.148
  405    HA   LEU  53           HA       LEU  53  -1.643  -4.598   2.261
  406    HB2  LEU  53           1HB      LEU  53  -3.705  -2.853   2.750
  407    HB3  LEU  53           2HB      LEU  53  -2.864  -1.927   1.518
  408    HG   LEU  53           HG       LEU  53  -2.902  -4.286   0.223
  409   HD11  LEU  53          1HD1      LEU  53  -3.883  -5.499   2.101
  410   HD12  LEU  53          2HD1      LEU  53  -5.313  -4.437   2.063
  411   HD13  LEU  53          3HD1      LEU  53  -4.983  -5.501   0.702
  412   HD21  LEU  53          3HD2      LEU  53  -5.017  -3.717  -0.819
  413   HD22  LEU  53          1HD2      LEU  53  -5.340  -2.507   0.455
  414   HD23  LEU  53          2HD2      LEU  53  -3.970  -2.286  -0.662
  415    H    PHE  54           H        PHE  54  -0.065  -1.614   2.795
  416    HA   PHE  54           HA       PHE  54   1.407  -1.772   0.198
  417    HB2  PHE  54           1HB      PHE  54   0.995   0.590   2.072
  418    HB3  PHE  54           2HB      PHE  54   1.880   0.625   0.562
  419    HD1  PHE  54           2HD      PHE  54  -1.504   0.273   2.053
  420    HD2  PHE  54           1HD      PHE  54   0.763   0.893  -1.556
  421    HE1  PHE  54           2HE      PHE  54  -3.574   0.929   0.881
  422    HE2  PHE  54           1HE      PHE  54  -1.312   1.589  -2.722
  423    HZ   PHE  54           HZ       PHE  54  -3.487   1.593  -1.523
  424    H    GLN  55           H        GLN  55   1.800  -3.058   3.041
  425    HA   GLN  55           HA       GLN  55   3.434  -3.619   4.453
  426    HB2  GLN  55           1HB      GLN  55   4.556  -3.675   1.661
  427    HB3  GLN  55           2HB      GLN  55   5.734  -3.910   2.941
  428    HG2  GLN  55           1HG      GLN  55   4.716  -6.029   2.018
  429    HG3  GLN  55           2HG      GLN  55   4.678  -5.845   3.774
  430   HE21  GLN  55          2HE2      GLN  55   2.766  -6.679   4.563
  431   HE22  GLN  55          1HE2      GLN  55   1.207  -6.207   3.900
  432    H    ILE  56           H        ILE  56   2.990  -1.289   5.236
  433    HA   ILE  56           HA       ILE  56   5.121   0.676   4.778
  434    HB   ILE  56           HB       ILE  56   2.731   0.903   6.649
  435   HG12  ILE  56          1HG1      ILE  56   2.971   1.526   3.661
  436   HG13  ILE  56          2HG1      ILE  56   1.873   0.338   4.394
  437   HG21  ILE  56          1HG2      ILE  56   4.579   2.532   6.905
  438   HG22  ILE  56          2HG2      ILE  56   4.357   3.028   5.211
  439   HG23  ILE  56          3HG2      ILE  56   3.067   3.277   6.416
  440   HD11  ILE  56          3HD1      ILE  56   0.513   2.152   3.813
  441   HD12  ILE  56          1HD1      ILE  56   0.752   2.332   5.566
  442   HD13  ILE  56          2HD1      ILE  56   1.678   3.333   4.412
  443    H    ASN  57           H        ASN  57   6.765   1.171   6.152
  444    HA   ASN  57           HA       ASN  57   7.260  -0.822   8.231
  445    HB2  ASN  57           1HB      ASN  57   8.838  -0.370   6.391
  446    HB3  ASN  57           2HB      ASN  57   9.081   1.265   7.028
  447   HD21  ASN  57          2HD2      ASN  57   9.848  -2.128   7.412
  448   HD22  ASN  57          1HD2      ASN  57  11.037  -1.890   8.701
  449    H    ASP  58           H        ASP  58   7.512  -0.529  10.300
  450    HA   ASP  58           HA       ASP  58   6.372   1.630  11.675
  451    HB2  ASP  58           1HB      ASP  58   6.872   0.482  13.636
  452    HB3  ASP  58           2HB      ASP  58   6.618  -0.765  12.426
  453    H    ARG  59           H        ARG  59   9.548   1.628  10.451
  454    HA   ARG  59           HA       ARG  59  10.733   3.312  12.546
  455    HB2  ARG  59           1HB      ARG  59  11.847   1.427  11.287
  456    HB3  ARG  59           2HB      ARG  59  11.890   2.484   9.866
  457    HG2  ARG  59           1HG      ARG  59  13.319   4.079  11.041
  458    HG3  ARG  59           2HG      ARG  59  13.088   3.209  12.570
  459    HD2  ARG  59           1HD      ARG  59  14.174   1.196  11.508
  460    HD3  ARG  59           2HD      ARG  59  14.523   2.180  10.087
  461    HE   ARG  59           HE       ARG  59  15.523   2.647  12.870
  462   HH11  ARG  59          1HH1      ARG  59  16.063   3.178   9.395
  463   HH12  ARG  59          2HH1      ARG  59  17.627   3.886   9.670
  464   HH21  ARG  59          1HH2      ARG  59  17.555   3.549  13.121
  465   HH22  ARG  59          2HH2      ARG  59  18.450   4.101  11.739
  466    H    TYR  60           H        TYR  60   8.928   3.904   9.646
  467    HA   TYR  60           HA       TYR  60  10.107   6.664   9.356
  468    HB2  TYR  60           1HB      TYR  60   9.203   4.748   7.188
  469    HB3  TYR  60           2HB      TYR  60   9.905   6.326   6.931
  470    HD1  TYR  60           1HD      TYR  60  12.303   6.438   8.579
  471    HD2  TYR  60           2HD      TYR  60  10.610   3.034   6.542
  472    HE1  TYR  60           1HE      TYR  60  14.524   5.328   8.587
  473    HE2  TYR  60           2HE      TYR  60  12.826   1.920   6.551
  474    HH   TYR  60           HH       TYR  60  15.042   2.080   7.141
  475    H    TRP  61           H        TRP  61   7.196   4.788   8.386
  476    HA   TRP  61           HA       TRP  61   5.771   7.381   7.971
  477    HB2  TRP  61           1HB      TRP  61   5.146   4.632   6.925
  478    HB3  TRP  61           2HB      TRP  61   4.486   6.130   6.340
  479    HD1  TRP  61           HD       TRP  61   6.929   3.617   5.519
  480    HE1  TRP  61           1HE      TRP  61   8.607   4.392   3.743
  481    HE3  TRP  61           3HE      TRP  61   5.993   8.654   5.661
  482    HZ2  TRP  61           2HZ      TRP  61   9.346   6.856   2.442
  483    HZ3  TRP  61           3HZ      TRP  61   7.158  10.183   4.105
  484    HH2  TRP  61           HH       TRP  61   8.836   9.304   2.491
  485    H    CYS  62           H        CYS  62   5.061   4.058   9.147
  486    HA   CYS  62           HA       CYS  62   2.936   5.106  10.959
  487    HB2  CYS  62           1HB      CYS  62   2.412   2.683  11.267
  488    HB3  CYS  62           2HB      CYS  62   2.093   3.324   9.662
  489    H    SER  63           H        SER  63   2.874   3.944  13.125
  490    HA   SER  63           HA       SER  63   5.615   3.423  14.224
  491    HB2  SER  63           1HB      SER  63   4.214   5.644  14.801
  492    HB3  SER  63           2HB      SER  63   3.440   4.550  15.936
  493    HG   SER  63           HG       SER  63   5.284   5.449  16.932
  494    H    LYS  64           H        LYS  64   5.854   1.766  15.648
  495    HA   LYS  64           HA       LYS  64   3.691  -0.245  15.742
  496    HB2  LYS  64           1HB      LYS  64   5.412  -1.763  16.548
  497    HB3  LYS  64           2HB      LYS  64   5.829  -1.036  15.007
  498    HG2  LYS  64           1HG      LYS  64   7.541   0.278  15.919
  499    HG3  LYS  64           2HG      LYS  64   6.819   0.324  17.525
  500    HD2  LYS  64           1HD      LYS  64   7.377  -1.951  17.982
  501    HD3  LYS  64           2HD      LYS  64   8.029  -2.210  16.344
  502    HE2  LYS  64           1HE      LYS  64   9.024   0.068  18.053
  503    HE3  LYS  64           2HE      LYS  64   9.602  -1.567  18.420
  504    HZ1  LYS  64           3HZ      LYS  64  11.054  -0.333  16.840
  505    HZ2  LYS  64           1HZ      LYS  64  10.506  -1.743  16.222
  506    HZ3  LYS  64           2HZ      LYS  64   9.849  -0.338  15.721
  507    H    GLY  65           H        GLY  65   4.726   2.170  17.860
  508    HA2  GLY  65           1HA      GLY  65   4.351   0.778  20.402
  509    HA3  GLY  65           2HA      GLY  65   4.519   2.522  20.155
  510    H    ALA  66           H        ALA  66   2.814   2.194  21.979
  511    HA   ALA  66           HA       ALA  66   0.244   1.136  21.404
  512    HB1  ALA  66           1HB      ALA  66   1.261   1.305  23.652
  513    HB2  ALA  66           2HB      ALA  66   1.128   3.080  23.585
  514    HB3  ALA  66           3HB      ALA  66  -0.334   2.073  23.610
  515    H    SER  67           H        SER  67   1.347   3.897  19.981
  516    HA   SER  67           HA       SER  67  -1.284   5.149  19.594
  517    HB2  SER  67           1HB      SER  67  -0.427   6.037  21.765
  518    HB3  SER  67           2HB      SER  67   1.026   6.615  20.934
  519    HG   SER  67           HG       SER  67  -0.589   8.256  21.183
  520    HA   PRO  68           HA       PRO  68   0.814   5.986  15.685
  521    HB2  PRO  68           1HB      PRO  68  -0.666   8.120  14.728
  522    HB3  PRO  68           2HB      PRO  68  -1.275   6.438  14.755
  523    HG2  PRO  68           1HG      PRO  68  -1.782   8.615  16.793
  524    HG3  PRO  68           2HG      PRO  68  -2.976   7.545  15.986
  525    HD2  PRO  68           1HD      PRO  68  -2.048   6.957  18.438
  526    HD3  PRO  68           2HD      PRO  68  -2.261   5.656  17.234
  527    H    GLY  69           H        GLY  69   2.389   7.570  14.804
  528    HA2  GLY  69           1HA      GLY  69   2.897  10.128  15.932
  529    HA3  GLY  69           2HA      GLY  69   3.680   8.962  16.971
  530    H    LYS  70           H        LYS  70   3.532   8.715  13.405
  531    HA   LYS  70           HA       LYS  70   6.321   9.738  13.198
  532    HB2  LYS  70           1HB      LYS  70   5.384   7.122  11.959
  533    HB3  LYS  70           2HB      LYS  70   6.849   7.995  11.498
  534    HG2  LYS  70           1HG      LYS  70   7.297   7.960  14.139
  535    HG3  LYS  70           2HG      LYS  70   6.243   6.543  14.031
  536    HD2  LYS  70           1HD      LYS  70   7.837   5.517  12.415
  537    HD3  LYS  70           2HD      LYS  70   8.777   7.012  12.403
  538    HE2  LYS  70           1HE      LYS  70   9.931   5.501  13.850
  539    HE3  LYS  70           2HE      LYS  70   9.211   6.765  14.852
  540    HZ1  LYS  70           3HZ      LYS  70   8.858   4.580  15.817
  541    HZ2  LYS  70           1HZ      LYS  70   7.397   5.172  15.377
  542    HZ3  LYS  70           2HZ      LYS  70   8.141   4.032  14.449
  543    H    ASP  71           H        ASP  71   6.552   9.476  10.397
  544    HA   ASP  71           HA       ASP  71   5.717  12.059   9.797
  545    HB2  ASP  71           1HB      ASP  71   7.561  10.763   8.715
  546    HB3  ASP  71           2HB      ASP  71   6.353   9.885   7.773
  547    H    CYS  72           H        CYS  72   3.897   9.091   9.084
  548    HA   CYS  72           HA       CYS  72   1.779  10.691   7.711
  549    HB2  CYS  72           1HB      CYS  72   2.227   7.710   7.854
  550    HB3  CYS  72           2HB      CYS  72   0.932   8.525   6.977
  551    H    ASN  73           H        ASN  73   2.409  10.051  10.843
  552    HA   ASN  73           HA       ASN  73   1.207  10.054  12.730
  553    HB2  ASN  73           1HB      ASN  73   0.704  12.234  11.573
  554    HB3  ASN  73           2HB      ASN  73  -0.836  11.556  11.039
  555   HD21  ASN  73          2HD2      ASN  73   1.118  12.052  14.065
  556   HD22  ASN  73          1HD2      ASN  73  -0.277  12.412  15.063
  557    H    VAL  74           H        VAL  74   1.047   7.644  11.766
  558    HA   VAL  74           HA       VAL  74  -1.637   6.617  12.442
  559    HB   VAL  74           HB       VAL  74  -1.604   7.039  10.002
  560   HG11  VAL  74          1HG1      VAL  74   0.807   6.627   9.540
  561   HG12  VAL  74          2HG1      VAL  74   0.552   4.897   9.847
  562   HG13  VAL  74          3HG1      VAL  74  -0.257   5.684   8.484
  563   HG21  VAL  74          3HG2      VAL  74  -2.530   4.934   9.324
  564   HG22  VAL  74          1HG2      VAL  74  -1.711   4.071  10.637
  565   HG23  VAL  74          2HG2      VAL  74  -2.999   5.245  11.004
  566    H    LYS  75           H        LYS  75  -1.662   4.401  12.985
  567    HA   LYS  75           HA       LYS  75   0.894   3.458  14.193
  568    HB2  LYS  75           1HB      LYS  75  -1.095   4.159  15.538
  569    HB3  LYS  75           2HB      LYS  75  -2.002   2.813  14.835
  570    HG2  LYS  75           1HG      LYS  75  -0.378   1.236  15.892
  571    HG3  LYS  75           2HG      LYS  75   0.490   2.637  16.585
  572    HD2  LYS  75           1HD      LYS  75  -1.309   3.201  18.013
  573    HD3  LYS  75           2HD      LYS  75  -2.496   2.333  17.045
  574    HE2  LYS  75           1HE      LYS  75  -1.520   0.165  17.752
  575    HE3  LYS  75           2HE      LYS  75  -0.372   1.023  18.779
  576    HZ1  LYS  75           3HZ      LYS  75  -2.334   0.285  20.023
  577    HZ2  LYS  75           1HZ      LYS  75  -2.261   1.920  20.039
  578    HZ3  LYS  75           2HZ      LYS  75  -3.328   1.151  19.063
  579    H    CYS  76           H        CYS  76   1.727   1.473  13.652
  580    HA   CYS  76           HA       CYS  76   1.209   0.118  11.279
  581    HB2  CYS  76           1HB      CYS  76   2.285  -1.021  13.894
  582    HB3  CYS  76           2HB      CYS  76   2.477  -1.747  12.305
  583    H    SER  77           H        SER  77  -0.323  -0.549  14.434
  584    HA   SER  77           HA       SER  77  -1.677  -2.969  13.613
  585    HB2  SER  77           1HB      SER  77  -1.106  -2.256  15.967
  586    HB3  SER  77           2HB      SER  77  -2.450  -1.102  15.875
  587    HG   SER  77           HG       SER  77  -3.051  -3.140  16.823
  588    H    ASP  78           H        ASP  78  -2.641   0.484  13.384
  589    HA   ASP  78           HA       ASP  78  -5.396  -0.073  12.627
  590    HB2  ASP  78           1HB      ASP  78  -3.589   2.351  12.643
  591    HB3  ASP  78           2HB      ASP  78  -5.037   2.376  11.665
  592    H    LEU  79           H        LEU  79  -2.411  -0.503  10.987
  593    HA   LEU  79           HA       LEU  79  -3.594  -0.239   8.294
  594    HB2  LEU  79           1HB      LEU  79  -0.942  -1.530   8.976
  595    HB3  LEU  79           2HB      LEU  79  -1.477  -0.831   7.455
  596    HG   LEU  79           HG       LEU  79  -0.707   0.673   9.984
  597   HD11  LEU  79          1HD1      LEU  79   1.167  -0.167   8.674
  598   HD12  LEU  79          2HD1      LEU  79   0.474   0.510   7.185
  599   HD13  LEU  79          3HD1      LEU  79   1.051   1.588   8.471
  600   HD21  LEU  79          3HD2      LEU  79  -1.032   2.756   8.656
  601   HD22  LEU  79          1HD2      LEU  79  -1.780   1.788   7.376
  602   HD23  LEU  79          2HD2      LEU  79  -2.561   1.921   8.963
  603    H    LEU  80           H        LEU  80  -3.592  -2.608  10.754
  604    HA   LEU  80           HA       LEU  80  -3.848  -4.904   8.909
  605    HB2  LEU  80           1HB      LEU  80  -3.768  -4.860  11.940
  606    HB3  LEU  80           2HB      LEU  80  -3.645  -6.276  10.905
  607    HG   LEU  80           HG       LEU  80  -1.590  -4.047  11.112
  608   HD11  LEU  80          1HD1      LEU  80  -1.730  -5.509  13.103
  609   HD12  LEU  80          2HD1      LEU  80  -1.539  -6.943  12.070
  610   HD13  LEU  80          3HD1      LEU  80  -0.215  -5.772  12.227
  611   HD21  LEU  80          3HD2      LEU  80  -0.127  -5.555   9.760
  612   HD22  LEU  80          1HD2      LEU  80  -1.521  -6.615   9.473
  613   HD23  LEU  80          2HD2      LEU  80  -1.512  -4.945   8.856
  614    H    THR  81           H        THR  81  -5.990  -2.705   9.649
  615    HA   THR  81           HA       THR  81  -8.167  -4.344  10.770
  616    HB   THR  81           HB       THR  81  -7.561  -2.076  11.588
  617    HG1  THR  81           1HG      THR  81  -9.722  -1.578  11.904
  618   HG21  THR  81          3HG2      THR  81  -8.165  -0.107  10.474
  619   HG22  THR  81          1HG2      THR  81  -7.340  -1.044   9.225
  620   HG23  THR  81          2HG2      THR  81  -9.112  -0.960   9.230
  621    H    ASP  82           H        ASP  82 -10.411  -3.421   9.709
  622    HA   ASP  82           HA       ASP  82 -10.485  -4.997   7.229
  623    HB2  ASP  82           1HB      ASP  82 -12.794  -5.218   7.613
  624    HB3  ASP  82           2HB      ASP  82 -12.003  -5.386   9.176
  625    H    ASP  83           H        ASP  83 -10.143  -1.791   7.749
  626    HA   ASP  83           HA       ASP  83 -11.046  -1.163   4.969
  627    HB2  ASP  83           1HB      ASP  83 -12.466   0.012   6.673
  628    HB3  ASP  83           2HB      ASP  83 -11.026   0.873   7.218
  629    H    ILE  84           H        ILE  84  -9.452  -0.712   3.702
  630    HA   ILE  84           HA       ILE  84  -6.705  -0.725   4.549
  631    HB   ILE  84           HB       ILE  84  -6.165  -0.611   2.231
  632   HG12  ILE  84          1HG1      ILE  84  -9.022   0.306   1.671
  633   HG13  ILE  84          2HG1      ILE  84  -7.583   1.323   1.647
  634   HG21  ILE  84          1HG2      ILE  84  -7.352  -2.701   3.047
  635   HG22  ILE  84          2HG2      ILE  84  -8.836  -2.089   2.317
  636   HG23  ILE  84          3HG2      ILE  84  -7.437  -2.462   1.305
  637   HD11  ILE  84          3HD1      ILE  84  -8.190   0.798  -0.592
  638   HD12  ILE  84          1HD1      ILE  84  -6.629   0.031  -0.194
  639   HD13  ILE  84          2HD1      ILE  84  -8.124  -0.943  -0.275
  640    H    THR  85           H        THR  85  -8.915   1.868   4.435
  641    HA   THR  85           HA       THR  85  -7.591   3.985   3.285
  642    HB   THR  85           HB       THR  85  -9.896   3.963   3.977
  643    HG1  THR  85           1HG      THR  85  -9.954   6.120   4.473
  644   HG21  THR  85          3HG2      THR  85 -10.622   4.508   6.194
  645   HG22  THR  85          1HG2      THR  85  -9.571   3.091   6.327
  646   HG23  THR  85          2HG2      THR  85  -8.952   4.697   6.774
  647    H    LYS  86           H        LYS  86  -7.003   2.911   6.634
  648    HA   LYS  86           HA       LYS  86  -5.320   5.136   7.337
  649    HB2  LYS  86           1HB      LYS  86  -5.523   2.294   8.390
  650    HB3  LYS  86           2HB      LYS  86  -4.489   3.520   9.114
  651    HG2  LYS  86           1HG      LYS  86  -6.173   4.414  10.262
  652    HG3  LYS  86           2HG      LYS  86  -7.116   4.697   8.797
  653    HD2  LYS  86           1HD      LYS  86  -7.940   2.354   8.877
  654    HD3  LYS  86           2HD      LYS  86  -7.057   2.097  10.385
  655    HE2  LYS  86           1HE      LYS  86  -9.280   4.147   9.972
  656    HE3  LYS  86           2HE      LYS  86  -9.484   2.557  10.712
  657    HZ1  LYS  86           3HZ      LYS  86  -9.217   4.191  12.427
  658    HZ2  LYS  86           1HZ      LYS  86  -7.874   3.253  12.447
  659    HZ3  LYS  86           2HZ      LYS  86  -7.821   4.755  11.799
  660    H    ALA  87           H        ALA  87  -4.643   2.225   5.490
  661    HA   ALA  87           HA       ALA  87  -1.722   2.783   5.386
  662    HB1  ALA  87           1HB      ALA  87  -2.688   0.420   5.605
  663    HB2  ALA  87           2HB      ALA  87  -3.341   0.612   3.962
  664    HB3  ALA  87           3HB      ALA  87  -1.583   0.670   4.247
  665    H    ALA  88           H        ALA  88  -4.612   2.823   3.303
  666    HA   ALA  88           HA       ALA  88  -3.284   3.458   0.892
  667    HB1  ALA  88           1HB      ALA  88  -5.599   2.487   1.251
  668    HB2  ALA  88           2HB      ALA  88  -6.158   4.130   1.655
  669    HB3  ALA  88           3HB      ALA  88  -5.507   3.762   0.048
  670    H    LYS  89           H        LYS  89  -4.778   5.720   3.278
  671    HA   LYS  89           HA       LYS  89  -4.091   8.099   1.763
  672    HB2  LYS  89           1HB      LYS  89  -4.792   7.599   4.672
  673    HB3  LYS  89           2HB      LYS  89  -4.516   9.212   3.992
  674    HG2  LYS  89           1HG      LYS  89  -6.338   8.905   2.375
  675    HG3  LYS  89           2HG      LYS  89  -6.636   7.261   2.970
  676    HD2  LYS  89           1HD      LYS  89  -7.248   8.120   5.178
  677    HD3  LYS  89           2HD      LYS  89  -6.873   9.785   4.669
  678    HE2  LYS  89           1HE      LYS  89  -8.621   9.667   2.926
  679    HE3  LYS  89           2HE      LYS  89  -8.967   7.990   3.365
  680    HZ1  LYS  89           3HZ      LYS  89 -10.542   9.512   4.400
  681    HZ2  LYS  89           1HZ      LYS  89  -9.658   8.777   5.562
  682    HZ3  LYS  89           2HZ      LYS  89  -9.345  10.331   5.153
  683    H    CYS  90           H        CYS  90  -2.345   6.195   4.176
  684    HA   CYS  90           HA       CYS  90  -0.080   8.011   4.466
  685    HB2  CYS  90           1HB      CYS  90  -0.577   6.401   6.164
  686    HB3  CYS  90           2HB      CYS  90  -0.528   5.057   5.020
  687    H    ALA  91           H        ALA  91  -0.802   5.250   2.288
  688    HA   ALA  91           HA       ALA  91   1.620   5.294   0.822
  689    HB1  ALA  91           1HB      ALA  91  -0.073   3.484   0.790
  690    HB2  ALA  91           2HB      ALA  91  -1.179   4.538  -0.104
  691    HB3  ALA  91           3HB      ALA  91   0.350   4.037  -0.846
  692    H    LYS  92           H        LYS  92  -1.390   7.306   0.261
  693    HA   LYS  92           HA       LYS  92  -0.322   8.636  -2.019
  694    HB2  LYS  92           1HB      LYS  92  -2.057  10.010   0.042
  695    HB3  LYS  92           2HB      LYS  92  -1.892  10.365  -1.676
  696    HG2  LYS  92           1HG      LYS  92  -3.338   8.090  -0.351
  697    HG3  LYS  92           2HG      LYS  92  -4.007   9.363  -1.321
  698    HD2  LYS  92           1HD      LYS  92  -2.292   7.043  -2.292
  699    HD3  LYS  92           2HD      LYS  92  -4.029   7.243  -2.484
  700    HE2  LYS  92           1HE      LYS  92  -3.867   8.923  -4.091
  701    HE3  LYS  92           2HE      LYS  92  -2.190   9.324  -3.662
  702    HZ1  LYS  92           3HZ      LYS  92  -2.293   8.062  -5.713
  703    HZ2  LYS  92           1HZ      LYS  92  -1.527   7.169  -4.568
  704    HZ3  LYS  92           2HZ      LYS  92  -3.070   6.814  -4.968
  705    H    LYS  93           H        LYS  93   0.111   9.438   1.459
  706    HA   LYS  93           HA       LYS  93   1.672  11.793   0.936
  707    HB2  LYS  93           1HB      LYS  93   0.476  11.288   3.078
  708    HB3  LYS  93           2HB      LYS  93   1.734  10.096   3.460
  709    HG2  LYS  93           1HG      LYS  93   3.457  11.860   3.409
  710    HG3  LYS  93           2HG      LYS  93   2.265  13.041   2.842
  711    HD2  LYS  93           1HD      LYS  93   1.047  12.792   5.015
  712    HD3  LYS  93           2HD      LYS  93   2.338  11.692   5.569
  713    HE2  LYS  93           1HE      LYS  93   4.026  13.461   5.195
  714    HE3  LYS  93           2HE      LYS  93   2.771  14.558   4.599
  715    HZ1  LYS  93           3HZ      LYS  93   3.282  15.014   6.904
  716    HZ2  LYS  93           1HZ      LYS  93   1.750  14.449   6.822
  717    HZ3  LYS  93           2HZ      LYS  93   2.966  13.476   7.352
  718    H    ILE  94           H        ILE  94   2.622   8.404   1.014
  719    HA   ILE  94           HA       ILE  94   5.496   8.999   0.771
  720    HB   ILE  94           HB       ILE  94   3.921   6.483   0.086
  721   HG12  ILE  94          1HG1      ILE  94   5.727   7.026   2.478
  722   HG13  ILE  94          2HG1      ILE  94   3.989   7.223   2.559
  723   HG21  ILE  94          1HG2      ILE  94   5.992   6.590  -1.205
  724   HG22  ILE  94          2HG2      ILE  94   6.909   7.082   0.230
  725   HG23  ILE  94          3HG2      ILE  94   6.227   5.438   0.107
  726   HD11  ILE  94          3HD1      ILE  94   4.511   5.080   3.476
  727   HD12  ILE  94          1HD1      ILE  94   3.687   4.818   1.930
  728   HD13  ILE  94          2HD1      ILE  94   5.452   4.610   2.051
  729    H    TYR  95           H        TYR  95   2.897   8.202  -1.579
  730    HA   TYR  95           HA       TYR  95   4.431   8.316  -3.910
  731    HB2  TYR  95           1HB      TYR  95   2.448   7.386  -4.293
  732    HB3  TYR  95           2HB      TYR  95   1.571   8.421  -3.186
  733    HD1  TYR  95           2HD      TYR  95   0.955  10.802  -3.896
  734    HD2  TYR  95           1HD      TYR  95   2.206   7.722  -6.641
  735    HE1  TYR  95           2HE      TYR  95  -0.073  12.061  -5.773
  736    HE2  TYR  95           1HE      TYR  95   1.222   9.003  -8.528
  737    HH   TYR  95           HH       TYR  95  -0.469  12.131  -8.043
  738    H    LYS  96           H        LYS  96   3.214  11.044  -2.080
  739    HA   LYS  96           HA       LYS  96   3.689  13.202  -3.863
  740    HB2  LYS  96           1HB      LYS  96   3.948  12.798  -0.865
  741    HB3  LYS  96           2HB      LYS  96   4.299  14.364  -1.603
  742    HG2  LYS  96           1HG      LYS  96   2.026  14.431  -2.605
  743    HG3  LYS  96           2HG      LYS  96   1.628  12.911  -1.792
  744    HD2  LYS  96           1HD      LYS  96   2.136  14.007   0.413
  745    HD3  LYS  96           2HD      LYS  96   2.402  15.535  -0.426
  746    HE2  LYS  96           1HE      LYS  96  -0.208  13.938  -0.494
  747    HE3  LYS  96           2HE      LYS  96   0.118  15.265   0.624
  748    HZ1  LYS  96           3HZ      LYS  96  -1.106  16.051  -1.293
  749    HZ2  LYS  96           1HZ      LYS  96   0.371  16.743  -1.291
  750    HZ3  LYS  96           2HZ      LYS  96   0.037  15.525  -2.332
  751    H    ARG  97           H        ARG  97   6.056  11.203  -2.180
  752    HA   ARG  97           HA       ARG  97   8.314  12.925  -3.159
  753    HB2  ARG  97           1HB      ARG  97   8.262  10.820  -0.957
  754    HB3  ARG  97           2HB      ARG  97   9.658  11.775  -1.437
  755    HG2  ARG  97           1HG      ARG  97   7.096  12.816  -0.149
  756    HG3  ARG  97           2HG      ARG  97   8.666  12.640   0.619
  757    HD2  ARG  97           1HD      ARG  97   7.975  14.570  -1.640
  758    HD3  ARG  97           2HD      ARG  97   8.193  14.992   0.049
  759    HE   ARG  97           HE       ARG  97  10.262  14.494  -1.944
  760   HH11  ARG  97          1HH1      ARG  97   9.713  14.593   1.553
  761   HH12  ARG  97          2HH1      ARG  97  11.397  14.858   1.896
  762   HH21  ARG  97          1HH2      ARG  97  12.411  14.821  -1.427
  763   HH22  ARG  97          2HH2      ARG  97  12.897  14.982   0.232
  764    H    HIS  98           H        HIS  98   7.066   9.611  -3.025
  765    HA   HIS  98           HA       HIS  98   8.805   8.775  -5.308
  766    HB2  HIS  98           1HB      HIS  98   8.514   7.389  -2.615
  767    HB3  HIS  98           2HB      HIS  98   9.324   6.701  -4.021
  768    HD2  HIS  98           2HD      HIS  98   9.981   8.750  -0.988
  769    HE1  HIS  98           1HE      HIS  98  13.412   9.336  -3.439
  770    HE2  HIS  98           2HE      HIS  98  12.444   9.673  -1.106
  771    H    ARG  99           H        ARG  99   6.908   8.834  -6.616
  772    HA   ARG  99           HA       ARG  99   4.391   8.034  -6.049
  773    HB2  ARG  99           1HB      ARG  99   3.888   7.891  -8.326
  774    HB3  ARG  99           2HB      ARG  99   4.840   9.305  -7.879
  775    HG2  ARG  99           1HG      ARG  99   6.883   8.224  -8.852
  776    HG3  ARG  99           2HG      ARG  99   5.878   6.822  -9.332
  777    HD2  ARG  99           1HD      ARG  99   4.348   8.352 -10.503
  778    HD3  ARG  99           2HD      ARG  99   5.384   9.720 -10.068
  779    HE   ARG  99           HE       ARG  99   7.024   7.833 -11.395
  780   HH11  ARG  99          1HH1      ARG  99   4.309   9.916 -12.296
  781   HH12  ARG  99          2HH1      ARG  99   4.808  10.000 -13.959
  782   HH21  ARG  99          1HH2      ARG  99   7.611   7.986 -13.554
  783   HH22  ARG  99          2HH2      ARG  99   6.652   8.925 -14.657
  784    H    PHE 100           H        PHE 100   6.831   5.816  -7.378
  785    HA   PHE 100           HA       PHE 100   5.368   3.527  -6.165
  786    HB2  PHE 100           1HB      PHE 100   6.565   3.455  -8.951
  787    HB3  PHE 100           2HB      PHE 100   5.752   2.149  -8.098
  788    HD1  PHE 100           1HD      PHE 100   3.273   2.685  -7.276
  789    HD2  PHE 100           2HD      PHE 100   5.287   4.656 -10.539
  790    HE1  PHE 100           1HE      PHE 100   1.090   3.354  -8.217
  791    HE2  PHE 100           2HE      PHE 100   3.092   5.336 -11.475
  792    HZ   PHE 100           HZ       PHE 100   0.988   4.691 -10.313
  793    H    ASP 101           H        ASP 101   8.323   5.197  -6.594
  794    HA   ASP 101           HA       ASP 101  10.154   3.020  -6.682
  795    HB2  ASP 101           1HB      ASP 101  10.533   5.308  -7.564
  796    HB3  ASP 101           2HB      ASP 101  10.567   5.937  -5.918
  797    H    ALA 102           H        ALA 102   8.486   4.358  -3.979
  798    HA   ALA 102           HA       ALA 102  10.380   3.607  -1.896
  799    HB1  ALA 102           1HB      ALA 102   8.744   5.386  -1.547
  800    HB2  ALA 102           2HB      ALA 102   7.401   4.250  -1.832
  801    HB3  ALA 102           3HB      ALA 102   8.446   4.066  -0.410
  802    H    TRP 103           H        TRP 103   8.455   1.723  -3.947
  803    HA   TRP 103           HA       TRP 103   8.312  -0.560  -2.015
  804    HB2  TRP 103           1HB      TRP 103   6.521   0.216  -4.348
  805    HB3  TRP 103           2HB      TRP 103   6.413  -1.309  -3.482
  806    HD1  TRP 103           HD       TRP 103   5.617  -1.258  -0.942
  807    HE1  TRP 103           1HE      TRP 103   4.097   0.320   0.343
  808    HE3  TRP 103           3HE      TRP 103   5.863   2.791  -4.059
  809    HZ2  TRP 103           2HZ      TRP 103   2.966   2.979  -0.013
  810    HZ3  TRP 103           3HZ      TRP 103   4.546   4.832  -3.571
  811    HH2  TRP 103           HH       TRP 103   3.057   4.920  -1.578
  812    H    TYR 104           H        TYR 104   8.939  -2.526  -2.572
  813    HA   TYR 104           HA       TYR 104  10.972  -2.617  -4.700
  814    HB2  TYR 104           1HB      TYR 104  11.357  -3.271  -2.279
  815    HB3  TYR 104           2HB      TYR 104  10.342  -4.682  -2.568
  816    HD1  TYR 104           2HD      TYR 104  13.410  -2.885  -3.643
  817    HD2  TYR 104           1HD      TYR 104  11.256  -6.611  -3.720
  818    HE1  TYR 104           2HE      TYR 104  15.411  -4.017  -4.638
  819    HE2  TYR 104           1HE      TYR 104  13.241  -7.753  -4.704
  820    HH   TYR 104           HH       TYR 104  15.411  -7.518  -5.443
  821    H    GLY 105           H        GLY 105   7.850  -4.141  -3.942
  822    HA2  GLY 105           1HA      GLY 105   8.027  -6.292  -5.824
  823    HA3  GLY 105           2HA      GLY 105   6.535  -5.611  -5.124
  824    H    TRP 106           H        TRP 106   6.881  -2.941  -6.189
  825    HA   TRP 106           HA       TRP 106   5.774  -3.259  -8.797
  826    HB2  TRP 106           1HB      TRP 106   5.178  -1.396  -7.447
  827    HB3  TRP 106           2HB      TRP 106   6.848  -0.869  -7.283
  828    HD1  TRP 106           HD       TRP 106   3.907  -0.744  -9.708
  829    HE1  TRP 106           1HE      TRP 106   4.435   0.858 -11.639
  830    HE3  TRP 106           3HE      TRP 106   8.790   0.238  -8.580
  831    HZ2  TRP 106           2HZ      TRP 106   6.727   2.404 -12.563
  832    HZ3  TRP 106           3HZ      TRP 106  10.146   1.719 -10.005
  833    HH2  TRP 106           HH       TRP 106   9.126   2.828 -12.003
  834    H    LYS 107           H        LYS 107   9.095  -2.350  -7.800
  835    HA   LYS 107           HA       LYS 107  10.029  -2.315 -10.581
  836    HB2  LYS 107           1HB      LYS 107  12.256  -1.932  -9.597
  837    HB3  LYS 107           2HB      LYS 107  11.026  -0.762  -9.131
  838    HG2  LYS 107           1HG      LYS 107  10.753  -1.882  -6.952
  839    HG3  LYS 107           2HG      LYS 107  11.969  -3.092  -7.411
  840    HD2  LYS 107           1HD      LYS 107  12.977  -1.474  -5.941
  841    HD3  LYS 107           2HD      LYS 107  13.665  -1.262  -7.559
  842    HE2  LYS 107           1HE      LYS 107  12.163   0.657  -7.968
  843    HE3  LYS 107           2HE      LYS 107  11.372   0.407  -6.404
  844    HZ1  LYS 107           3HZ      LYS 107  13.093   2.169  -6.430
  845    HZ2  LYS 107           1HZ      LYS 107  13.394   1.016  -5.300
  846    HZ3  LYS 107           2HZ      LYS 107  14.250   1.054  -6.703
  847    H    ASN 108           H        ASN 108   9.405  -4.863  -8.410
  848    HA   ASN 108           HA       ASN 108  11.321  -6.718  -9.623
  849    HB2  ASN 108           1HB      ASN 108  10.664  -6.859  -7.239
  850    HB3  ASN 108           2HB      ASN 108   9.010  -7.249  -7.725
  851   HD21  ASN 108          2HD2      ASN 108  12.393  -8.421  -7.751
  852   HD22  ASN 108          1HD2      ASN 108  11.961 -10.101  -8.016
  853    H    HIS 109           H        HIS 109   7.778  -6.087  -9.979
  854    HA   HIS 109           HA       HIS 109   7.876  -7.780 -12.437
  855    HB2  HIS 109           1HB      HIS 109   6.430  -9.323 -11.757
  856    HB3  HIS 109           2HB      HIS 109   7.109  -8.944 -10.188
  857    HD2  HIS 109           2HD      HIS 109   5.342  -6.401  -9.373
  858    HE1  HIS 109           1HE      HIS 109   1.966  -8.876 -10.093
  859    HE2  HIS 109           2HE      HIS 109   2.778  -6.747  -8.954
  860    H    CYS 110           H        CYS 110   6.530  -4.826 -11.212
  861    HA   CYS 110           HA       CYS 110   4.320  -4.771 -13.146
  862    HB2  CYS 110           1HB      CYS 110   5.535  -2.509 -11.524
  863    HB3  CYS 110           2HB      CYS 110   4.046  -2.448 -12.428
  864    H    GLN 111           H        GLN 111   7.622  -4.469 -13.601
  865    HA   GLN 111           HA       GLN 111   7.639  -2.255 -15.503
  866    HB2  GLN 111           1HB      GLN 111   9.787  -4.353 -14.991
  867    HB3  GLN 111           2HB      GLN 111   9.994  -2.774 -15.744
  868    HG2  GLN 111           1HG      GLN 111   9.366  -3.349 -12.817
  869    HG3  GLN 111           2HG      GLN 111  10.860  -2.714 -13.478
  870   HE21  GLN 111          2HE2      GLN 111   8.092  -1.758 -11.836
  871   HE22  GLN 111          1HE2      GLN 111   8.149  -0.064 -12.306
  872    H    GLY 112           H        GLY 112   7.172  -5.734 -15.782
  873    HA2  GLY 112           1HA      GLY 112   7.772  -5.799 -18.674
  874    HA3  GLY 112           2HA      GLY 112   7.258  -7.150 -17.638
  875    H    SER 113           H        SER 113   4.888  -5.948 -16.576
  876    HA   SER 113           HA       SER 113   3.062  -5.090 -18.630
  877    HB2  SER 113           1HB      SER 113   3.454  -7.512 -19.297
  878    HB3  SER 113           2HB      SER 113   2.759  -7.984 -17.740
  879    HG   SER 113           HG       SER 113   1.210  -7.944 -19.478
  880    H    LEU 114           H        LEU 114   0.893  -4.795 -17.796
  881    HA   LEU 114           HA       LEU 114   0.586  -4.981 -14.836
  882    HB2  LEU 114           1HB      LEU 114  -0.295  -2.839 -16.818
  883    HB3  LEU 114           2HB      LEU 114  -0.843  -2.909 -15.152
  884    HG   LEU 114           HG       LEU 114   2.089  -2.616 -15.941
  885   HD11  LEU 114          1HD1      LEU 114   0.710  -0.720 -16.700
  886   HD12  LEU 114          2HD1      LEU 114   0.092  -0.505 -15.041
  887   HD13  LEU 114          3HD1      LEU 114   1.818  -0.258 -15.395
  888   HD21  LEU 114          3HD2      LEU 114   2.280  -1.814 -13.555
  889   HD22  LEU 114          1HD2      LEU 114   0.618  -2.365 -13.277
  890   HD23  LEU 114          2HD2      LEU 114   1.890  -3.535 -13.694
  891    HA   PRO 115           HA       PRO 115  -3.154  -7.240 -15.681
  892    HB2  PRO 115           1HB      PRO 115  -4.682  -6.705 -13.487
  893    HB3  PRO 115           2HB      PRO 115  -3.190  -7.697 -13.408
  894    HG2  PRO 115           1HG      PRO 115  -3.500  -4.739 -12.785
  895    HG3  PRO 115           2HG      PRO 115  -2.707  -6.004 -11.787
  896    HD2  PRO 115           1HD      PRO 115  -1.278  -4.391 -13.441
  897    HD3  PRO 115           2HD      PRO 115  -0.854  -6.123 -13.246
  898    H    ASP 116           H        ASP 116  -5.311  -6.990 -16.373
  899    HA   ASP 116           HA       ASP 116  -6.151  -4.319 -17.240
  900    HB2  ASP 116           1HB      ASP 116  -6.457  -6.217 -18.727
  901    HB3  ASP 116           2HB      ASP 116  -7.401  -7.071 -17.504
  902    H    ILE 117           H        ILE 117  -7.804  -3.189 -16.524
  903    HA   ILE 117           HA       ILE 117  -9.400  -4.012 -14.126
  904    HB   ILE 117           HB       ILE 117  -9.144  -1.763 -13.199
  905   HG12  ILE 117          1HG1      ILE 117  -7.065  -1.232 -15.376
  906   HG13  ILE 117          2HG1      ILE 117  -8.717  -0.629 -15.440
  907   HG21  ILE 117          1HG2      ILE 117  -7.591  -3.600 -12.509
  908   HG22  ILE 117          2HG2      ILE 117  -6.392  -2.993 -13.670
  909   HG23  ILE 117          3HG2      ILE 117  -6.903  -1.987 -12.303
  910   HD11  ILE 117          3HD1      ILE 117  -7.295   1.096 -14.629
  911   HD12  ILE 117          1HD1      ILE 117  -8.388   0.577 -13.326
  912   HD13  ILE 117          2HD1      ILE 117  -6.680   0.050 -13.329
  913    H    SER 118           H        SER 118  -9.575  -3.080 -17.306
  914    HA   SER 118           HA       SER 118 -11.587  -1.033 -17.222
  915    HB2  SER 118           1HB      SER 118 -11.845  -1.430 -19.604
  916    HB3  SER 118           2HB      SER 118 -10.141  -1.353 -19.152
  917    HG   SER 118           HG       SER 118  -9.999  -3.598 -19.322
  918    H    SER 119           H        SER 119 -11.963  -4.336 -16.497
  919    HA   SER 119           HA       SER 119 -14.854  -4.474 -17.056
  920    HB2  SER 119           1HB      SER 119 -14.596  -6.667 -15.874
  921    HB3  SER 119           2HB      SER 119 -13.575  -6.486 -17.311
  922    HG   SER 119           HG       SER 119 -12.420  -7.375 -15.513
  923    H    CYS 120           H        CYS 120 -12.906  -3.108 -14.589
  924    HA   CYS 120           HA       CYS 120 -14.744  -3.631 -12.357
  925    HB2  CYS 120           1HB      CYS 120 -12.241  -1.933 -12.485
  926    HB3  CYS 120           2HB      CYS 120 -13.053  -2.504 -11.034
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  -9.682  -7.194  10.154
    2    H2   GLY   1           2H       GLY   1  -8.552  -8.274  10.662
    3    H3   GLY   1           3H       GLY   1  -8.228  -6.660  10.722
    4    HA2  GLY   1           1HA      GLY   1  -8.309  -6.482   8.344
    5    HA3  GLY   1           2HA      GLY   1  -7.073  -7.628   8.870
    6    H    LYS   2           H        LYS   2  -8.222  -7.547   6.372
    7    HA   LYS   2           HA       LYS   2  -9.306 -10.219   5.919
    8    HB2  LYS   2           1HB      LYS   2 -11.326  -9.443   4.802
    9    HB3  LYS   2           2HB      LYS   2 -11.318  -8.883   6.474
   10    HG2  LYS   2           1HG      LYS   2 -10.604  -6.631   5.762
   11    HG3  LYS   2           2HG      LYS   2 -10.528  -7.156   4.078
   12    HD2  LYS   2           1HD      LYS   2 -13.068  -7.172   5.753
   13    HD3  LYS   2           2HD      LYS   2 -12.570  -5.851   4.684
   14    HE2  LYS   2           1HE      LYS   2 -12.537  -7.411   2.748
   15    HE3  LYS   2           2HE      LYS   2 -13.095  -8.723   3.796
   16    HZ1  LYS   2           3HZ      LYS   2 -14.940  -7.696   2.613
   17    HZ2  LYS   2           1HZ      LYS   2 -15.119  -7.440   4.215
   18    HZ3  LYS   2           2HZ      LYS   2 -14.604  -6.228   3.244
   19    H    THR   3           H        THR   3  -9.550 -10.695   3.605
   20    HA   THR   3           HA       THR   3  -7.505  -9.338   1.924
   21    HB   THR   3           HB       THR   3  -8.792 -12.037   1.425
   22    HG1  THR   3           1HG      THR   3  -6.967 -12.876   2.445
   23   HG21  THR   3          3HG2      THR   3  -6.673 -12.398   0.133
   24   HG22  THR   3          1HG2      THR   3  -7.628 -11.066  -0.526
   25   HG23  THR   3          2HG2      THR   3  -6.201 -10.719   0.472
   26    H    PHE   4           H        PHE   4  -7.945  -8.459   0.031
   27    HA   PHE   4           HA       PHE   4 -10.780  -8.102  -0.818
   28    HB2  PHE   4           1HB      PHE   4  -8.253  -6.481  -1.293
   29    HB3  PHE   4           2HB      PHE   4  -9.752  -6.138  -2.104
   30    HD1  PHE   4           1HD      PHE   4  -8.317  -6.478   1.383
   31    HD2  PHE   4           2HD      PHE   4 -11.288  -4.603  -1.136
   32    HE1  PHE   4           1HE      PHE   4  -9.150  -5.178   3.316
   33    HE2  PHE   4           2HE      PHE   4 -12.105  -3.317   0.806
   34    HZ   PHE   4           HZ       PHE   4 -11.059  -3.613   3.041
   35    H    THR   5           H        THR   5 -11.251  -8.135  -3.029
   36    HA   THR   5           HA       THR   5  -9.568  -9.898  -4.774
   37    HB   THR   5           HB       THR   5 -11.842 -10.713  -4.422
   38    HG1  THR   5           1HG      THR   5 -12.190 -10.998  -6.623
   39   HG21  THR   5          3HG2      THR   5 -13.767  -9.575  -5.435
   40   HG22  THR   5          1HG2      THR   5 -13.083  -8.566  -4.154
   41   HG23  THR   5          2HG2      THR   5 -12.758  -8.181  -5.859
   42    H    ARG   6           H        ARG   6  -9.390  -9.155  -7.089
   43    HA   ARG   6           HA       ARG   6  -8.141  -6.629  -7.068
   44    HB2  ARG   6           1HB      ARG   6  -7.658  -8.472  -8.663
   45    HB3  ARG   6           2HB      ARG   6  -9.139  -8.087  -9.546
   46    HG2  ARG   6           1HG      ARG   6  -8.296  -5.811 -10.019
   47    HG3  ARG   6           2HG      ARG   6  -6.853  -6.108  -9.039
   48    HD2  ARG   6           1HD      ARG   6  -7.610  -7.640 -11.558
   49    HD3  ARG   6           2HD      ARG   6  -6.481  -6.281 -11.497
   50    HE   ARG   6           HE       ARG   6  -5.251  -7.783  -9.718
   51   HH11  ARG   6          1HH1      ARG   6  -6.819  -9.139 -12.604
   52   HH12  ARG   6          2HH1      ARG   6  -5.681 -10.449 -12.690
   53   HH21  ARG   6          1HH2      ARG   6  -3.749  -9.323 -10.009
   54   HH22  ARG   6          2HH2      ARG   6  -3.971 -10.582 -11.208
   55    H    CYS   7           H        CYS   7 -11.382  -7.407  -8.477
   56    HA   CYS   7           HA       CYS   7 -11.949  -4.690  -9.231
   57    HB2  CYS   7           1HB      CYS   7 -14.251  -5.422  -9.487
   58    HB3  CYS   7           2HB      CYS   7 -13.131  -6.570 -10.209
   59    H    GLY   8           H        GLY   8 -12.355  -6.324  -6.130
   60    HA2  GLY   8           1HA      GLY   8 -13.900  -4.227  -4.840
   61    HA3  GLY   8           2HA      GLY   8 -12.965  -5.519  -4.041
   62    H    LEU   9           H        LEU   9 -10.388  -5.041  -4.905
   63    HA   LEU   9           HA       LEU   9  -9.479  -2.788  -3.427
   64    HB2  LEU   9           1HB      LEU   9  -8.202  -4.882  -3.846
   65    HB3  LEU   9           2HB      LEU   9  -8.102  -4.501  -5.564
   66    HG   LEU   9           HG       LEU   9  -6.835  -2.446  -5.040
   67   HD11  LEU   9          1HD1      LEU   9  -7.628  -1.882  -2.826
   68   HD12  LEU   9          2HD1      LEU   9  -7.077  -3.437  -2.180
   69   HD13  LEU   9          3HD1      LEU   9  -5.895  -2.203  -2.704
   70   HD21  LEU   9          3HD2      LEU   9  -4.749  -3.523  -4.513
   71   HD22  LEU   9          1HD2      LEU   9  -5.587  -4.889  -3.740
   72   HD23  LEU   9          2HD2      LEU   9  -5.703  -4.639  -5.498
   73    H    VAL  10           H        VAL  10  -9.703  -3.208  -7.004
   74    HA   VAL  10           HA       VAL  10  -8.891  -0.642  -7.815
   75    HB   VAL  10           HB       VAL  10 -11.037  -2.477  -8.943
   76   HG11  VAL  10          1HG1      VAL  10 -11.746  -0.340  -9.752
   77   HG12  VAL  10          2HG1      VAL  10 -10.089   0.178 -10.070
   78   HG13  VAL  10          3HG1      VAL  10 -10.836  -1.079 -11.069
   79   HG21  VAL  10          3HG2      VAL  10  -9.406  -2.930 -10.696
   80   HG22  VAL  10          1HG2      VAL  10  -8.276  -1.747 -10.006
   81   HG23  VAL  10          2HG2      VAL  10  -8.657  -3.232  -9.127
   82    H    HIS  11           H        HIS  11 -12.164  -1.639  -6.739
   83    HA   HIS  11           HA       HIS  11 -13.366   0.979  -6.957
   84    HB2  HIS  11           1HB      HIS  11 -14.138  -1.527  -5.423
   85    HB3  HIS  11           2HB      HIS  11 -15.106  -0.067  -5.434
   86    HD2  HIS  11           2HD      HIS  11 -13.728  -0.519  -8.887
   87    HE1  HIS  11           1HE      HIS  11 -17.547  -2.397  -8.941
   88    HE2  HIS  11           2HE      HIS  11 -15.647  -1.544 -10.389
   89    H    GLU  12           H        GLU  12 -11.942  -0.731  -4.144
   90    HA   GLU  12           HA       GLU  12 -12.612   1.237  -2.196
   91    HB2  GLU  12           1HB      GLU  12 -11.651  -1.261  -2.075
   92    HB3  GLU  12           2HB      GLU  12 -10.112  -0.436  -1.965
   93    HG2  GLU  12           1HG      GLU  12 -10.982  -0.987   0.230
   94    HG3  GLU  12           2HG      GLU  12 -10.952   0.777   0.036
   95    H    LEU  13           H        LEU  13  -9.698   0.887  -4.230
   96    HA   LEU  13           HA       LEU  13  -8.373   3.246  -3.179
   97    HB2  LEU  13           1HB      LEU  13  -8.071   1.745  -5.791
   98    HB3  LEU  13           2HB      LEU  13  -6.909   2.912  -5.166
   99    HG   LEU  13           HG       LEU  13  -7.629   0.315  -3.800
  100   HD11  LEU  13          1HD1      LEU  13  -6.489  -0.062  -5.918
  101   HD12  LEU  13          2HD1      LEU  13  -5.223   1.113  -5.474
  102   HD13  LEU  13          3HD1      LEU  13  -5.381  -0.415  -4.574
  103   HD21  LEU  13          3HD2      LEU  13  -5.674   0.694  -2.406
  104   HD22  LEU  13          1HD2      LEU  13  -5.396   2.277  -3.187
  105   HD23  LEU  13          2HD2      LEU  13  -6.843   2.000  -2.190
  106    H    ARG  14           H        ARG  14 -10.477   2.711  -6.019
  107    HA   ARG  14           HA       ARG  14 -10.417   5.384  -7.045
  108    HB2  ARG  14           1HB      ARG  14 -12.551   3.239  -7.085
  109    HB3  ARG  14           2HB      ARG  14 -12.851   4.835  -7.769
  110    HG2  ARG  14           1HG      ARG  14 -11.132   4.610  -9.408
  111    HG3  ARG  14           2HG      ARG  14 -10.495   3.142  -8.648
  112    HD2  ARG  14           1HD      ARG  14 -12.530   1.921  -9.124
  113    HD3  ARG  14           2HD      ARG  14 -13.297   3.378  -9.803
  114    HE   ARG  14           HE       ARG  14 -10.920   2.915 -11.240
  115   HH11  ARG  14          1HH1      ARG  14 -14.081   1.355 -10.828
  116   HH12  ARG  14          2HH1      ARG  14 -13.910   0.431 -12.308
  117   HH21  ARG  14          1HH2      ARG  14 -10.857   1.713 -13.212
  118   HH22  ARG  14          2HH2      ARG  14 -12.189   0.652 -13.592
  119    H    LYS  15           H        LYS  15 -12.460   4.008  -4.423
  120    HA   LYS  15           HA       LYS  15 -13.843   6.474  -3.783
  121    HB2  LYS  15           1HB      LYS  15 -13.255   3.934  -2.210
  122    HB3  LYS  15           2HB      LYS  15 -14.238   5.266  -1.588
  123    HG2  LYS  15           1HG      LYS  15 -15.942   4.941  -3.217
  124    HG3  LYS  15           2HG      LYS  15 -14.924   3.906  -4.211
  125    HD2  LYS  15           1HD      LYS  15 -16.548   2.550  -3.109
  126    HD3  LYS  15           2HD      LYS  15 -14.964   2.135  -2.477
  127    HE2  LYS  15           1HE      LYS  15 -16.858   4.066  -1.056
  128    HE3  LYS  15           2HE      LYS  15 -16.964   2.318  -0.847
  129    HZ1  LYS  15           3HZ      LYS  15 -15.624   3.266   0.891
  130    HZ2  LYS  15           1HZ      LYS  15 -14.673   2.306  -0.031
  131    HZ3  LYS  15           2HZ      LYS  15 -14.577   3.933  -0.174
  132    H    HIS  16           H        HIS  16 -10.800   5.047  -2.620
  133    HA   HIS  16           HA       HIS  16 -10.377   7.134  -0.640
  134    HB2  HIS  16           1HB      HIS  16  -8.716   4.740  -1.520
  135    HB3  HIS  16           2HB      HIS  16  -8.304   5.817  -0.187
  136    HD2  HIS  16           2HD      HIS  16  -8.485   3.198   0.949
  137    HE1  HIS  16           1HE      HIS  16 -12.599   3.635   1.840
  138    HE2  HIS  16           2HE      HIS  16 -10.530   2.325   2.391
  139    H    GLY  17           H        GLY  17  -9.990   7.438  -3.868
  140    HA2  GLY  17           1HA      GLY  17  -9.288   9.447  -4.842
  141    HA3  GLY  17           2HA      GLY  17  -8.250   9.794  -3.441
  142    H    PHE  18           H        PHE  18  -8.123   6.764  -5.313
  143    HA   PHE  18           HA       PHE  18  -5.375   7.429  -6.255
  144    HB2  PHE  18           1HB      PHE  18  -6.947   4.864  -6.081
  145    HB3  PHE  18           2HB      PHE  18  -5.379   4.988  -6.851
  146    HD1  PHE  18           2HD      PHE  18  -6.980   5.851  -3.505
  147    HD2  PHE  18           1HD      PHE  18  -3.524   4.376  -5.600
  148    HE1  PHE  18           2HE      PHE  18  -5.827   5.570  -1.378
  149    HE2  PHE  18           1HE      PHE  18  -2.376   4.002  -3.433
  150    HZ   PHE  18           HZ       PHE  18  -3.517   4.596  -1.309
  151    H    GLU  19           H        GLU  19  -4.995   7.880  -8.378
  152    HA   GLU  19           HA       GLU  19  -7.112   8.447 -10.136
  153    HB2  GLU  19           1HB      GLU  19  -4.282   8.868 -10.006
  154    HB3  GLU  19           2HB      GLU  19  -4.585   8.094 -11.555
  155    HG2  GLU  19           1HG      GLU  19  -5.953  10.570 -10.456
  156    HG3  GLU  19           2HG      GLU  19  -4.695  10.551 -11.700
  157    H    GLU  20           H        GLU  20  -8.002   7.464 -11.904
  158    HA   GLU  20           HA       GLU  20  -7.945   4.611 -12.074
  159    HB2  GLU  20           1HB      GLU  20  -9.408   4.847 -13.986
  160    HB3  GLU  20           2HB      GLU  20  -9.930   5.853 -12.638
  161    HG2  GLU  20           1HG      GLU  20  -8.988   7.859 -13.751
  162    HG3  GLU  20           2HG      GLU  20  -8.422   6.860 -15.094
  163    H    ASN  21           H        ASN  21  -6.069   7.094 -13.826
  164    HA   ASN  21           HA       ASN  21  -5.043   5.170 -15.748
  165    HB2  ASN  21           1HB      ASN  21  -3.899   6.864 -16.716
  166    HB3  ASN  21           2HB      ASN  21  -5.216   7.759 -15.973
  167   HD21  ASN  21          2HD2      ASN  21  -4.697   8.996 -13.955
  168   HD22  ASN  21          1HD2      ASN  21  -3.026   9.510 -13.710
  169    H    LEU  22           H        LEU  22  -4.302   5.722 -12.461
  170    HA   LEU  22           HA       LEU  22  -1.621   4.392 -12.643
  171    HB2  LEU  22           1HB      LEU  22  -2.949   5.876 -10.340
  172    HB3  LEU  22           2HB      LEU  22  -1.328   5.194 -10.340
  173    HG   LEU  22           HG       LEU  22  -2.311   7.542 -11.988
  174   HD11  LEU  22          1HD1      LEU  22  -1.948   8.001  -9.591
  175   HD12  LEU  22          2HD1      LEU  22  -0.298   7.353  -9.711
  176   HD13  LEU  22          3HD1      LEU  22  -0.745   8.832 -10.592
  177   HD21  LEU  22          3HD2      LEU  22   0.044   7.840 -12.716
  178   HD22  LEU  22          1HD2      LEU  22   0.479   6.303 -11.943
  179   HD23  LEU  22          2HD2      LEU  22  -0.632   6.329 -13.329
  180    H    MET  23           H        MET  23  -4.896   3.771 -11.817
  181    HA   MET  23           HA       MET  23  -4.821   2.111  -9.656
  182    HB2  MET  23           1HB      MET  23  -6.762   3.000 -11.046
  183    HB3  MET  23           2HB      MET  23  -6.557   1.628 -12.100
  184    HG2  MET  23           1HG      MET  23  -8.351   1.259 -10.437
  185    HG3  MET  23           2HG      MET  23  -7.050   0.094 -10.210
  186    HE1  MET  23           3HE      MET  23  -8.060   3.739  -7.599
  187    HE2  MET  23           1HE      MET  23  -6.812   3.971  -8.844
  188    HE3  MET  23           2HE      MET  23  -8.450   3.484  -9.306
  189    H    ARG  24           H        ARG  24  -4.200   0.980 -13.018
  190    HA   ARG  24           HA       ARG  24  -3.780  -1.752 -12.496
  191    HB2  ARG  24           1HB      ARG  24  -2.290  -0.005 -14.510
  192    HB3  ARG  24           2HB      ARG  24  -2.398  -1.768 -14.522
  193    HG2  ARG  24           1HG      ARG  24  -4.889  -1.573 -14.756
  194    HG3  ARG  24           2HG      ARG  24  -4.701   0.187 -14.879
  195    HD2  ARG  24           1HD      ARG  24  -4.891  -0.602 -17.101
  196    HD3  ARG  24           2HD      ARG  24  -3.182  -0.186 -16.864
  197    HE   ARG  24           HE       ARG  24  -3.746  -2.970 -16.257
  198   HH11  ARG  24          1HH1      ARG  24  -3.251  -0.854 -19.053
  199   HH12  ARG  24          2HH1      ARG  24  -2.751  -2.170 -20.072
  200   HH21  ARG  24          1HH2      ARG  24  -3.037  -4.607 -17.605
  201   HH22  ARG  24          2HH2      ARG  24  -2.645  -4.266 -19.263
  202    H    ASN  25           H        ASN  25  -1.341   0.902 -12.358
  203    HA   ASN  25           HA       ASN  25   0.882  -0.727 -11.561
  204    HB2  ASN  25           1HB      ASN  25   0.313   2.234 -11.045
  205    HB3  ASN  25           2HB      ASN  25   1.811   1.413 -10.661
  206   HD21  ASN  25          2HD2      ASN  25   3.028   2.807 -12.006
  207   HD22  ASN  25          1HD2      ASN  25   2.959   2.639 -13.754
  208    H    TRP  26           H        TRP  26  -1.507   1.175  -9.640
  209    HA   TRP  26           HA       TRP  26  -0.392   0.577  -7.103
  210    HB2  TRP  26           1HB      TRP  26  -3.118   1.511  -8.040
  211    HB3  TRP  26           2HB      TRP  26  -2.801   1.171  -6.348
  212    HD1  TRP  26           HD       TRP  26  -2.686   3.978  -8.656
  213    HE1  TRP  26           1HE      TRP  26  -1.469   5.970  -7.606
  214    HE3  TRP  26           3HE      TRP  26  -0.278   1.542  -4.849
  215    HZ2  TRP  26           2HZ      TRP  26   0.124   6.489  -5.239
  216    HZ3  TRP  26           3HZ      TRP  26   1.070   2.809  -3.203
  217    HH2  TRP  26           HH       TRP  26   1.258   5.281  -3.368
  218    H    VAL  27           H        VAL  27  -3.189  -1.085  -8.737
  219    HA   VAL  27           HA       VAL  27  -3.414  -2.944  -6.556
  220    HB   VAL  27           HB       VAL  27  -4.864  -4.312  -7.791
  221   HG11  VAL  27          1HG1      VAL  27  -5.649  -2.057  -7.023
  222   HG12  VAL  27          2HG1      VAL  27  -5.460  -1.479  -8.688
  223   HG13  VAL  27          3HG1      VAL  27  -6.598  -2.784  -8.327
  224   HG21  VAL  27          3HG2      VAL  27  -5.380  -3.989 -10.200
  225   HG22  VAL  27          1HG2      VAL  27  -3.980  -2.900 -10.329
  226   HG23  VAL  27          2HG2      VAL  27  -3.753  -4.611  -9.898
  227    H    CYS  28           H        CYS  28  -1.449  -3.119  -9.551
  228    HA   CYS  28           HA       CYS  28  -0.628  -5.848  -9.134
  229    HB2  CYS  28           1HB      CYS  28  -0.590  -4.437 -11.234
  230    HB3  CYS  28           2HB      CYS  28   0.884  -3.685 -10.638
  231    H    LEU  29           H        LEU  29   0.784  -2.742  -8.121
  232    HA   LEU  29           HA       LEU  29   3.086  -3.756  -6.776
  233    HB2  LEU  29           1HB      LEU  29   2.695  -1.458  -7.534
  234    HB3  LEU  29           2HB      LEU  29   1.419  -1.236  -6.348
  235    HG   LEU  29           HG       LEU  29   4.352  -1.724  -5.686
  236   HD11  LEU  29          1HD1      LEU  29   3.955   0.393  -6.917
  237   HD12  LEU  29          2HD1      LEU  29   2.733   0.858  -5.709
  238   HD13  LEU  29          3HD1      LEU  29   4.439   0.685  -5.248
  239   HD21  LEU  29          3HD2      LEU  29   3.621  -0.695  -3.459
  240   HD22  LEU  29          1HD2      LEU  29   1.954  -1.034  -3.954
  241   HD23  LEU  29          2HD2      LEU  29   3.141  -2.354  -3.758
  242    H    VAL  30           H        VAL  30  -0.155  -2.876  -5.485
  243    HA   VAL  30           HA       VAL  30   0.243  -3.807  -2.841
  244    HB   VAL  30           HB       VAL  30  -2.233  -3.529  -4.562
  245   HG11  VAL  30          1HG1      VAL  30  -2.868  -5.278  -3.014
  246   HG12  VAL  30          2HG1      VAL  30  -2.122  -4.403  -1.663
  247   HG13  VAL  30          3HG1      VAL  30  -3.578  -3.764  -2.464
  248   HG21  VAL  30          3HG2      VAL  30  -2.660  -1.599  -3.119
  249   HG22  VAL  30          1HG2      VAL  30  -1.264  -2.011  -2.096
  250   HG23  VAL  30          2HG2      VAL  30  -1.015  -1.473  -3.764
  251    H    GLU  31           H        GLU  31  -0.797  -5.665  -5.732
  252    HA   GLU  31           HA       GLU  31  -1.283  -8.112  -4.318
  253    HB2  GLU  31           1HB      GLU  31  -0.756  -7.403  -7.220
  254    HB3  GLU  31           2HB      GLU  31  -0.893  -9.090  -6.710
  255    HG2  GLU  31           1HG      GLU  31  -3.114  -8.804  -5.901
  256    HG3  GLU  31           2HG      GLU  31  -3.057  -7.051  -6.066
  257    H    HIS  32           H        HIS  32   1.801  -6.673  -5.477
  258    HA   HIS  32           HA       HIS  32   3.231  -9.187  -5.041
  259    HB2  HIS  32           1HB      HIS  32   4.998  -8.221  -6.005
  260    HB3  HIS  32           2HB      HIS  32   3.759  -7.181  -6.695
  261    HD2  HIS  32           2HD      HIS  32   6.048  -7.046  -3.529
  262    HE1  HIS  32           1HE      HIS  32   5.971  -3.176  -5.267
  263    HE2  HIS  32           2HE      HIS  32   6.817  -4.556  -3.297
  264    H    GLU  33           H        GLU  33   2.528  -6.253  -3.229
  265    HA   GLU  33           HA       GLU  33   4.482  -6.785  -1.146
  266    HB2  GLU  33           1HB      GLU  33   2.322  -4.746  -1.647
  267    HB3  GLU  33           2HB      GLU  33   3.043  -4.844  -0.042
  268    HG2  GLU  33           1HG      GLU  33   4.388  -4.125  -2.632
  269    HG3  GLU  33           2HG      GLU  33   4.085  -3.088  -1.257
  270    H    SER  34           H        SER  34   0.857  -6.632  -1.002
  271    HA   SER  34           HA       SER  34   0.975  -8.237   1.539
  272    HB2  SER  34           1HB      SER  34  -1.102  -7.172   2.092
  273    HB3  SER  34           2HB      SER  34   0.103  -5.936   1.713
  274    HG   SER  34           HG       SER  34  -1.094  -5.303   0.106
  275    H    SER  35           H        SER  35   0.189  -8.594  -1.732
  276    HA   SER  35           HA       SER  35  -1.170  -9.933  -2.968
  277    HB2  SER  35           1HB      SER  35  -1.841 -11.616  -0.567
  278    HB3  SER  35           2HB      SER  35  -1.790 -12.075  -2.267
  279    HG   SER  35           HG       SER  35   0.517 -11.850  -2.184
  280    H    ARG  36           H        ARG  36  -2.275  -7.616  -1.385
  281    HA   ARG  36           HA       ARG  36  -4.211  -6.509  -1.219
  282    HB2  ARG  36           1HB      ARG  36  -5.873  -8.831  -2.205
  283    HB3  ARG  36           2HB      ARG  36  -6.219  -7.106  -2.259
  284    HG2  ARG  36           1HG      ARG  36  -4.273  -6.884  -3.902
  285    HG3  ARG  36           2HG      ARG  36  -4.228  -8.636  -3.969
  286    HD2  ARG  36           1HD      ARG  36  -6.723  -7.017  -4.605
  287    HD3  ARG  36           2HD      ARG  36  -5.575  -7.575  -5.814
  288    HE   ARG  36           HE       ARG  36  -7.171  -9.336  -3.987
  289   HH11  ARG  36          1HH1      ARG  36  -5.593  -9.019  -7.186
  290   HH12  ARG  36          2HH1      ARG  36  -6.026 -10.653  -7.601
  291   HH21  ARG  36          1HH2      ARG  36  -7.620 -11.390  -4.613
  292   HH22  ARG  36          2HH2      ARG  36  -7.192 -11.951  -6.200
  293    H    ASP  37           H        ASP  37  -3.130  -8.124   0.919
  294    HA   ASP  37           HA       ASP  37  -5.592  -8.708   2.557
  295    HB2  ASP  37           1HB      ASP  37  -4.350 -10.754   2.067
  296    HB3  ASP  37           2HB      ASP  37  -2.882 -10.025   2.724
  297    H    THR  38           H        THR  38  -5.965  -7.263   4.037
  298    HA   THR  38           HA       THR  38  -4.021  -5.282   4.873
  299    HB   THR  38           HB       THR  38  -5.738  -4.684   6.655
  300    HG1  THR  38           1HG      THR  38  -7.341  -6.482   5.179
  301   HG21  THR  38          3HG2      THR  38  -7.372  -3.753   5.120
  302   HG22  THR  38          1HG2      THR  38  -5.747  -3.577   4.433
  303   HG23  THR  38          2HG2      THR  38  -6.845  -4.849   3.830
  304    H    SER  39           H        SER  39  -4.836  -8.449   6.149
  305    HA   SER  39           HA       SER  39  -3.679  -7.945   8.785
  306    HB2  SER  39           1HB      SER  39  -4.493 -10.503   7.357
  307    HB3  SER  39           2HB      SER  39  -3.957 -10.400   9.032
  308    HG   SER  39           HG       SER  39  -6.239 -10.388   8.870
  309    H    LYS  40           H        LYS  40  -2.146  -8.372   5.765
  310    HA   LYS  40           HA       LYS  40  -0.187 -10.305   6.577
  311    HB2  LYS  40           1HB      LYS  40  -1.002  -9.851   4.233
  312    HB3  LYS  40           2HB      LYS  40  -0.005  -8.401   4.203
  313    HG2  LYS  40           1HG      LYS  40   2.027  -9.602   4.333
  314    HG3  LYS  40           2HG      LYS  40   1.265 -11.022   5.020
  315    HD2  LYS  40           1HD      LYS  40   1.156 -10.223   2.111
  316    HD3  LYS  40           2HD      LYS  40   2.071 -11.529   2.841
  317    HE2  LYS  40           1HE      LYS  40  -0.099 -12.575   3.593
  318    HE3  LYS  40           2HE      LYS  40  -0.968 -11.312   2.704
  319    HZ1  LYS  40           3HZ      LYS  40  -0.717 -13.324   1.381
  320    HZ2  LYS  40           1HZ      LYS  40   0.087 -12.099   0.659
  321    HZ3  LYS  40           2HZ      LYS  40   0.911 -13.253   1.477
  322    H    THR  41           H        THR  41   1.870 -10.153   7.262
  323    HA   THR  41           HA       THR  41   3.252  -7.545   7.479
  324    HB   THR  41           HB       THR  41   4.174  -8.234   9.701
  325    HG1  THR  41           1HG      THR  41   2.746  -9.785  10.835
  326   HG21  THR  41          3HG2      THR  41   2.422  -7.490  11.084
  327   HG22  THR  41          1HG2      THR  41   2.328  -6.586   9.580
  328   HG23  THR  41          2HG2      THR  41   1.170  -7.906   9.869
  329    H    ASN  42           H        ASN  42   5.482  -7.662   7.709
  330    HA   ASN  42           HA       ASN  42   6.839 -10.228   7.213
  331    HB2  ASN  42           1HB      ASN  42   6.772  -7.886   5.261
  332    HB3  ASN  42           2HB      ASN  42   8.117  -9.010   5.294
  333   HD21  ASN  42          2HD2      ASN  42   4.865  -8.541   4.175
  334   HD22  ASN  42          1HD2      ASN  42   4.735 -10.109   3.383
  335    H    THR  43           H        THR  43   8.776 -10.318   8.247
  336    HA   THR  43           HA       THR  43   9.781  -7.953   9.713
  337    HB   THR  43           HB       THR  43  10.922 -10.771   9.709
  338    HG1  THR  43           1HG      THR  43   9.528 -11.224  11.339
  339   HG21  THR  43          3HG2      THR  43  11.536 -10.133  12.063
  340   HG22  THR  43          1HG2      THR  43  12.340  -9.124  10.860
  341   HG23  THR  43          2HG2      THR  43  10.938  -8.489  11.750
  342    H    ASN  44           H        ASN  44  11.834  -7.100   9.485
  343    HA   ASN  44           HA       ASN  44  13.247  -7.610   6.898
  344    HB2  ASN  44           1HB      ASN  44  13.148  -5.131   8.664
  345    HB3  ASN  44           2HB      ASN  44  14.051  -5.282   7.160
  346   HD21  ASN  44          2HD2      ASN  44  10.805  -5.152   8.549
  347   HD22  ASN  44          1HD2      ASN  44  10.002  -4.649   7.046
  348    H    ARG  45           H        ARG  45  15.544  -7.433   6.860
  349    HA   ARG  45           HA       ARG  45  16.954  -8.832   8.909
  350    HB2  ARG  45           1HB      ARG  45  18.094  -7.075   6.692
  351    HB3  ARG  45           2HB      ARG  45  18.978  -8.288   7.633
  352    HG2  ARG  45           1HG      ARG  45  17.405 -10.047   6.762
  353    HG3  ARG  45           2HG      ARG  45  16.659  -8.811   5.730
  354    HD2  ARG  45           1HD      ARG  45  18.843  -8.402   4.634
  355    HD3  ARG  45           2HD      ARG  45  19.595  -9.644   5.633
  356    HE   ARG  45           HE       ARG  45  17.834 -10.007   3.317
  357   HH11  ARG  45          1HH1      ARG  45  19.195 -11.691   6.119
  358   HH12  ARG  45          2HH1      ARG  45  18.942 -13.257   5.410
  359   HH21  ARG  45          1HH2      ARG  45  17.534 -12.052   2.470
  360   HH22  ARG  45          2HH2      ARG  45  18.012 -13.456   3.376
  361    H    ASN  46           H        ASN  46  16.359  -5.434   8.507
  362    HA   ASN  46           HA       ASN  46  18.318  -4.487  10.431
  363    HB2  ASN  46           1HB      ASN  46  17.403  -3.216   8.462
  364    HB3  ASN  46           2HB      ASN  46  15.850  -3.104   9.294
  365   HD21  ASN  46          2HD2      ASN  46  19.375  -2.377   9.844
  366   HD22  ASN  46          1HD2      ASN  46  19.057  -0.877  10.694
  367    H    GLY  47           H        GLY  47  15.428  -6.192  10.948
  368    HA2  GLY  47           1HA      GLY  47  14.581  -6.861  13.005
  369    HA3  GLY  47           2HA      GLY  47  15.384  -5.498  13.816
  370    H    SER  48           H        SER  48  13.723  -4.254  11.195
  371    HA   SER  48           HA       SER  48  11.358  -3.411  12.774
  372    HB2  SER  48           1HB      SER  48  11.000  -1.928  10.812
  373    HB3  SER  48           2HB      SER  48  12.557  -1.681  11.605
  374    HG   SER  48           HG       SER  48  12.982  -1.770   9.425
  375    H    LYS  49           H        LYS  49   9.232  -3.429  11.618
  376    HA   LYS  49           HA       LYS  49   8.871  -5.791   9.831
  377    HB2  LYS  49           1HB      LYS  49   8.277  -6.074  12.414
  378    HB3  LYS  49           2HB      LYS  49   6.828  -5.202  11.944
  379    HG2  LYS  49           1HG      LYS  49   6.407  -6.997  10.206
  380    HG3  LYS  49           2HG      LYS  49   7.804  -7.863  10.881
  381    HD2  LYS  49           1HD      LYS  49   6.597  -7.678  13.171
  382    HD3  LYS  49           2HD      LYS  49   5.195  -7.123  12.257
  383    HE2  LYS  49           1HE      LYS  49   4.807  -9.415  12.562
  384    HE3  LYS  49           2HE      LYS  49   5.376  -9.298  10.893
  385    HZ1  LYS  49           3HZ      LYS  49   6.452 -11.108  12.089
  386    HZ2  LYS  49           1HZ      LYS  49   7.580 -10.001  11.678
  387    HZ3  LYS  49           2HZ      LYS  49   7.039 -10.091  13.222
  388    H    ASP  50           H        ASP  50   7.153  -5.744   8.493
  389    HA   ASP  50           HA       ASP  50   6.146  -3.069   7.682
  390    HB2  ASP  50           1HB      ASP  50   6.167  -5.720   6.193
  391    HB3  ASP  50           2HB      ASP  50   5.743  -4.146   5.544
  392    H    TYR  51           H        TYR  51   3.959  -2.685   7.449
  393    HA   TYR  51           HA       TYR  51   1.978  -4.779   8.268
  394    HB2  TYR  51           1HB      TYR  51   2.303  -1.924   9.273
  395    HB3  TYR  51           2HB      TYR  51   0.950  -2.977   9.667
  396    HD1  TYR  51           2HD      TYR  51   4.563  -2.348  10.140
  397    HD2  TYR  51           1HD      TYR  51   1.153  -4.666  11.393
  398    HE1  TYR  51           2HE      TYR  51   5.810  -3.078  12.138
  399    HE2  TYR  51           1HE      TYR  51   2.406  -5.418  13.411
  400    HH   TYR  51           HH       TYR  51   5.753  -4.317  14.099
  401    H    GLY  52           H        GLY  52  -0.118  -4.591   7.529
  402    HA2  GLY  52           1HA      GLY  52  -1.981  -3.732   6.458
  403    HA3  GLY  52           2HA      GLY  52  -1.137  -2.186   6.273
  404    H    LEU  53           H        LEU  53  -2.601  -2.521   4.273
  405    HA   LEU  53           HA       LEU  53  -1.928  -4.486   2.410
  406    HB2  LEU  53           1HB      LEU  53  -3.972  -2.642   2.675
  407    HB3  LEU  53           2HB      LEU  53  -3.050  -1.862   1.397
  408    HG   LEU  53           HG       LEU  53  -3.087  -4.247   0.264
  409   HD11  LEU  53          1HD1      LEU  53  -3.950  -5.482   2.156
  410   HD12  LEU  53          2HD1      LEU  53  -5.391  -4.438   2.224
  411   HD13  LEU  53          3HD1      LEU  53  -5.157  -5.506   0.852
  412   HD21  LEU  53          3HD2      LEU  53  -5.226  -3.844  -0.774
  413   HD22  LEU  53          1HD2      LEU  53  -5.622  -2.615   0.460
  414   HD23  LEU  53          2HD2      LEU  53  -4.279  -2.337  -0.674
  415    H    PHE  54           H        PHE  54  -0.312  -1.451   2.794
  416    HA   PHE  54           HA       PHE  54   1.190  -1.851   0.247
  417    HB2  PHE  54           1HB      PHE  54   1.029   0.568   2.074
  418    HB3  PHE  54           2HB      PHE  54   1.887   0.481   0.545
  419    HD1  PHE  54           2HD      PHE  54  -1.480   0.513   2.113
  420    HD2  PHE  54           1HD      PHE  54   0.718   0.666  -1.587
  421    HE1  PHE  54           2HE      PHE  54  -3.546   1.167   0.926
  422    HE2  PHE  54           1HE      PHE  54  -1.351   1.366  -2.768
  423    HZ   PHE  54           HZ       PHE  54  -3.483   1.617  -1.525
  424    H    GLN  55           H        GLN  55   1.489  -3.063   3.221
  425    HA   GLN  55           HA       GLN  55   3.121  -3.702   4.626
  426    HB2  GLN  55           1HB      GLN  55   4.573  -3.862   1.963
  427    HB3  GLN  55           2HB      GLN  55   5.228  -4.546   3.441
  428    HG2  GLN  55           1HG      GLN  55   2.597  -5.362   2.151
  429    HG3  GLN  55           2HG      GLN  55   4.119  -6.254   2.113
  430   HE21  GLN  55          2HE2      GLN  55   1.251  -5.526   4.045
  431   HE22  GLN  55          1HE2      GLN  55   1.714  -6.512   5.402
  432    H    ILE  56           H        ILE  56   2.859  -1.387   5.331
  433    HA   ILE  56           HA       ILE  56   5.088   0.452   4.798
  434    HB   ILE  56           HB       ILE  56   2.746   0.822   6.714
  435   HG12  ILE  56          1HG1      ILE  56   2.949   1.400   3.709
  436   HG13  ILE  56          2HG1      ILE  56   1.810   0.275   4.472
  437   HG21  ILE  56          1HG2      ILE  56   4.642   2.367   6.933
  438   HG22  ILE  56          2HG2      ILE  56   4.457   2.826   5.220
  439   HG23  ILE  56          3HG2      ILE  56   3.178   3.181   6.411
  440   HD11  ILE  56          3HD1      ILE  56   0.538   2.159   3.883
  441   HD12  ILE  56          1HD1      ILE  56   0.772   2.295   5.639
  442   HD13  ILE  56          2HD1      ILE  56   1.743   3.283   4.517
  443    H    ASN  57           H        ASN  57   6.754   0.911   6.200
  444    HA   ASN  57           HA       ASN  57   7.143  -1.105   8.297
  445    HB2  ASN  57           1HB      ASN  57   8.728  -0.794   6.428
  446    HB3  ASN  57           2HB      ASN  57   9.095   0.826   7.031
  447   HD21  ASN  57          2HD2      ASN  57   9.654  -2.590   7.442
  448   HD22  ASN  57          1HD2      ASN  57  10.866  -2.411   8.719
  449    H    ASP  58           H        ASP  58   7.541  -0.785  10.371
  450    HA   ASP  58           HA       ASP  58   6.510   1.460  11.698
  451    HB2  ASP  58           1HB      ASP  58   6.931   0.375  13.676
  452    HB3  ASP  58           2HB      ASP  58   6.618  -0.909  12.515
  453    H    ARG  59           H        ARG  59   9.581   1.268  10.375
  454    HA   ARG  59           HA       ARG  59  10.799   3.249  12.236
  455    HB2  ARG  59           1HB      ARG  59  11.693   0.883  11.771
  456    HB3  ARG  59           2HB      ARG  59  12.223   1.485  10.211
  457    HG2  ARG  59           1HG      ARG  59  13.765   3.024  11.200
  458    HG3  ARG  59           2HG      ARG  59  13.039   2.850  12.805
  459    HD2  ARG  59           1HD      ARG  59  14.425   0.593  11.297
  460    HD3  ARG  59           2HD      ARG  59  15.225   1.627  12.495
  461    HE   ARG  59           HE       ARG  59  12.987   0.693  13.823
  462   HH11  ARG  59          1HH1      ARG  59  15.714  -0.936  12.268
  463   HH12  ARG  59          2HH1      ARG  59  15.664  -2.281  13.358
  464   HH21  ARG  59          1HH2      ARG  59  12.911  -1.102  15.158
  465   HH22  ARG  59          2HH2      ARG  59  14.084  -2.373  14.982
  466    H    TYR  60           H        TYR  60   9.156   3.278   9.417
  467    HA   TYR  60           HA       TYR  60  10.744   5.521   8.179
  468    HB2  TYR  60           1HB      TYR  60   9.362   3.146   6.894
  469    HB3  TYR  60           2HB      TYR  60   9.767   4.602   6.011
  470    HD1  TYR  60           2HD      TYR  60  11.395   1.957   8.114
  471    HD2  TYR  60           1HD      TYR  60  11.807   4.851   4.964
  472    HE1  TYR  60           2HE      TYR  60  13.704   1.140   7.698
  473    HE2  TYR  60           1HE      TYR  60  14.124   4.037   4.518
  474    HH   TYR  60           HH       TYR  60  15.611   1.376   6.420
  475    H    TRP  61           H        TRP  61   7.405   4.201   8.530
  476    HA   TRP  61           HA       TRP  61   6.337   6.932   7.885
  477    HB2  TRP  61           1HB      TRP  61   5.504   4.356   6.592
  478    HB3  TRP  61           2HB      TRP  61   4.817   5.920   6.242
  479    HD1  TRP  61           HD       TRP  61   7.173   3.466   4.985
  480    HE1  TRP  61           1HE      TRP  61   8.633   4.386   3.097
  481    HE3  TRP  61           3HE      TRP  61   6.266   8.474   5.621
  482    HZ2  TRP  61           2HZ      TRP  61   9.257   6.947   1.937
  483    HZ3  TRP  61           3HZ      TRP  61   7.264  10.126   4.069
  484    HH2  TRP  61           HH       TRP  61   8.758   9.382   2.223
  485    H    CYS  62           H        CYS  62   5.507   3.659   9.190
  486    HA   CYS  62           HA       CYS  62   3.379   4.988  10.835
  487    HB2  CYS  62           1HB      CYS  62   2.579   2.654  11.245
  488    HB3  CYS  62           2HB      CYS  62   2.355   3.262   9.619
  489    H    SER  63           H        SER  63   3.134   4.079  13.040
  490    HA   SER  63           HA       SER  63   5.789   3.581  14.344
  491    HB2  SER  63           1HB      SER  63   4.337   5.800  14.635
  492    HB3  SER  63           2HB      SER  63   3.463   4.800  15.793
  493    HG   SER  63           HG       SER  63   5.169   5.742  16.906
  494    H    LYS  64           H        LYS  64   5.986   2.027  15.873
  495    HA   LYS  64           HA       LYS  64   4.000  -0.124  15.778
  496    HB2  LYS  64           1HB      LYS  64   5.738  -1.430  16.965
  497    HB3  LYS  64           2HB      LYS  64   6.287  -0.749  15.450
  498    HG2  LYS  64           1HG      LYS  64   7.638   0.893  16.516
  499    HG3  LYS  64           2HG      LYS  64   6.795   0.724  18.066
  500    HD2  LYS  64           1HD      LYS  64   7.707  -1.492  18.410
  501    HD3  LYS  64           2HD      LYS  64   8.514  -1.453  16.815
  502    HE2  LYS  64           1HE      LYS  64   9.835   0.505  17.523
  503    HE3  LYS  64           2HE      LYS  64   9.000   0.532  19.084
  504    HZ1  LYS  64           3HZ      LYS  64  11.156  -0.577  19.246
  505    HZ2  LYS  64           1HZ      LYS  64   9.966  -1.645  19.572
  506    HZ3  LYS  64           2HZ      LYS  64  10.729  -1.687  18.125
  507    H    GLY  65           H        GLY  65   4.535   2.363  18.053
  508    HA2  GLY  65           1HA      GLY  65   4.005   0.835  20.485
  509    HA3  GLY  65           2HA      GLY  65   4.142   2.592  20.335
  510    H    ALA  66           H        ALA  66   2.362   2.396  21.965
  511    HA   ALA  66           HA       ALA  66  -0.272   1.511  21.093
  512    HB1  ALA  66           1HB      ALA  66   0.559   1.255  23.409
  513    HB2  ALA  66           2HB      ALA  66   0.612   3.027  23.586
  514    HB3  ALA  66           3HB      ALA  66  -0.940   2.197  23.347
  515    H    SER  67           H        SER  67   1.257   4.113  19.966
  516    HA   SER  67           HA       SER  67  -1.161   5.712  19.500
  517    HB2  SER  67           1HB      SER  67  -0.269   6.466  21.712
  518    HB3  SER  67           2HB      SER  67   1.269   6.863  20.931
  519    HG   SER  67           HG       SER  67  -0.136   8.692  21.144
  520    HA   PRO  68           HA       PRO  68   1.210   6.336  15.694
  521    HB2  PRO  68           1HB      PRO  68  -0.066   8.503  14.618
  522    HB3  PRO  68           2HB      PRO  68  -0.809   6.872  14.694
  523    HG2  PRO  68           1HG      PRO  68  -1.197   9.175  16.627
  524    HG3  PRO  68           2HG      PRO  68  -2.456   8.190  15.810
  525    HD2  PRO  68           1HD      PRO  68  -1.657   7.617  18.320
  526    HD3  PRO  68           2HD      PRO  68  -1.977   6.299  17.157
  527    H    GLY  69           H        GLY  69   2.664   7.961  14.656
  528    HA2  GLY  69           1HA      GLY  69   3.451  10.419  15.665
  529    HA3  GLY  69           2HA      GLY  69   4.250   9.276  16.735
  530    H    LYS  70           H        LYS  70   3.758  10.096  13.356
  531    HA   LYS  70           HA       LYS  70   6.577   9.914  12.617
  532    HB2  LYS  70           1HB      LYS  70   4.453   8.090  11.382
  533    HB3  LYS  70           2HB      LYS  70   5.996   8.414  10.601
  534    HG2  LYS  70           1HG      LYS  70   5.629   7.002  13.234
  535    HG3  LYS  70           2HG      LYS  70   5.955   6.275  11.668
  536    HD2  LYS  70           1HD      LYS  70   8.132   7.268  11.524
  537    HD3  LYS  70           2HD      LYS  70   7.902   8.173  13.026
  538    HE2  LYS  70           1HE      LYS  70   7.817   5.125  12.870
  539    HE3  LYS  70           2HE      LYS  70   9.294   6.043  13.174
  540    HZ1  LYS  70           3HZ      LYS  70   8.337   5.389  15.257
  541    HZ2  LYS  70           1HZ      LYS  70   8.195   7.015  15.140
  542    HZ3  LYS  70           2HZ      LYS  70   6.890   6.059  14.923
  543    H    ASP  71           H        ASP  71   6.618  10.351  10.083
  544    HA   ASP  71           HA       ASP  71   5.481  12.925   9.575
  545    HB2  ASP  71           1HB      ASP  71   7.521  12.083   8.494
  546    HB3  ASP  71           2HB      ASP  71   6.583  10.849   7.645
  547    H    CYS  72           H        CYS  72   4.242   9.677   8.793
  548    HA   CYS  72           HA       CYS  72   1.844  10.839   7.466
  549    HB2  CYS  72           1HB      CYS  72   2.688   7.960   7.860
  550    HB3  CYS  72           2HB      CYS  72   1.297   8.516   6.939
  551    H    ASN  73           H        ASN  73   2.663  10.365  10.645
  552    HA   ASN  73           HA       ASN  73   1.530  10.196  12.584
  553    HB2  ASN  73           1HB      ASN  73   0.943  12.405  11.576
  554    HB3  ASN  73           2HB      ASN  73  -0.554  11.701  10.961
  555   HD21  ASN  73          2HD2      ASN  73  -1.825  13.205  12.236
  556   HD22  ASN  73          1HD2      ASN  73  -1.955  13.011  13.975
  557    H    VAL  74           H        VAL  74   1.401   7.776  11.700
  558    HA   VAL  74           HA       VAL  74  -1.293   6.760  12.339
  559    HB   VAL  74           HB       VAL  74  -1.229   7.165   9.893
  560   HG11  VAL  74          1HG1      VAL  74   1.173   6.711   9.451
  561   HG12  VAL  74          2HG1      VAL  74   0.899   4.988   9.788
  562   HG13  VAL  74          3HG1      VAL  74   0.105   5.758   8.408
  563   HG21  VAL  74          3HG2      VAL  74  -2.179   5.053   9.243
  564   HG22  VAL  74          1HG2      VAL  74  -1.400   4.220  10.602
  565   HG23  VAL  74          2HG2      VAL  74  -2.670   5.429  10.903
  566    H    LYS  75           H        LYS  75  -1.384   4.678  13.035
  567    HA   LYS  75           HA       LYS  75   1.121   3.628  14.233
  568    HB2  LYS  75           1HB      LYS  75  -0.950   4.450  15.485
  569    HB3  LYS  75           2HB      LYS  75  -1.784   3.016  14.874
  570    HG2  LYS  75           1HG      LYS  75  -0.005   1.614  16.068
  571    HG3  LYS  75           2HG      LYS  75   0.642   3.130  16.719
  572    HD2  LYS  75           1HD      LYS  75  -0.841   2.462  18.431
  573    HD3  LYS  75           2HD      LYS  75  -1.827   3.587  17.508
  574    HE2  LYS  75           1HE      LYS  75  -2.379   1.217  16.205
  575    HE3  LYS  75           2HE      LYS  75  -1.996   0.610  17.825
  576    HZ1  LYS  75           3HZ      LYS  75  -4.308   1.043  17.760
  577    HZ2  LYS  75           1HZ      LYS  75  -3.708   2.310  18.609
  578    HZ3  LYS  75           2HZ      LYS  75  -4.140   2.476  17.016
  579    H    CYS  76           H        CYS  76   1.901   1.611  13.705
  580    HA   CYS  76           HA       CYS  76   1.335   0.166  11.408
  581    HB2  CYS  76           1HB      CYS  76   2.329  -0.906  14.084
  582    HB3  CYS  76           2HB      CYS  76   2.527  -1.692  12.525
  583    H    SER  77           H        SER  77  -0.216  -0.411  14.608
  584    HA   SER  77           HA       SER  77  -1.634  -2.784  13.671
  585    HB2  SER  77           1HB      SER  77  -0.897  -2.297  16.040
  586    HB3  SER  77           2HB      SER  77  -2.239  -1.143  16.142
  587    HG   SER  77           HG       SER  77  -2.784  -3.265  16.924
  588    H    ASP  78           H        ASP  78  -2.368   0.658  13.539
  589    HA   ASP  78           HA       ASP  78  -5.227   0.297  12.965
  590    HB2  ASP  78           1HB      ASP  78  -3.321   2.622  13.091
  591    HB3  ASP  78           2HB      ASP  78  -4.695   2.764  12.019
  592    H    LEU  79           H        LEU  79  -2.338  -0.294  11.209
  593    HA   LEU  79           HA       LEU  79  -3.585   0.171   8.571
  594    HB2  LEU  79           1HB      LEU  79  -1.006  -1.315   9.168
  595    HB3  LEU  79           2HB      LEU  79  -1.553  -0.627   7.644
  596    HG   LEU  79           HG       LEU  79  -0.614   0.918  10.086
  597   HD11  LEU  79          1HD1      LEU  79   1.168  -0.066   8.755
  598   HD12  LEU  79          2HD1      LEU  79   0.452   0.561   7.258
  599   HD13  LEU  79          3HD1      LEU  79   1.125   1.679   8.461
  600   HD21  LEU  79          3HD2      LEU  79  -0.878   2.941   8.595
  601   HD22  LEU  79          1HD2      LEU  79  -1.802   1.922   7.480
  602   HD23  LEU  79          2HD2      LEU  79  -2.417   2.235   9.115
  603    H    LEU  80           H        LEU  80  -3.825  -2.224  10.926
  604    HA   LEU  80           HA       LEU  80  -4.242  -4.459   9.032
  605    HB2  LEU  80           1HB      LEU  80  -4.223  -4.498  12.061
  606    HB3  LEU  80           2HB      LEU  80  -4.146  -5.883  10.981
  607    HG   LEU  80           HG       LEU  80  -1.987  -3.768  11.309
  608   HD11  LEU  80          1HD1      LEU  80  -2.253  -5.255  13.266
  609   HD12  LEU  80          2HD1      LEU  80  -2.096  -6.678  12.213
  610   HD13  LEU  80          3HD1      LEU  80  -0.727  -5.567  12.427
  611   HD21  LEU  80          3HD2      LEU  80  -0.556  -5.309   9.971
  612   HD22  LEU  80          1HD2      LEU  80  -1.979  -6.313   9.635
  613   HD23  LEU  80          2HD2      LEU  80  -1.891  -4.636   9.036
  614    H    THR  81           H        THR  81  -6.167  -2.044   9.832
  615    HA   THR  81           HA       THR  81  -8.569  -3.258  10.875
  616    HB   THR  81           HB       THR  81  -9.612  -1.079  10.066
  617    HG1  THR  81           1HG      THR  81  -8.201  -0.534   8.400
  618   HG21  THR  81          3HG2      THR  81  -8.453   0.302  11.733
  619   HG22  THR  81          1HG2      THR  81  -8.733  -1.332  12.357
  620   HG23  THR  81          2HG2      THR  81  -7.113  -0.860  11.802
  621    H    ASP  82           H        ASP  82 -10.639  -3.260   9.752
  622    HA   ASP  82           HA       ASP  82 -10.450  -4.848   7.322
  623    HB2  ASP  82           1HB      ASP  82 -12.902  -3.863   8.825
  624    HB3  ASP  82           2HB      ASP  82 -12.867  -5.139   7.607
  625    H    ASP  83           H        ASP  83 -10.360  -1.607   7.640
  626    HA   ASP  83           HA       ASP  83 -11.259  -1.178   4.835
  627    HB2  ASP  83           1HB      ASP  83 -12.756   0.036   6.453
  628    HB3  ASP  83           2HB      ASP  83 -11.351   0.943   7.015
  629    H    ILE  84           H        ILE  84  -9.640  -0.602   3.592
  630    HA   ILE  84           HA       ILE  84  -6.928  -0.686   4.537
  631    HB   ILE  84           HB       ILE  84  -6.319  -0.572   2.229
  632   HG12  ILE  84          1HG1      ILE  84  -9.131   0.455   1.628
  633   HG13  ILE  84          2HG1      ILE  84  -7.650   1.411   1.626
  634   HG21  ILE  84          1HG2      ILE  84  -7.566  -2.643   2.984
  635   HG22  ILE  84          2HG2      ILE  84  -9.033  -1.974   2.258
  636   HG23  ILE  84          3HG2      ILE  84  -7.649  -2.368   1.245
  637   HD11  ILE  84          3HD1      ILE  84  -8.275   0.922  -0.617
  638   HD12  ILE  84          1HD1      ILE  84  -6.736   0.107  -0.215
  639   HD13  ILE  84          2HD1      ILE  84  -8.260  -0.821  -0.313
  640    H    THR  85           H        THR  85  -9.061   1.944   4.439
  641    HA   THR  85           HA       THR  85  -7.698   4.051   3.320
  642    HB   THR  85           HB       THR  85  -9.994   4.105   3.976
  643    HG1  THR  85           1HG      THR  85  -9.971   6.261   4.580
  644   HG21  THR  85          3HG2      THR  85 -10.748   4.598   6.203
  645   HG22  THR  85          1HG2      THR  85  -9.787   3.115   6.273
  646   HG23  THR  85          2HG2      THR  85  -9.083   4.654   6.825
  647    H    LYS  86           H        LYS  86  -7.158   2.964   6.686
  648    HA   LYS  86           HA       LYS  86  -5.435   5.155   7.380
  649    HB2  LYS  86           1HB      LYS  86  -5.764   2.337   8.436
  650    HB3  LYS  86           2HB      LYS  86  -4.618   3.477   9.144
  651    HG2  LYS  86           1HG      LYS  86  -6.196   4.581  10.270
  652    HG3  LYS  86           2HG      LYS  86  -7.214   4.791   8.844
  653    HD2  LYS  86           1HD      LYS  86  -8.136   2.539   9.114
  654    HD3  LYS  86           2HD      LYS  86  -7.139   2.268  10.548
  655    HE2  LYS  86           1HE      LYS  86  -9.271   4.430  10.280
  656    HE3  LYS  86           2HE      LYS  86  -9.502   2.864  11.066
  657    HZ1  LYS  86           3HZ      LYS  86  -8.994   4.506  12.721
  658    HZ2  LYS  86           1HZ      LYS  86  -7.711   3.492  12.648
  659    HZ3  LYS  86           2HZ      LYS  86  -7.626   4.974  11.965
  660    H    ALA  87           H        ALA  87  -4.787   2.228   5.540
  661    HA   ALA  87           HA       ALA  87  -1.856   2.728   5.476
  662    HB1  ALA  87           1HB      ALA  87  -2.875   0.390   5.649
  663    HB2  ALA  87           2HB      ALA  87  -3.501   0.616   3.997
  664    HB3  ALA  87           3HB      ALA  87  -1.747   0.629   4.310
  665    H    ALA  88           H        ALA  88  -4.702   2.855   3.319
  666    HA   ALA  88           HA       ALA  88  -3.338   3.598   0.960
  667    HB1  ALA  88           1HB      ALA  88  -5.680   2.728   1.145
  668    HB2  ALA  88           2HB      ALA  88  -6.184   4.310   1.800
  669    HB3  ALA  88           3HB      ALA  88  -5.544   4.185   0.156
  670    H    LYS  89           H        LYS  89  -4.777   5.780   3.453
  671    HA   LYS  89           HA       LYS  89  -4.096   8.222   2.103
  672    HB2  LYS  89           1HB      LYS  89  -4.584   7.501   5.013
  673    HB3  LYS  89           2HB      LYS  89  -4.331   9.164   4.458
  674    HG2  LYS  89           1HG      LYS  89  -6.311   9.091   3.048
  675    HG3  LYS  89           2HG      LYS  89  -6.526   7.368   3.331
  676    HD2  LYS  89           1HD      LYS  89  -8.130   8.593   4.670
  677    HD3  LYS  89           2HD      LYS  89  -6.988   7.744   5.699
  678    HE2  LYS  89           1HE      LYS  89  -7.373   9.898   6.670
  679    HE3  LYS  89           2HE      LYS  89  -5.724   9.883   6.047
  680    HZ1  LYS  89           3HZ      LYS  89  -6.899  11.935   5.476
  681    HZ2  LYS  89           1HZ      LYS  89  -6.532  11.129   4.104
  682    HZ3  LYS  89           2HZ      LYS  89  -8.064  11.112   4.683
  683    H    CYS  90           H        CYS  90  -2.206   6.197   4.329
  684    HA   CYS  90           HA       CYS  90   0.091   8.003   4.470
  685    HB2  CYS  90           1HB      CYS  90  -0.335   6.379   6.203
  686    HB3  CYS  90           2HB      CYS  90  -0.275   5.043   5.054
  687    H    ALA  91           H        ALA  91  -0.779   5.201   2.390
  688    HA   ALA  91           HA       ALA  91   1.548   5.176   0.795
  689    HB1  ALA  91           1HB      ALA  91  -0.208   3.422   0.877
  690    HB2  ALA  91           2HB      ALA  91  -1.303   4.490  -0.015
  691    HB3  ALA  91           3HB      ALA  91   0.187   3.920  -0.783
  692    H    LYS  92           H        LYS  92  -1.414   7.281   0.346
  693    HA   LYS  92           HA       LYS  92  -0.416   8.575  -1.988
  694    HB2  LYS  92           1HB      LYS  92  -2.029   9.891   0.234
  695    HB3  LYS  92           2HB      LYS  92  -1.883  10.423  -1.433
  696    HG2  LYS  92           1HG      LYS  92  -3.387   8.029  -0.366
  697    HG3  LYS  92           2HG      LYS  92  -4.030   9.453  -1.100
  698    HD2  LYS  92           1HD      LYS  92  -2.523   7.190  -2.443
  699    HD3  LYS  92           2HD      LYS  92  -4.211   7.618  -2.642
  700    HE2  LYS  92           1HE      LYS  92  -1.845   9.326  -3.560
  701    HE3  LYS  92           2HE      LYS  92  -2.789   8.255  -4.593
  702    HZ1  LYS  92           3HZ      LYS  92  -3.531  10.566  -4.746
  703    HZ2  LYS  92           1HZ      LYS  92  -4.739   9.624  -4.195
  704    HZ3  LYS  92           2HZ      LYS  92  -3.920  10.598  -3.160
  705    H    LYS  93           H        LYS  93   0.209   9.397   1.474
  706    HA   LYS  93           HA       LYS  93   1.837  11.676   0.786
  707    HB2  LYS  93           1HB      LYS  93   0.664  11.353   2.968
  708    HB3  LYS  93           2HB      LYS  93   1.888  10.149   3.413
  709    HG2  LYS  93           1HG      LYS  93   3.666  11.827   3.234
  710    HG3  LYS  93           2HG      LYS  93   2.544  12.998   2.524
  711    HD2  LYS  93           1HD      LYS  93   1.289  13.055   4.690
  712    HD3  LYS  93           2HD      LYS  93   2.527  11.977   5.389
  713    HE2  LYS  93           1HE      LYS  93   4.290  13.619   4.804
  714    HE3  LYS  93           2HE      LYS  93   3.084  14.685   4.075
  715    HZ1  LYS  93           3HZ      LYS  93   3.678  15.350   6.336
  716    HZ2  LYS  93           1HZ      LYS  93   2.087  14.961   6.266
  717    HZ3  LYS  93           2HZ      LYS  93   3.167  13.924   6.940
  718    H    ILE  94           H        ILE  94   2.628   8.254   1.045
  719    HA   ILE  94           HA       ILE  94   5.514   8.655   0.711
  720    HB   ILE  94           HB       ILE  94   3.761   6.242   0.081
  721   HG12  ILE  94          1HG1      ILE  94   5.672   6.716   2.403
  722   HG13  ILE  94          2HG1      ILE  94   3.951   6.981   2.536
  723   HG21  ILE  94          1HG2      ILE  94   5.783   6.209  -1.287
  724   HG22  ILE  94          2HG2      ILE  94   6.785   6.645   0.107
  725   HG23  ILE  94          3HG2      ILE  94   5.995   5.048   0.018
  726   HD11  ILE  94          3HD1      ILE  94   4.424   4.830   3.466
  727   HD12  ILE  94          1HD1      ILE  94   3.536   4.579   1.953
  728   HD13  ILE  94          2HD1      ILE  94   5.294   4.306   2.017
  729    H    TYR  95           H        TYR  95   2.854   7.959  -1.628
  730    HA   TYR  95           HA       TYR  95   4.394   8.063  -3.962
  731    HB2  TYR  95           1HB      TYR  95   2.381   7.206  -4.357
  732    HB3  TYR  95           2HB      TYR  95   1.532   8.263  -3.244
  733    HD1  TYR  95           2HD      TYR  95   1.017  10.669  -3.941
  734    HD2  TYR  95           1HD      TYR  95   2.142   7.552  -6.694
  735    HE1  TYR  95           2HE      TYR  95   0.051  11.983  -5.821
  736    HE2  TYR  95           1HE      TYR  95   1.215   8.875  -8.579
  737    HH   TYR  95           HH       TYR  95   0.148  10.818  -9.214
  738    H    LYS  96           H        LYS  96   3.120  10.778  -2.123
  739    HA   LYS  96           HA       LYS  96   3.772  12.965  -3.768
  740    HB2  LYS  96           1HB      LYS  96   3.129  12.309  -0.973
  741    HB3  LYS  96           2HB      LYS  96   4.325  13.573  -1.025
  742    HG2  LYS  96           1HG      LYS  96   2.133  14.548  -0.946
  743    HG3  LYS  96           2HG      LYS  96   2.882  14.920  -2.507
  744    HD2  LYS  96           1HD      LYS  96   1.477  13.164  -3.592
  745    HD3  LYS  96           2HD      LYS  96   0.814  12.736  -2.011
  746    HE2  LYS  96           1HE      LYS  96  -0.809  14.091  -3.129
  747    HE3  LYS  96           2HE      LYS  96  -0.145  15.018  -1.782
  748    HZ1  LYS  96           3HZ      LYS  96  -0.323  16.348  -3.806
  749    HZ2  LYS  96           1HZ      LYS  96   1.246  16.220  -3.380
  750    HZ3  LYS  96           2HZ      LYS  96   0.657  15.335  -4.629
  751    H    ARG  97           H        ARG  97   6.037  10.823  -2.218
  752    HA   ARG  97           HA       ARG  97   8.316  12.639  -2.966
  753    HB2  ARG  97           1HB      ARG  97   8.210  10.447  -0.858
  754    HB3  ARG  97           2HB      ARG  97   9.640  11.375  -1.288
  755    HG2  ARG  97           1HG      ARG  97   7.116  12.569  -0.041
  756    HG3  ARG  97           2HG      ARG  97   8.549  12.060   0.835
  757    HD2  ARG  97           1HD      ARG  97   8.739  14.392   0.641
  758    HD3  ARG  97           2HD      ARG  97   9.912  13.714  -0.500
  759    HE   ARG  97           HE       ARG  97   7.437  14.192  -1.852
  760   HH11  ARG  97          1HH1      ARG  97  10.079  16.126  -0.511
  761   HH12  ARG  97          2HH1      ARG  97   9.816  17.409  -1.655
  762   HH21  ARG  97          1HH2      ARG  97   7.165  15.804  -3.265
  763   HH22  ARG  97          2HH2      ARG  97   8.160  17.238  -3.206
  764    H    HIS  98           H        HIS  98   7.094   9.313  -2.980
  765    HA   HIS  98           HA       HIS  98   8.773   8.633  -5.352
  766    HB2  HIS  98           1HB      HIS  98   8.588   7.064  -2.749
  767    HB3  HIS  98           2HB      HIS  98   9.357   6.487  -4.224
  768    HD2  HIS  98           2HD      HIS  98  10.060   8.377  -1.086
  769    HE1  HIS  98           1HE      HIS  98  13.448   9.094  -3.564
  770    HE2  HIS  98           2HE      HIS  98  12.518   9.316  -1.203
  771    H    ARG  99           H        ARG  99   6.876   8.684  -6.634
  772    HA   ARG  99           HA       ARG  99   4.362   7.909  -6.081
  773    HB2  ARG  99           1HB      ARG  99   3.875   7.720  -8.366
  774    HB3  ARG  99           2HB      ARG  99   4.812   9.145  -7.923
  775    HG2  ARG  99           1HG      ARG  99   6.872   8.087  -8.867
  776    HG3  ARG  99           2HG      ARG  99   5.900   6.657  -9.329
  777    HD2  ARG  99           1HD      ARG  99   4.350   8.135 -10.538
  778    HD3  ARG  99           2HD      ARG  99   5.358   9.530 -10.126
  779    HE   ARG  99           HE       ARG  99   7.057   7.669 -11.396
  780   HH11  ARG  99          1HH2      ARG  99   4.254   9.591 -12.384
  781   HH12  ARG  99          2HH2      ARG  99   4.749   9.621 -14.050
  782   HH21  ARG  99          1HH1      ARG  99   7.637   7.749 -13.560
  783   HH22  ARG  99          2HH1      ARG  99   6.639   8.596 -14.702
  784    H    PHE 100           H        PHE 100   6.766   5.653  -7.408
  785    HA   PHE 100           HA       PHE 100   5.288   3.373  -6.197
  786    HB2  PHE 100           1HB      PHE 100   6.417   3.326  -9.005
  787    HB3  PHE 100           2HB      PHE 100   5.570   2.031  -8.157
  788    HD1  PHE 100           1HD      PHE 100   3.129   2.626  -7.304
  789    HD2  PHE 100           2HD      PHE 100   5.171   4.622 -10.533
  790    HE1  PHE 100           1HE      PHE 100   0.963   3.396  -8.191
  791    HE2  PHE 100           2HE      PHE 100   2.991   5.416 -11.414
  792    HZ   PHE 100           HZ       PHE 100   0.881   4.800 -10.243
  793    H    ASP 101           H        ASP 101   8.289   4.972  -6.750
  794    HA   ASP 101           HA       ASP 101  10.063   2.750  -6.858
  795    HB2  ASP 101           1HB      ASP 101  10.471   5.040  -7.740
  796    HB3  ASP 101           2HB      ASP 101  10.577   5.649  -6.090
  797    H    ALA 102           H        ALA 102   8.416   4.051  -4.145
  798    HA   ALA 102           HA       ALA 102  10.304   3.299  -2.066
  799    HB1  ALA 102           1HB      ALA 102   8.598   5.011  -1.696
  800    HB2  ALA 102           2HB      ALA 102   7.303   3.832  -2.001
  801    HB3  ALA 102           3HB      ALA 102   8.352   3.659  -0.583
  802    H    TRP 103           H        TRP 103   8.501   1.378  -4.195
  803    HA   TRP 103           HA       TRP 103   8.616  -0.988  -2.367
  804    HB2  TRP 103           1HB      TRP 103   6.477  -0.281  -4.407
  805    HB3  TRP 103           2HB      TRP 103   6.541  -1.753  -3.451
  806    HD1  TRP 103           HD       TRP 103   5.986  -1.579  -0.856
  807    HE1  TRP 103           1HE      TRP 103   4.448  -0.024   0.442
  808    HE3  TRP 103           3HE      TRP 103   5.834   2.309  -4.171
  809    HZ2  TRP 103           2HZ      TRP 103   3.266   2.613   0.080
  810    HZ3  TRP 103           3HZ      TRP 103   4.488   4.329  -3.682
  811    HH2  TRP 103           HH       TRP 103   3.169   4.480  -1.577
  812    H    TYR 104           H        TYR 104   9.825  -2.544  -3.018
  813    HA   TYR 104           HA       TYR 104  11.397  -2.227  -5.358
  814    HB2  TYR 104           1HB      TYR 104  12.053  -3.069  -3.073
  815    HB3  TYR 104           2HB      TYR 104  11.269  -4.596  -3.461
  816    HD1  TYR 104           2HD      TYR 104  13.767  -2.163  -4.836
  817    HD2  TYR 104           1HD      TYR 104  12.635  -6.292  -4.384
  818    HE1  TYR 104           2HE      TYR 104  15.894  -2.860  -5.951
  819    HE2  TYR 104           1HE      TYR 104  14.767  -7.003  -5.463
  820    HH   TYR 104           HH       TYR 104  17.182  -4.634  -6.667
  821    H    GLY 105           H        GLY 105   8.778  -4.562  -4.722
  822    HA2  GLY 105           1HA      GLY 105   9.232  -6.252  -7.008
  823    HA3  GLY 105           2HA      GLY 105   7.724  -6.106  -6.114
  824    H    TRP 106           H        TRP 106   7.623  -3.105  -6.750
  825    HA   TRP 106           HA       TRP 106   6.133  -3.329  -9.184
  826    HB2  TRP 106           1HB      TRP 106   5.453  -1.713  -7.626
  827    HB3  TRP 106           2HB      TRP 106   7.035  -0.932  -7.601
  828    HD1  TRP 106           HD       TRP 106   3.891  -1.246  -9.773
  829    HE1  TRP 106           1HE      TRP 106   3.956   0.503 -11.655
  830    HE3  TRP 106           3HE      TRP 106   8.570   0.624  -8.957
  831    HZ2  TRP 106           2HZ      TRP 106   5.828   2.468 -12.683
  832    HZ3  TRP 106           3HZ      TRP 106   9.515   2.365 -10.429
  833    HH2  TRP 106           HH       TRP 106   8.148   3.311 -12.296
  834    H    LYS 107           H        LYS 107   9.360  -1.994  -8.445
  835    HA   LYS 107           HA       LYS 107   9.938  -1.362 -11.241
  836    HB2  LYS 107           1HB      LYS 107  12.128  -0.622 -10.363
  837    HB3  LYS 107           2HB      LYS 107  10.732   0.182  -9.662
  838    HG2  LYS 107           1HG      LYS 107  10.896  -1.282  -7.652
  839    HG3  LYS 107           2HG      LYS 107  12.372  -2.006  -8.318
  840    HD2  LYS 107           1HD      LYS 107  11.924   0.918  -7.583
  841    HD3  LYS 107           2HD      LYS 107  12.813  -0.264  -6.617
  842    HE2  LYS 107           1HE      LYS 107  14.495  -0.514  -8.421
  843    HE3  LYS 107           2HE      LYS 107  13.594   0.631  -9.428
  844    HZ1  LYS 107           3HZ      LYS 107  15.379   1.770  -8.300
  845    HZ2  LYS 107           1HZ      LYS 107  13.945   2.321  -7.717
  846    HZ3  LYS 107           2HZ      LYS 107  14.852   1.286  -6.828
  847    H    ASN 108           H        ASN 108  10.397  -4.217  -9.329
  848    HA   ASN 108           HA       ASN 108  12.388  -5.295 -11.249
  849    HB2  ASN 108           1HB      ASN 108  11.306  -6.237  -8.581
  850    HB3  ASN 108           2HB      ASN 108  12.194  -7.303  -9.658
  851   HD21  ASN 108          2HD2      ASN 108  14.078  -7.571  -8.475
  852   HD22  ASN 108          1HD2      ASN 108  15.149  -6.235  -8.080
  853    H    HIS 109           H        HIS 109   8.946  -5.840 -10.426
  854    HA   HIS 109           HA       HIS 109   8.845  -7.978 -12.536
  855    HB2  HIS 109           1HB      HIS 109   7.237  -7.783  -9.970
  856    HB3  HIS 109           2HB      HIS 109   7.246  -9.111 -11.126
  857    HD2  HIS 109           2HD      HIS 109   8.613  -8.311  -7.879
  858    HE1  HIS 109           1HE      HIS 109  11.595 -10.854  -9.538
  859    HE2  HIS 109           2HE      HIS 109  10.744  -9.777  -7.390
  860    H    CYS 110           H        CYS 110   7.012  -5.215 -11.190
  861    HA   CYS 110           HA       CYS 110   4.737  -5.703 -12.968
  862    HB2  CYS 110           1HB      CYS 110   5.277  -3.282 -11.235
  863    HB3  CYS 110           2HB      CYS 110   3.743  -3.791 -11.914
  864    H    GLN 111           H        GLN 111   7.692  -4.456 -13.762
  865    HA   GLN 111           HA       GLN 111   6.877  -2.196 -15.426
  866    HB2  GLN 111           1HB      GLN 111   9.436  -3.863 -15.459
  867    HB3  GLN 111           2HB      GLN 111   9.195  -2.324 -16.281
  868    HG2  GLN 111           1HG      GLN 111   9.220  -2.762 -13.267
  869    HG3  GLN 111           2HG      GLN 111  10.496  -2.039 -14.231
  870   HE21  GLN 111          2HE2      GLN 111   7.729  -1.322 -12.351
  871   HE22  GLN 111          1HE2      GLN 111   7.598   0.361 -12.850
  872    H    GLY 112           H        GLY 112   7.306  -5.688 -15.999
  873    HA2  GLY 112           1HA      GLY 112   7.228  -5.399 -18.920
  874    HA3  GLY 112           2HA      GLY 112   7.331  -6.904 -17.979
  875    H    SER 113           H        SER 113   4.924  -6.268 -16.390
  876    HA   SER 113           HA       SER 113   2.673  -6.407 -18.312
  877    HB2  SER 113           1HB      SER 113   3.505  -8.716 -16.506
  878    HB3  SER 113           2HB      SER 113   1.938  -8.582 -17.314
  879    HG   SER 113           HG       SER 113   3.431  -9.892 -18.492
  880    H    LEU 114           H        LEU 114   0.891  -5.500 -17.444
  881    HA   LEU 114           HA       LEU 114   0.500  -5.456 -14.489
  882    HB2  LEU 114           1HB      LEU 114  -0.240  -3.433 -16.647
  883    HB3  LEU 114           2HB      LEU 114  -0.836  -3.357 -14.997
  884    HG   LEU 114           HG       LEU 114   2.129  -3.237 -15.713
  885   HD11  LEU 114          1HD1      LEU 114   0.894  -1.357 -16.683
  886   HD12  LEU 114          2HD1      LEU 114   0.163  -0.999 -15.098
  887   HD13  LEU 114          3HD1      LEU 114   1.918  -0.819 -15.339
  888   HD21  LEU 114          3HD2      LEU 114   2.320  -2.275 -13.401
  889   HD22  LEU 114          1HD2      LEU 114   0.604  -2.646 -13.130
  890   HD23  LEU 114          2HD2      LEU 114   1.777  -3.956 -13.399
  891    HA   PRO 115           HA       PRO 115  -3.267  -7.655 -15.389
  892    HB2  PRO 115           1HB      PRO 115  -4.841  -7.057 -13.255
  893    HB3  PRO 115           2HB      PRO 115  -3.351  -8.044 -13.100
  894    HG2  PRO 115           1HG      PRO 115  -3.678  -5.068 -12.577
  895    HG3  PRO 115           2HG      PRO 115  -2.914  -6.302 -11.519
  896    HD2  PRO 115           1HD      PRO 115  -1.451  -4.728 -13.201
  897    HD3  PRO 115           2HD      PRO 115  -1.010  -6.440 -12.897
  898    H    ASP 116           H        ASP 116  -5.406  -7.370 -16.141
  899    HA   ASP 116           HA       ASP 116  -6.149  -4.702 -17.107
  900    HB2  ASP 116           1HB      ASP 116  -6.473  -6.629 -18.546
  901    HB3  ASP 116           2HB      ASP 116  -7.462  -7.429 -17.320
  902    H    ILE 117           H        ILE 117  -7.795  -3.510 -16.461
  903    HA   ILE 117           HA       ILE 117  -9.421  -4.213 -14.044
  904    HB   ILE 117           HB       ILE 117  -9.156  -1.921 -13.227
  905   HG12  ILE 117          1HG1      ILE 117  -7.058  -1.520 -15.414
  906   HG13  ILE 117          2HG1      ILE 117  -8.704  -0.902 -15.516
  907   HG21  ILE 117          1HG2      ILE 117  -7.633  -3.735 -12.431
  908   HG22  ILE 117          2HG2      ILE 117  -6.418  -3.205 -13.612
  909   HG23  ILE 117          3HG2      ILE 117  -6.926  -2.121 -12.302
  910   HD11  ILE 117          3HD1      ILE 117  -7.263   0.846 -14.786
  911   HD12  ILE 117          1HD1      ILE 117  -8.367   0.405 -13.463
  912   HD13  ILE 117          2HD1      ILE 117  -6.665  -0.141 -13.433
  913    H    SER 118           H        SER 118  -9.579  -3.415 -17.269
  914    HA   SER 118           HA       SER 118 -11.610  -1.377 -17.257
  915    HB2  SER 118           1HB      SER 118 -11.851  -1.848 -19.626
  916    HB3  SER 118           2HB      SER 118 -10.150  -1.739 -19.170
  917    HG   SER 118           HG       SER 118  -9.987  -3.990 -19.270
  918    H    SER 119           H        SER 119 -11.938  -4.670 -16.452
  919    HA   SER 119           HA       SER 119 -14.834  -4.846 -16.986
  920    HB2  SER 119           1HB      SER 119 -14.541  -7.030 -15.801
  921    HB3  SER 119           2HB      SER 119 -13.530  -6.843 -17.245
  922    HG   SER 119           HG       SER 119 -12.353  -7.712 -15.451
  923    H    CYS 120           H        CYS 120 -12.885  -3.426 -14.565
  924    HA   CYS 120           HA       CYS 120 -14.685  -3.972 -12.300
  925    HB2  CYS 120           1HB      CYS 120 -12.159  -2.309 -12.453
  926    HB3  CYS 120           2HB      CYS 120 -12.963  -2.869 -10.993
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  -9.334  -7.493  10.213
    2    H2   GLY   1           2H       GLY   1  -8.096  -8.554  10.438
    3    H3   GLY   1           3H       GLY   1  -7.856  -6.945  10.703
    4    HA2  GLY   1           1HA      GLY   1  -8.253  -6.452   8.394
    5    HA3  GLY   1           2HA      GLY   1  -6.860  -7.520   8.624
    6    H    LYS   2           H        LYS   2  -7.967  -7.434   6.202
    7    HA   LYS   2           HA       LYS   2  -9.187 -10.059   5.737
    8    HB2  LYS   2           1HB      LYS   2 -11.183  -9.215   4.674
    9    HB3  LYS   2           2HB      LYS   2 -11.117  -8.592   6.321
   10    HG2  LYS   2           1HG      LYS   2 -10.267  -6.411   5.477
   11    HG3  LYS   2           2HG      LYS   2 -10.329  -7.019   3.820
   12    HD2  LYS   2           1HD      LYS   2 -12.747  -6.754   5.650
   13    HD3  LYS   2           2HD      LYS   2 -12.243  -5.563   4.440
   14    HE2  LYS   2           1HE      LYS   2 -12.468  -7.274   2.647
   15    HE3  LYS   2           2HE      LYS   2 -13.032  -8.449   3.844
   16    HZ1  LYS   2           3HZ      LYS   2 -14.887  -7.383   2.711
   17    HZ2  LYS   2           1HZ      LYS   2 -14.922  -6.986   4.294
   18    HZ3  LYS   2           2HZ      LYS   2 -14.401  -5.899   3.187
   19    H    THR   3           H        THR   3  -9.478 -10.534   3.439
   20    HA   THR   3           HA       THR   3  -7.406  -9.225   1.749
   21    HB   THR   3           HB       THR   3  -8.581 -11.971   1.275
   22    HG1  THR   3           1HG      THR   3  -6.795 -12.743   2.403
   23   HG21  THR   3          3HG2      THR   3  -6.373 -12.247   0.099
   24   HG22  THR   3          1HG2      THR   3  -7.352 -10.959  -0.616
   25   HG23  THR   3          2HG2      THR   3  -6.001 -10.546   0.459
   26    H    PHE   4           H        PHE   4  -7.886  -8.282  -0.066
   27    HA   PHE   4           HA       PHE   4 -10.704  -8.103  -0.998
   28    HB2  PHE   4           1HB      PHE   4  -8.223  -6.404  -1.459
   29    HB3  PHE   4           2HB      PHE   4  -9.715  -6.137  -2.319
   30    HD1  PHE   4           1HD      PHE   4  -8.293  -6.254   1.176
   31    HD2  PHE   4           2HD      PHE   4 -11.412  -4.745  -1.405
   32    HE1  PHE   4           1HE      PHE   4  -9.204  -4.917   3.046
   33    HE2  PHE   4           2HE      PHE   4 -12.313  -3.415   0.473
   34    HZ   PHE   4           HZ       PHE   4 -11.228  -3.512   2.712
   35    H    THR   5           H        THR   5 -11.120  -8.136  -3.252
   36    HA   THR   5           HA       THR   5  -9.335  -9.861  -4.933
   37    HB   THR   5           HB       THR   5 -11.633 -10.706  -4.639
   38    HG1  THR   5           1HG      THR   5 -11.816 -11.089  -6.846
   39   HG21  THR   5          3HG2      THR   5 -13.513  -9.657  -5.752
   40   HG22  THR   5          1HG2      THR   5 -12.868  -8.498  -4.583
   41   HG23  THR   5          2HG2      THR   5 -12.512  -8.312  -6.318
   42    H    ARG   6           H        ARG   6  -9.095  -9.091  -7.241
   43    HA   ARG   6           HA       ARG   6  -7.993  -6.491  -7.210
   44    HB2  ARG   6           1HB      ARG   6  -7.395  -8.325  -8.786
   45    HB3  ARG   6           2HB      ARG   6  -8.878  -8.006  -9.695
   46    HG2  ARG   6           1HG      ARG   6  -8.116  -5.680 -10.132
   47    HG3  ARG   6           2HG      ARG   6  -6.662  -5.957  -9.164
   48    HD2  ARG   6           1HD      ARG   6  -7.408  -7.446 -11.712
   49    HD3  ARG   6           2HD      ARG   6  -6.274  -6.093 -11.614
   50    HE   ARG   6           HE       ARG   6  -5.091  -7.685  -9.844
   51   HH11  ARG   6          1HH1      ARG   6  -6.539  -8.833 -12.876
   52   HH12  ARG   6          2HH1      ARG   6  -5.407 -10.145 -13.002
   53   HH21  ARG   6          1HH2      ARG   6  -3.586  -9.214 -10.171
   54   HH22  ARG   6          2HH2      ARG   6  -3.759 -10.388 -11.461
   55    H    CYS   7           H        CYS   7 -11.169  -7.497  -8.574
   56    HA   CYS   7           HA       CYS   7 -11.997  -4.913  -9.456
   57    HB2  CYS   7           1HB      CYS   7 -13.720  -7.210  -8.454
   58    HB3  CYS   7           2HB      CYS   7 -14.258  -5.856  -9.445
   59    H    GLY   8           H        GLY   8 -12.203  -6.367  -6.229
   60    HA2  GLY   8           1HA      GLY   8 -13.808  -4.238  -5.040
   61    HA3  GLY   8           2HA      GLY   8 -12.881  -5.499  -4.184
   62    H    LEU   9           H        LEU   9 -10.295  -5.038  -5.092
   63    HA   LEU   9           HA       LEU   9  -9.403  -2.808  -3.589
   64    HB2  LEU   9           1HB      LEU   9  -8.127  -4.899  -4.046
   65    HB3  LEU   9           2HB      LEU   9  -8.014  -4.462  -5.752
   66    HG   LEU   9           HG       LEU   9  -6.727  -2.436  -5.152
   67   HD11  LEU   9          1HD1      LEU   9  -7.543  -1.939  -2.921
   68   HD12  LEU   9          2HD1      LEU   9  -6.992  -3.513  -2.319
   69   HD13  LEU   9          3HD1      LEU   9  -5.812  -2.263  -2.804
   70   HD21  LEU   9          3HD2      LEU   9  -4.659  -3.550  -4.639
   71   HD22  LEU   9          1HD2      LEU   9  -5.514  -4.925  -3.905
   72   HD23  LEU   9          2HD2      LEU   9  -5.616  -4.634  -5.658
   73    H    VAL  10           H        VAL  10  -9.617  -3.161  -7.178
   74    HA   VAL  10           HA       VAL  10  -8.755  -0.580  -7.928
   75    HB   VAL  10           HB       VAL  10 -10.912  -2.369  -9.116
   76   HG11  VAL  10          1HG1      VAL  10 -11.587  -0.224  -9.904
   77   HG12  VAL  10          2HG1      VAL  10  -9.924   0.309 -10.148
   78   HG13  VAL  10          3HG1      VAL  10 -10.631  -0.914 -11.214
   79   HG21  VAL  10          3HG2      VAL  10  -9.239  -2.783 -10.864
   80   HG22  VAL  10          1HG2      VAL  10  -8.106  -1.666 -10.082
   81   HG23  VAL  10          2HG2      VAL  10  -8.565  -3.177  -9.287
   82    H    HIS  11           H        HIS  11 -12.027  -1.584  -6.876
   83    HA   HIS  11           HA       HIS  11 -13.225   1.047  -7.039
   84    HB2  HIS  11           1HB      HIS  11 -14.017  -1.499  -5.580
   85    HB3  HIS  11           2HB      HIS  11 -14.979  -0.035  -5.566
   86    HD2  HIS  11           2HD      HIS  11 -13.575  -0.433  -9.020
   87    HE1  HIS  11           1HE      HIS  11 -17.418  -2.256  -9.137
   88    HE2  HIS  11           2HE      HIS  11 -15.495  -1.400 -10.555
   89    H    GLU  12           H        GLU  12 -11.777  -0.750  -4.300
   90    HA   GLU  12           HA       GLU  12 -12.447   1.128  -2.275
   91    HB2  GLU  12           1HB      GLU  12 -11.431  -1.365  -2.258
   92    HB3  GLU  12           2HB      GLU  12  -9.921  -0.499  -2.089
   93    HG2  GLU  12           1HG      GLU  12 -10.873  -1.183   0.068
   94    HG3  GLU  12           2HG      GLU  12 -10.770   0.580  -0.056
   95    H    LEU  13           H        LEU  13  -9.534   0.891  -4.326
   96    HA   LEU  13           HA       LEU  13  -8.245   3.227  -3.192
   97    HB2  LEU  13           1HB      LEU  13  -7.897   1.830  -5.857
   98    HB3  LEU  13           2HB      LEU  13  -6.747   2.963  -5.153
   99    HG   LEU  13           HG       LEU  13  -7.505   0.304  -3.915
  100   HD11  LEU  13          1HD1      LEU  13  -6.350  -0.002  -6.027
  101   HD12  LEU  13          2HD1      LEU  13  -5.079   1.147  -5.527
  102   HD13  LEU  13          3HD1      LEU  13  -5.258  -0.414  -4.687
  103   HD21  LEU  13          3HD2      LEU  13  -5.588   0.587  -2.466
  104   HD22  LEU  13          1HD2      LEU  13  -5.245   2.185  -3.179
  105   HD23  LEU  13          2HD2      LEU  13  -6.723   1.920  -2.224
  106    H    ARG  14           H        ARG  14 -10.364   2.760  -6.029
  107    HA   ARG  14           HA       ARG  14 -10.313   5.462  -6.983
  108    HB2  ARG  14           1HB      ARG  14 -12.419   3.293  -7.100
  109    HB3  ARG  14           2HB      ARG  14 -12.735   4.905  -7.739
  110    HG2  ARG  14           1HG      ARG  14 -11.004   4.752  -9.371
  111    HG3  ARG  14           2HG      ARG  14 -10.346   3.274  -8.651
  112    HD2  ARG  14           1HD      ARG  14 -12.367   2.036  -9.182
  113    HD3  ARG  14           2HD      ARG  14 -13.147   3.502  -9.822
  114    HE   ARG  14           HE       ARG  14 -10.756   3.125 -11.257
  115   HH11  ARG  14          1HH1      ARG  14 -13.885   1.487 -10.916
  116   HH12  ARG  14          2HH1      ARG  14 -13.693   0.623 -12.428
  117   HH21  ARG  14          1HH2      ARG  14 -10.662   2.010 -13.269
  118   HH22  ARG  14          2HH2      ARG  14 -11.968   0.937 -13.699
  119    H    LYS  15           H        LYS  15 -12.371   4.001  -4.405
  120    HA   LYS  15           HA       LYS  15 -13.741   6.471  -3.722
  121    HB2  LYS  15           1HB      LYS  15 -13.198   3.902  -2.190
  122    HB3  LYS  15           2HB      LYS  15 -14.176   5.222  -1.552
  123    HG2  LYS  15           1HG      LYS  15 -15.780   5.023  -3.389
  124    HG3  LYS  15           2HG      LYS  15 -14.840   3.730  -4.129
  125    HD2  LYS  15           1HD      LYS  15 -16.169   3.617  -1.384
  126    HD3  LYS  15           2HD      LYS  15 -16.779   2.862  -2.866
  127    HE2  LYS  15           1HE      LYS  15 -14.716   1.472  -3.008
  128    HE3  LYS  15           2HE      LYS  15 -14.119   2.215  -1.519
  129    HZ1  LYS  15           3HZ      LYS  15 -15.097   0.116  -1.032
  130    HZ2  LYS  15           1HZ      LYS  15 -16.021   1.275  -0.351
  131    HZ3  LYS  15           2HZ      LYS  15 -16.540   0.525  -1.717
  132    H    HIS  16           H        HIS  16 -10.712   4.991  -2.580
  133    HA   HIS  16           HA       HIS  16 -10.301   7.005  -0.531
  134    HB2  HIS  16           1HB      HIS  16  -8.618   4.665  -1.509
  135    HB3  HIS  16           2HB      HIS  16  -8.202   5.699  -0.142
  136    HD2  HIS  16           2HD      HIS  16  -8.361   3.057   0.918
  137    HE1  HIS  16           1HE      HIS  16 -12.484   3.426   1.819
  138    HE2  HIS  16           2HE      HIS  16 -10.401   2.118   2.333
  139    H    GLY  17           H        GLY  17  -9.864   7.396  -3.765
  140    HA2  GLY  17           1HA      GLY  17  -9.184   9.436  -4.690
  141    HA3  GLY  17           2HA      GLY  17  -8.223   9.802  -3.239
  142    H    PHE  18           H        PHE  18  -7.956   6.829  -5.205
  143    HA   PHE  18           HA       PHE  18  -5.152   7.516  -5.897
  144    HB2  PHE  18           1HB      PHE  18  -6.800   4.998  -6.048
  145    HB3  PHE  18           2HB      PHE  18  -5.229   5.134  -6.809
  146    HD1  PHE  18           2HD      PHE  18  -6.821   5.737  -3.419
  147    HD2  PHE  18           1HD      PHE  18  -3.329   4.539  -5.627
  148    HE1  PHE  18           2HE      PHE  18  -5.654   5.309  -1.320
  149    HE2  PHE  18           1HE      PHE  18  -2.177   3.979  -3.499
  150    HZ   PHE  18           HZ       PHE  18  -3.335   4.351  -1.335
  151    H    GLU  19           H        GLU  19  -4.342   7.306  -7.975
  152    HA   GLU  19           HA       GLU  19  -5.866   8.836  -9.869
  153    HB2  GLU  19           1HB      GLU  19  -3.160   7.482 -10.142
  154    HB3  GLU  19           2HB      GLU  19  -3.808   8.732 -11.183
  155    HG2  GLU  19           1HG      GLU  19  -2.177   9.708  -9.772
  156    HG3  GLU  19           2HG      GLU  19  -3.759  10.332  -9.304
  157    H    GLU  20           H        GLU  20  -7.240   8.038 -11.392
  158    HA   GLU  20           HA       GLU  20  -7.651   5.283 -11.815
  159    HB2  GLU  20           1HB      GLU  20  -9.199   5.910 -13.559
  160    HB3  GLU  20           2HB      GLU  20  -9.373   6.968 -12.161
  161    HG2  GLU  20           1HG      GLU  20  -8.038   8.727 -13.359
  162    HG3  GLU  20           2HG      GLU  20  -7.941   7.666 -14.766
  163    H    ASN  21           H        ASN  21  -5.436   7.435 -13.521
  164    HA   ASN  21           HA       ASN  21  -4.884   5.514 -15.656
  165    HB2  ASN  21           1HB      ASN  21  -3.309   7.124 -16.452
  166    HB3  ASN  21           2HB      ASN  21  -4.794   7.963 -16.025
  167   HD21  ASN  21          2HD2      ASN  21  -1.432   8.115 -15.746
  168   HD22  ASN  21          1HD2      ASN  21  -1.356   9.193 -14.365
  169    H    LEU  22           H        LEU  22  -3.821   5.816 -12.387
  170    HA   LEU  22           HA       LEU  22  -1.396   4.125 -12.924
  171    HB2  LEU  22           1HB      LEU  22  -2.167   5.580 -10.385
  172    HB3  LEU  22           2HB      LEU  22  -0.671   4.735 -10.696
  173    HG   LEU  22           HG       LEU  22  -1.568   7.343 -11.979
  174   HD11  LEU  22          1HD1      LEU  22  -0.817   7.399  -9.581
  175   HD12  LEU  22          2HD1      LEU  22   0.733   6.714 -10.076
  176   HD13  LEU  22          3HD1      LEU  22   0.243   8.316 -10.674
  177   HD21  LEU  22          3HD2      LEU  22   0.689   7.432 -13.005
  178   HD22  LEU  22          1HD2      LEU  22   1.012   5.778 -12.457
  179   HD23  LEU  22          2HD2      LEU  22  -0.266   6.091 -13.648
  180    H    MET  23           H        MET  23  -4.644   3.762 -12.032
  181    HA   MET  23           HA       MET  23  -4.653   2.120  -9.823
  182    HB2  MET  23           1HB      MET  23  -6.576   3.075 -11.195
  183    HB3  MET  23           2HB      MET  23  -6.439   1.668 -12.225
  184    HG2  MET  23           1HG      MET  23  -8.200   1.392 -10.524
  185    HG3  MET  23           2HG      MET  23  -6.935   0.185 -10.324
  186    HE1  MET  23           3HE      MET  23  -7.764   3.835  -7.656
  187    HE2  MET  23           1HE      MET  23  -6.593   4.045  -8.982
  188    HE3  MET  23           2HE      MET  23  -8.272   3.584  -9.334
  189    H    ARG  24           H        ARG  24  -4.010   0.983 -13.165
  190    HA   ARG  24           HA       ARG  24  -3.666  -1.773 -12.659
  191    HB2  ARG  24           1HB      ARG  24  -2.077  -0.027 -14.602
  192    HB3  ARG  24           2HB      ARG  24  -2.235  -1.786 -14.647
  193    HG2  ARG  24           1HG      ARG  24  -4.699  -1.522 -15.012
  194    HG3  ARG  24           2HG      ARG  24  -4.459   0.235 -15.070
  195    HD2  ARG  24           1HD      ARG  24  -4.579  -0.520 -17.315
  196    HD3  ARG  24           2HD      ARG  24  -2.893  -0.075 -16.993
  197    HE   ARG  24           HE       ARG  24  -3.340  -2.878 -16.477
  198   HH11  ARG  24          1HH1      ARG  24  -3.083  -0.692 -19.251
  199   HH12  ARG  24          2HH1      ARG  24  -2.523  -1.950 -20.310
  200   HH21  ARG  24          1HH2      ARG  24  -2.491  -4.442 -17.889
  201   HH22  ARG  24          2HH2      ARG  24  -2.232  -4.036 -19.555
  202    H    ASN  25           H        ASN  25  -1.195   0.842 -12.489
  203    HA   ASN  25           HA       ASN  25   1.009  -0.761 -11.641
  204    HB2  ASN  25           1HB      ASN  25   0.478   2.177 -10.988
  205    HB3  ASN  25           2HB      ASN  25   1.997   1.327 -10.856
  206   HD21  ASN  25          2HD2      ASN  25   3.239   2.493 -12.301
  207   HD22  ASN  25          1HD2      ASN  25   2.850   2.609 -14.010
  208    H    TRP  26           H        TRP  26  -1.419   1.125  -9.773
  209    HA   TRP  26           HA       TRP  26  -0.346   0.584  -7.205
  210    HB2  TRP  26           1HB      TRP  26  -3.050   1.504  -8.221
  211    HB3  TRP  26           2HB      TRP  26  -2.771   1.203  -6.517
  212    HD1  TRP  26           HD       TRP  26  -2.804   4.006  -8.723
  213    HE1  TRP  26           1HE      TRP  26  -1.673   6.042  -7.625
  214    HE3  TRP  26           3HE      TRP  26  -0.165   1.567  -5.083
  215    HZ2  TRP  26           2HZ      TRP  26   0.183   6.520  -5.458
  216    HZ3  TRP  26           3HZ      TRP  26   1.229   2.828  -3.482
  217    HH2  TRP  26           HH       TRP  26   1.402   5.303  -3.640
  218    H    VAL  27           H        VAL  27  -3.116  -1.092  -8.866
  219    HA   VAL  27           HA       VAL  27  -3.401  -2.919  -6.667
  220    HB   VAL  27           HB       VAL  27  -4.798  -4.319  -7.939
  221   HG11  VAL  27          1HG1      VAL  27  -5.601  -2.045  -7.201
  222   HG12  VAL  27          2HG1      VAL  27  -5.408  -1.503  -8.879
  223   HG13  VAL  27          3HG1      VAL  27  -6.526  -2.819  -8.493
  224   HG21  VAL  27          3HG2      VAL  27  -5.253  -3.995 -10.361
  225   HG22  VAL  27          1HG2      VAL  27  -3.860  -2.897 -10.452
  226   HG23  VAL  27          2HG2      VAL  27  -3.629  -4.607 -10.020
  227    H    CYS  28           H        CYS  28  -1.324  -3.108  -9.569
  228    HA   CYS  28           HA       CYS  28  -0.485  -5.825  -9.090
  229    HB2  CYS  28           1HB      CYS  28  -0.393  -4.451 -11.202
  230    HB3  CYS  28           2HB      CYS  28   1.038  -3.649 -10.564
  231    H    LEU  29           H        LEU  29   0.995  -2.681  -8.212
  232    HA   LEU  29           HA       LEU  29   3.206  -3.560  -6.687
  233    HB2  LEU  29           1HB      LEU  29   2.740  -1.279  -7.405
  234    HB3  LEU  29           2HB      LEU  29   1.321  -1.169  -6.400
  235    HG   LEU  29           HG       LEU  29   4.140  -1.467  -5.290
  236   HD11  LEU  29          1HD1      LEU  29   3.903   0.601  -6.614
  237   HD12  LEU  29          2HD1      LEU  29   2.410   1.014  -5.745
  238   HD13  LEU  29          3HD1      LEU  29   3.965   0.988  -4.898
  239   HD21  LEU  29          3HD2      LEU  29   3.040  -0.412  -3.235
  240   HD22  LEU  29          1HD2      LEU  29   1.471  -0.717  -3.994
  241   HD23  LEU  29          2HD2      LEU  29   2.547  -2.065  -3.549
  242    H    VAL  30           H        VAL  30  -0.126  -2.865  -5.529
  243    HA   VAL  30           HA       VAL  30   0.280  -3.776  -2.876
  244    HB   VAL  30           HB       VAL  30  -2.194  -3.485  -4.594
  245   HG11  VAL  30          1HG1      VAL  30  -2.817  -5.222  -3.006
  246   HG12  VAL  30          2HG1      VAL  30  -2.117  -4.287  -1.668
  247   HG13  VAL  30          3HG1      VAL  30  -3.559  -3.700  -2.532
  248   HG21  VAL  30          3HG2      VAL  30  -2.599  -1.534  -3.160
  249   HG22  VAL  30          1HG2      VAL  30  -1.192  -1.941  -2.154
  250   HG23  VAL  30          2HG2      VAL  30  -0.967  -1.422  -3.830
  251    H    GLU  31           H        GLU  31  -0.874  -5.656  -5.731
  252    HA   GLU  31           HA       GLU  31  -1.316  -8.097  -4.329
  253    HB2  GLU  31           1HB      GLU  31  -0.683  -7.414  -7.221
  254    HB3  GLU  31           2HB      GLU  31  -0.835  -9.097  -6.700
  255    HG2  GLU  31           1HG      GLU  31  -3.079  -8.813  -5.979
  256    HG3  GLU  31           2HG      GLU  31  -3.014  -7.057  -6.143
  257    H    HIS  32           H        HIS  32   1.713  -6.801  -5.720
  258    HA   HIS  32           HA       HIS  32   3.178  -9.238  -4.989
  259    HB2  HIS  32           1HB      HIS  32   3.855  -6.610  -6.260
  260    HB3  HIS  32           2HB      HIS  32   5.111  -7.789  -5.827
  261    HD2  HIS  32           2HD      HIS  32   3.255  -6.838  -8.746
  262    HE1  HIS  32           1HE      HIS  32   3.657 -11.039  -9.280
  263    HE2  HIS  32           2HE      HIS  32   3.038  -8.849 -10.431
  264    H    GLU  33           H        GLU  33   2.529  -6.183  -3.393
  265    HA   GLU  33           HA       GLU  33   4.643  -6.588  -1.382
  266    HB2  GLU  33           1HB      GLU  33   2.408  -4.557  -1.667
  267    HB3  GLU  33           2HB      GLU  33   3.426  -4.637  -0.241
  268    HG2  GLU  33           1HG      GLU  33   4.417  -4.150  -3.074
  269    HG3  GLU  33           2HG      GLU  33   4.174  -2.925  -1.841
  270    H    SER  34           H        SER  34   0.988  -6.527  -1.144
  271    HA   SER  34           HA       SER  34   1.274  -8.059   1.419
  272    HB2  SER  34           1HB      SER  34  -0.809  -7.019   2.064
  273    HB3  SER  34           2HB      SER  34   0.341  -5.768   1.585
  274    HG   SER  34           HG       SER  34  -0.973  -5.197   0.056
  275    H    SER  35           H        SER  35   0.247  -8.510  -1.768
  276    HA   SER  35           HA       SER  35  -1.109  -9.948  -2.859
  277    HB2  SER  35           1HB      SER  35  -1.758 -11.498  -0.370
  278    HB3  SER  35           2HB      SER  35  -1.713 -12.042  -2.043
  279    HG   SER  35           HG       SER  35   0.608 -11.805  -1.961
  280    H    ARG  36           H        ARG  36  -2.179  -7.534  -1.367
  281    HA   ARG  36           HA       ARG  36  -4.117  -6.422  -1.263
  282    HB2  ARG  36           1HB      ARG  36  -5.760  -8.782  -2.202
  283    HB3  ARG  36           2HB      ARG  36  -6.105  -7.061  -2.325
  284    HG2  ARG  36           1HG      ARG  36  -4.123  -6.900  -3.933
  285    HG3  ARG  36           2HG      ARG  36  -4.078  -8.653  -3.940
  286    HD2  ARG  36           1HD      ARG  36  -6.568  -7.064  -4.677
  287    HD3  ARG  36           2HD      ARG  36  -5.386  -7.632  -5.848
  288    HE   ARG  36           HE       ARG  36  -6.980  -9.392  -4.019
  289   HH11  ARG  36          1HH1      ARG  36  -5.490  -9.030  -7.261
  290   HH12  ARG  36          2HH1      ARG  36  -5.938 -10.657  -7.682
  291   HH21  ARG  36          1HH2      ARG  36  -7.435 -11.441  -4.658
  292   HH22  ARG  36          2HH2      ARG  36  -7.055 -11.977  -6.266
  293    H    ASP  37           H        ASP  37  -3.067  -8.000   0.932
  294    HA   ASP  37           HA       ASP  37  -5.536  -8.587   2.552
  295    HB2  ASP  37           1HB      ASP  37  -4.346 -10.653   2.075
  296    HB3  ASP  37           2HB      ASP  37  -2.831  -9.940   2.612
  297    H    THR  38           H        THR  38  -5.870  -7.166   4.124
  298    HA   THR  38           HA       THR  38  -3.847  -5.216   4.839
  299    HB   THR  38           HB       THR  38  -5.346  -4.426   6.599
  300    HG1  THR  38           1HG      THR  38  -7.294  -5.302   6.882
  301   HG21  THR  38          3HG2      THR  38  -7.213  -3.685   5.198
  302   HG22  THR  38          1HG2      THR  38  -5.672  -3.554   4.342
  303   HG23  THR  38          2HG2      THR  38  -6.797  -4.894   3.967
  304    H    SER  39           H        SER  39  -4.669  -8.378   6.185
  305    HA   SER  39           HA       SER  39  -3.393  -7.901   8.762
  306    HB2  SER  39           1HB      SER  39  -4.310 -10.442   7.369
  307    HB3  SER  39           2HB      SER  39  -3.719 -10.346   9.026
  308    HG   SER  39           HG       SER  39  -6.001 -10.294   8.937
  309    H    LYS  40           H        LYS  40  -1.990  -8.328   5.707
  310    HA   LYS  40           HA       LYS  40   0.008 -10.279   6.347
  311    HB2  LYS  40           1HB      LYS  40  -0.907  -9.613   4.045
  312    HB3  LYS  40           2HB      LYS  40   0.073  -8.167   4.155
  313    HG2  LYS  40           1HG      LYS  40   1.272  -9.765   2.834
  314    HG3  LYS  40           2HG      LYS  40   2.136  -9.590   4.333
  315    HD2  LYS  40           1HD      LYS  40   2.046 -11.931   3.576
  316    HD3  LYS  40           2HD      LYS  40   1.270 -11.742   5.134
  317    HE2  LYS  40           1HE      LYS  40  -0.038 -13.252   3.782
  318    HE3  LYS  40           2HE      LYS  40  -0.970 -11.783   4.057
  319    HZ1  LYS  40           3HZ      LYS  40  -1.061 -12.566   1.746
  320    HZ2  LYS  40           1HZ      LYS  40  -0.431 -11.063   1.810
  321    HZ3  LYS  40           2HZ      LYS  40   0.545 -12.357   1.559
  322    H    THR  41           H        THR  41   2.181 -10.080   6.791
  323    HA   THR  41           HA       THR  41   3.456  -7.470   7.173
  324    HB   THR  41           HB       THR  41   4.440  -8.105   9.333
  325    HG1  THR  41           1HG      THR  41   2.441 -10.115   9.438
  326   HG21  THR  41          3HG2      THR  41   2.684  -7.569  10.820
  327   HG22  THR  41          1HG2      THR  41   2.486  -6.612   9.355
  328   HG23  THR  41          2HG2      THR  41   1.430  -8.018   9.627
  329    H    ASN  42           H        ASN  42   5.688  -7.534   7.398
  330    HA   ASN  42           HA       ASN  42   7.126 -10.034   6.829
  331    HB2  ASN  42           1HB      ASN  42   6.978  -7.640   4.946
  332    HB3  ASN  42           2HB      ASN  42   8.381  -8.691   4.966
  333   HD21  ASN  42          2HD2      ASN  42   5.077  -8.392   3.889
  334   HD22  ASN  42          1HD2      ASN  42   5.052  -9.922   3.017
  335    H    THR  43           H        THR  43   9.189 -10.043   7.696
  336    HA   THR  43           HA       THR  43   9.937  -7.742   9.419
  337    HB   THR  43           HB       THR  43  11.214 -10.497   9.290
  338    HG1  THR  43           1HG      THR  43   9.766 -11.107  10.812
  339   HG21  THR  43          3HG2      THR  43  11.725  -9.983  11.690
  340   HG22  THR  43          1HG2      THR  43  12.510  -8.853  10.586
  341   HG23  THR  43          2HG2      THR  43  11.050  -8.354  11.469
  342    H    ASN  44           H        ASN  44  11.856  -6.665   9.297
  343    HA   ASN  44           HA       ASN  44  13.417  -6.842   6.771
  344    HB2  ASN  44           1HB      ASN  44  13.316  -4.715   8.951
  345    HB3  ASN  44           2HB      ASN  44  14.295  -4.626   7.494
  346   HD21  ASN  44          2HD2      ASN  44  10.969  -4.627   8.698
  347   HD22  ASN  44          1HD2      ASN  44  10.257  -3.886   7.247
  348    H    ARG  45           H        ARG  45  15.719  -6.737   6.831
  349    HA   ARG  45           HA       ARG  45  17.033  -8.514   8.631
  350    HB2  ARG  45           1HB      ARG  45  18.280  -6.392   6.835
  351    HB3  ARG  45           2HB      ARG  45  19.111  -7.779   7.555
  352    HG2  ARG  45           1HG      ARG  45  17.533  -9.302   6.314
  353    HG3  ARG  45           2HG      ARG  45  16.873  -7.881   5.489
  354    HD2  ARG  45           1HD      ARG  45  19.770  -8.828   5.367
  355    HD3  ARG  45           2HD      ARG  45  18.552  -9.091   4.129
  356    HE   ARG  45           HE       ARG  45  18.480  -6.753   3.631
  357   HH11  ARG  45          1HH1      ARG  45  21.195  -7.550   5.770
  358   HH12  ARG  45          2HH1      ARG  45  22.032  -6.075   5.390
  359   HH21  ARG  45          1HH2      ARG  45  19.619  -4.889   3.191
  360   HH22  ARG  45          2HH2      ARG  45  21.156  -4.598   3.947
  361    H    ASN  46           H        ASN  46  16.517  -5.083   8.845
  362    HA   ASN  46           HA       ASN  46  18.463  -4.604  10.972
  363    HB2  ASN  46           1HB      ASN  46  16.244  -2.832   9.877
  364    HB3  ASN  46           2HB      ASN  46  17.580  -2.312  10.905
  365   HD21  ASN  46          2HD2      ASN  46  19.839  -2.513   9.993
  366   HD22  ASN  46          1HD2      ASN  46  20.014  -2.379   8.253
  367    H    GLY  47           H        GLY  47  15.471  -6.125  11.124
  368    HA2  GLY  47           1HA      GLY  47  14.474  -6.942  13.063
  369    HA3  GLY  47           2HA      GLY  47  15.249  -5.672  14.037
  370    H    SER  48           H        SER  48  13.833  -4.057  11.490
  371    HA   SER  48           HA       SER  48  11.355  -3.385  12.963
  372    HB2  SER  48           1HB      SER  48  11.079  -1.700  11.221
  373    HB3  SER  48           2HB      SER  48  12.655  -1.590  11.997
  374    HG   SER  48           HG       SER  48  13.211  -1.529   9.906
  375    H    LYS  49           H        LYS  49   9.302  -3.274  11.580
  376    HA   LYS  49           HA       LYS  49   9.065  -5.598   9.719
  377    HB2  LYS  49           1HB      LYS  49   8.416  -5.980  12.278
  378    HB3  LYS  49           2HB      LYS  49   6.955  -5.137  11.793
  379    HG2  LYS  49           1HG      LYS  49   6.613  -6.883  10.000
  380    HG3  LYS  49           2HG      LYS  49   8.029  -7.731  10.659
  381    HD2  LYS  49           1HD      LYS  49   6.792  -7.712  12.925
  382    HD3  LYS  49           2HD      LYS  49   5.389  -7.112  12.040
  383    HE2  LYS  49           1HE      LYS  49   5.027  -9.430  12.204
  384    HE3  LYS  49           2HE      LYS  49   5.576  -9.188  10.546
  385    HZ1  LYS  49           3HZ      LYS  49   6.683 -11.065  11.594
  386    HZ2  LYS  49           1HZ      LYS  49   7.797  -9.921  11.248
  387    HZ3  LYS  49           2HZ      LYS  49   7.280 -10.125  12.790
  388    H    ASP  50           H        ASP  50   7.230  -5.612   8.426
  389    HA   ASP  50           HA       ASP  50   6.264  -2.926   7.584
  390    HB2  ASP  50           1HB      ASP  50   6.452  -5.563   6.079
  391    HB3  ASP  50           2HB      ASP  50   5.978  -4.008   5.419
  392    H    TYR  51           H        TYR  51   4.076  -2.564   7.377
  393    HA   TYR  51           HA       TYR  51   2.153  -4.740   8.135
  394    HB2  TYR  51           1HB      TYR  51   2.368  -1.905   9.206
  395    HB3  TYR  51           2HB      TYR  51   1.107  -3.051   9.623
  396    HD1  TYR  51           2HD      TYR  51   4.684  -2.177  10.042
  397    HD2  TYR  51           1HD      TYR  51   1.488  -4.793  11.263
  398    HE1  TYR  51           2HE      TYR  51   5.999  -2.851  12.036
  399    HE2  TYR  51           1HE      TYR  51   2.795  -5.474  13.262
  400    HH   TYR  51           HH       TYR  51   4.740  -5.185  14.462
  401    H    GLY  52           H        GLY  52   0.032  -4.579   7.436
  402    HA2  GLY  52           1HA      GLY  52  -1.859  -3.713   6.405
  403    HA3  GLY  52           2HA      GLY  52  -1.024  -2.162   6.218
  404    H    LEU  53           H        LEU  53  -2.491  -2.483   4.235
  405    HA   LEU  53           HA       LEU  53  -1.827  -4.428   2.339
  406    HB2  LEU  53           1HB      LEU  53  -3.868  -2.554   2.673
  407    HB3  LEU  53           2HB      LEU  53  -2.975  -1.811   1.359
  408    HG   LEU  53           HG       LEU  53  -3.088  -4.283   0.319
  409   HD11  LEU  53          1HD1      LEU  53  -4.100  -5.255   2.335
  410   HD12  LEU  53          2HD1      LEU  53  -5.506  -4.179   2.154
  411   HD13  LEU  53          3HD1      LEU  53  -5.189  -5.401   0.935
  412   HD21  LEU  53          3HD2      LEU  53  -5.177  -3.750  -0.779
  413   HD22  LEU  53          1HD2      LEU  53  -5.488  -2.444   0.403
  414   HD23  LEU  53          2HD2      LEU  53  -4.116  -2.317  -0.720
  415    H    PHE  54           H        PHE  54  -0.185  -1.450   2.792
  416    HA   PHE  54           HA       PHE  54   1.285  -1.778   0.210
  417    HB2  PHE  54           1HB      PHE  54   1.073   0.610   2.074
  418    HB3  PHE  54           2HB      PHE  54   1.970   0.566   0.569
  419    HD1  PHE  54           2HD      PHE  54  -1.446   0.423   2.024
  420    HD2  PHE  54           1HD      PHE  54   0.887   0.881  -1.567
  421    HE1  PHE  54           2HE      PHE  54  -3.481   1.077   0.804
  422    HE2  PHE  54           1HE      PHE  54  -1.154   1.591  -2.785
  423    HZ   PHE  54           HZ       PHE  54  -3.349   1.670  -1.614
  424    H    GLN  55           H        GLN  55   1.593  -3.032   3.156
  425    HA   GLN  55           HA       GLN  55   3.236  -3.674   4.553
  426    HB2  GLN  55           1HB      GLN  55   4.692  -3.790   1.881
  427    HB3  GLN  55           2HB      GLN  55   5.342  -4.490   3.357
  428    HG2  GLN  55           1HG      GLN  55   2.726  -5.296   2.032
  429    HG3  GLN  55           2HG      GLN  55   4.254  -6.178   2.005
  430   HE21  GLN  55          2HE2      GLN  55   1.366  -5.486   3.953
  431   HE22  GLN  55          1HE2      GLN  55   1.848  -6.483   5.296
  432    H    ILE  56           H        ILE  56   2.954  -1.365   5.289
  433    HA   ILE  56           HA       ILE  56   5.121   0.517   4.707
  434    HB   ILE  56           HB       ILE  56   2.817   0.834   6.684
  435   HG12  ILE  56          1HG1      ILE  56   2.966   1.424   3.680
  436   HG13  ILE  56          2HG1      ILE  56   1.863   0.265   4.454
  437   HG21  ILE  56          1HG2      ILE  56   4.723   2.412   6.839
  438   HG22  ILE  56          2HG2      ILE  56   4.441   2.894   5.151
  439   HG23  ILE  56          3HG2      ILE  56   3.211   3.195   6.407
  440   HD11  ILE  56          3HD1      ILE  56   0.530   2.104   3.896
  441   HD12  ILE  56          1HD1      ILE  56   0.827   2.299   5.641
  442   HD13  ILE  56          2HD1      ILE  56   1.746   3.259   4.448
  443    H    ASN  57           H        ASN  57   6.863   0.914   5.954
  444    HA   ASN  57           HA       ASN  57   7.377  -1.003   8.089
  445    HB2  ASN  57           1HB      ASN  57   8.866  -0.633   6.161
  446    HB3  ASN  57           2HB      ASN  57   9.165   1.016   6.732
  447   HD21  ASN  57          2HD2      ASN  57   9.062  -1.887   8.894
  448   HD22  ASN  57          1HD2      ASN  57  10.791  -1.829   9.209
  449    H    ASP  58           H        ASP  58   7.592  -0.623  10.147
  450    HA   ASP  58           HA       ASP  58   6.618   1.706  11.404
  451    HB2  ASP  58           1HB      ASP  58   7.015   0.676  13.447
  452    HB3  ASP  58           2HB      ASP  58   6.631  -0.625  12.329
  453    H    ARG  59           H        ARG  59   9.657   1.346  10.130
  454    HA   ARG  59           HA       ARG  59  11.247   2.911  12.003
  455    HB2  ARG  59           1HB      ARG  59  12.002   0.947  10.726
  456    HB3  ARG  59           2HB      ARG  59  11.684   1.815   9.218
  457    HG2  ARG  59           1HG      ARG  59  13.518   3.289   9.539
  458    HG3  ARG  59           2HG      ARG  59  13.735   2.787  11.224
  459    HD2  ARG  59           1HD      ARG  59  15.388   1.836   9.542
  460    HD3  ARG  59           2HD      ARG  59  14.591   0.667  10.616
  461    HE   ARG  59           HE       ARG  59  12.972   0.647   8.392
  462   HH11  ARG  59          1HH1      ARG  59  16.458   0.157   8.673
  463   HH12  ARG  59          2HH1      ARG  59  16.458  -1.114   7.482
  464   HH21  ARG  59          1HH2      ARG  59  13.016  -0.913   6.901
  465   HH22  ARG  59          2HH2      ARG  59  14.521  -1.642   6.394
  466    H    TYR  60           H        TYR  60   9.176   3.698   9.337
  467    HA   TYR  60           HA       TYR  60  10.464   6.401   9.001
  468    HB2  TYR  60           1HB      TYR  60   9.458   4.521   6.840
  469    HB3  TYR  60           2HB      TYR  60  10.083   6.135   6.574
  470    HD1  TYR  60           2HD      TYR  60  12.563   6.509   7.689
  471    HD2  TYR  60           1HD      TYR  60  10.904   2.740   6.400
  472    HE1  TYR  60           2HE      TYR  60  14.858   5.591   7.405
  473    HE2  TYR  60           1HE      TYR  60  13.189   1.839   6.077
  474    HH   TYR  60           HH       TYR  60  15.451   2.254   6.223
  475    H    TRP  61           H        TRP  61   7.437   4.591   8.241
  476    HA   TRP  61           HA       TRP  61   6.075   7.228   7.865
  477    HB2  TRP  61           1HB      TRP  61   5.326   4.498   6.852
  478    HB3  TRP  61           2HB      TRP  61   4.660   6.009   6.308
  479    HD1  TRP  61           HD       TRP  61   7.029   3.473   5.339
  480    HE1  TRP  61           1HE      TRP  61   8.649   4.254   3.511
  481    HE3  TRP  61           3HE      TRP  61   6.174   8.517   5.603
  482    HZ2  TRP  61           2HZ      TRP  61   9.424   6.743   2.272
  483    HZ3  TRP  61           3HZ      TRP  61   7.311  10.060   4.042
  484    HH2  TRP  61           HH       TRP  61   8.943   9.193   2.375
  485    H    CYS  62           H        CYS  62   5.304   3.942   9.145
  486    HA   CYS  62           HA       CYS  62   3.217   5.121  10.905
  487    HB2  CYS  62           1HB      CYS  62   2.611   2.679  11.224
  488    HB3  CYS  62           2HB      CYS  62   2.325   3.375   9.649
  489    H    SER  63           H        SER  63   3.025   4.211  13.105
  490    HA   SER  63           HA       SER  63   5.669   3.843  14.475
  491    HB2  SER  63           1HB      SER  63   4.309   5.853  15.073
  492    HB3  SER  63           2HB      SER  63   3.004   4.780  15.595
  493    HG   SER  63           HG       SER  63   4.193   5.243  17.397
  494    H    LYS  64           H        LYS  64   6.070   1.972  15.530
  495    HA   LYS  64           HA       LYS  64   4.069  -0.182  15.588
  496    HB2  LYS  64           1HB      LYS  64   5.932  -1.518  16.549
  497    HB3  LYS  64           2HB      LYS  64   6.284  -0.832  14.977
  498    HG2  LYS  64           1HG      LYS  64   7.759   0.811  15.876
  499    HG3  LYS  64           2HG      LYS  64   7.142   0.611  17.524
  500    HD2  LYS  64           1HD      LYS  64   8.130  -1.542  17.765
  501    HD3  LYS  64           2HD      LYS  64   8.592  -1.607  16.040
  502    HE2  LYS  64           1HE      LYS  64  10.041   0.376  16.360
  503    HE3  LYS  64           2HE      LYS  64   9.604   0.431  18.075
  504    HZ1  LYS  64           3HZ      LYS  64  11.722  -0.704  17.737
  505    HZ2  LYS  64           1HZ      LYS  64  10.633  -1.768  18.329
  506    HZ3  LYS  64           2HZ      LYS  64  11.038  -1.805  16.743
  507    H    GLY  65           H        GLY  65   4.869   2.285  17.789
  508    HA2  GLY  65           1HA      GLY  65   4.569   0.751  20.272
  509    HA3  GLY  65           2HA      GLY  65   4.754   2.502  20.105
  510    H    ALA  66           H        ALA  66   3.099   2.352  21.889
  511    HA   ALA  66           HA       ALA  66   0.402   1.463  21.271
  512    HB1  ALA  66           1HB      ALA  66   1.462   1.263  23.509
  513    HB2  ALA  66           2HB      ALA  66   1.514   3.038  23.641
  514    HB3  ALA  66           3HB      ALA  66  -0.045   2.191  23.580
  515    H    SER  67           H        SER  67   1.767   4.057  19.937
  516    HA   SER  67           HA       SER  67  -0.721   5.605  19.727
  517    HB2  SER  67           1HB      SER  67   0.399   6.415  21.811
  518    HB3  SER  67           2HB      SER  67   1.819   6.852  20.846
  519    HG   SER  67           HG       SER  67   0.377   8.633  21.193
  520    HA   PRO  68           HA       PRO  68   1.178   6.240  15.656
  521    HB2  PRO  68           1HB      PRO  68  -0.293   8.376  14.746
  522    HB3  PRO  68           2HB      PRO  68  -0.952   6.713  14.854
  523    HG2  PRO  68           1HG      PRO  68  -1.268   8.964  16.855
  524    HG3  PRO  68           2HG      PRO  68  -2.540   7.906  16.161
  525    HD2  PRO  68           1HD      PRO  68  -1.450   7.388  18.574
  526    HD3  PRO  68           2HD      PRO  68  -1.828   6.053  17.448
  527    H    GLY  69           H        GLY  69   2.769   7.693  14.721
  528    HA2  GLY  69           1HA      GLY  69   3.453  10.257  15.644
  529    HA3  GLY  69           2HA      GLY  69   4.172   9.153  16.802
  530    H    LYS  70           H        LYS  70   3.876   8.972  13.246
  531    HA   LYS  70           HA       LYS  70   6.729   9.608  12.883
  532    HB2  LYS  70           1HB      LYS  70   5.486   6.997  11.940
  533    HB3  LYS  70           2HB      LYS  70   6.844   7.727  11.096
  534    HG2  LYS  70           1HG      LYS  70   7.761   7.849  13.685
  535    HG3  LYS  70           2HG      LYS  70   6.770   6.384  13.727
  536    HD2  LYS  70           1HD      LYS  70   8.126   5.404  11.920
  537    HD3  LYS  70           2HD      LYS  70   8.924   6.951  11.636
  538    HE2  LYS  70           1HE      LYS  70  10.463   5.574  12.842
  539    HE3  LYS  70           2HE      LYS  70   9.944   6.899  13.884
  540    HZ1  LYS  70           3HZ      LYS  70   9.959   4.762  15.046
  541    HZ2  LYS  70           1HZ      LYS  70   8.432   5.345  14.991
  542    HZ3  LYS  70           2HZ      LYS  70   8.890   4.128  13.978
  543    H    ASP  71           H        ASP  71   6.881   9.390  10.141
  544    HA   ASP  71           HA       ASP  71   5.991  11.963   9.548
  545    HB2  ASP  71           1HB      ASP  71   7.879  10.681   8.493
  546    HB3  ASP  71           2HB      ASP  71   6.689   9.836   7.501
  547    H    CYS  72           H        CYS  72   4.156   9.000   8.998
  548    HA   CYS  72           HA       CYS  72   2.042  10.550   7.550
  549    HB2  CYS  72           1HB      CYS  72   2.488   7.576   7.793
  550    HB3  CYS  72           2HB      CYS  72   1.163   8.354   6.931
  551    H    ASN  73           H        ASN  73   2.686  10.051  10.691
  552    HA   ASN  73           HA       ASN  73   1.484  10.198  12.584
  553    HB2  ASN  73           1HB      ASN  73  -0.581  11.518  10.764
  554    HB3  ASN  73           2HB      ASN  73  -0.357  11.799  12.489
  555   HD21  ASN  73          2HD2      ASN  73   1.687  12.888  13.193
  556   HD22  ASN  73          1HD2      ASN  73   2.503  13.932  12.045
  557    H    VAL  74           H        VAL  74   1.275   7.680  11.686
  558    HA   VAL  74           HA       VAL  74  -1.421   6.750  12.481
  559    HB   VAL  74           HB       VAL  74  -1.451   7.112  10.035
  560   HG11  VAL  74          1HG1      VAL  74   0.945   6.654   9.531
  561   HG12  VAL  74          2HG1      VAL  74   0.667   4.930   9.856
  562   HG13  VAL  74          3HG1      VAL  74  -0.159   5.723   8.505
  563   HG21  VAL  74          3HG2      VAL  74  -2.422   5.004   9.407
  564   HG22  VAL  74          1HG2      VAL  74  -1.597   4.162  10.731
  565   HG23  VAL  74          2HG2      VAL  74  -2.858   5.364  11.086
  566    H    LYS  75           H        LYS  75  -1.503   4.638  13.232
  567    HA   LYS  75           HA       LYS  75   1.067   3.592  14.285
  568    HB2  LYS  75           1HB      LYS  75  -0.985   4.317  15.640
  569    HB3  LYS  75           2HB      LYS  75  -1.768   2.848  15.032
  570    HG2  LYS  75           1HG      LYS  75  -0.018   1.482  16.134
  571    HG3  LYS  75           2HG      LYS  75   0.800   2.969  16.648
  572    HD2  LYS  75           1HD      LYS  75  -0.449   2.074  18.499
  573    HD3  LYS  75           2HD      LYS  75  -1.162   3.602  18.032
  574    HE2  LYS  75           1HE      LYS  75  -2.304   1.007  16.945
  575    HE3  LYS  75           2HE      LYS  75  -2.575   1.419  18.636
  576    HZ1  LYS  75           3HZ      LYS  75  -4.382   2.216  17.271
  577    HZ2  LYS  75           1HZ      LYS  75  -3.615   3.497  17.929
  578    HZ3  LYS  75           2HZ      LYS  75  -3.418   3.118  16.338
  579    H    CYS  76           H        CYS  76   1.880   1.614  13.678
  580    HA   CYS  76           HA       CYS  76   1.262   0.244  11.337
  581    HB2  CYS  76           1HB      CYS  76   2.424  -0.900  13.911
  582    HB3  CYS  76           2HB      CYS  76   2.575  -1.605  12.308
  583    H    SER  77           H        SER  77  -0.105  -0.447  14.573
  584    HA   SER  77           HA       SER  77  -1.515  -2.838  13.793
  585    HB2  SER  77           1HB      SER  77  -0.848  -2.160  16.129
  586    HB3  SER  77           2HB      SER  77  -2.132  -0.945  16.084
  587    HG   SER  77           HG       SER  77  -2.358  -3.787  16.062
  588    H    ASP  78           H        ASP  78  -2.427   0.613  13.488
  589    HA   ASP  78           HA       ASP  78  -5.256   0.045  13.004
  590    HB2  ASP  78           1HB      ASP  78  -3.576   2.504  12.382
  591    HB3  ASP  78           2HB      ASP  78  -5.317   2.383  12.179
  592    H    LEU  79           H        LEU  79  -2.359  -0.199  11.126
  593    HA   LEU  79           HA       LEU  79  -3.632   0.006   8.506
  594    HB2  LEU  79           1HB      LEU  79  -0.995  -1.356   9.133
  595    HB3  LEU  79           2HB      LEU  79  -1.539  -0.652   7.619
  596    HG   LEU  79           HG       LEU  79  -0.706   0.873  10.112
  597   HD11  LEU  79          1HD1      LEU  79   1.153  -0.065   8.840
  598   HD12  LEU  79          2HD1      LEU  79   0.495   0.587   7.327
  599   HD13  LEU  79          3HD1      LEU  79   1.094   1.685   8.587
  600   HD21  LEU  79          3HD2      LEU  79  -0.961   2.912   8.685
  601   HD22  LEU  79          1HD2      LEU  79  -1.750   1.906   7.457
  602   HD23  LEU  79          2HD2      LEU  79  -2.510   2.134   9.048
  603    H    LEU  80           H        LEU  80  -3.592  -2.407  10.917
  604    HA   LEU  80           HA       LEU  80  -3.976  -4.667   9.051
  605    HB2  LEU  80           1HB      LEU  80  -3.865  -4.674  12.079
  606    HB3  LEU  80           2HB      LEU  80  -3.781  -6.071  11.014
  607    HG   LEU  80           HG       LEU  80  -1.686  -3.886  11.267
  608   HD11  LEU  80          1HD1      LEU  80  -1.842  -5.408  13.213
  609   HD12  LEU  80          2HD1      LEU  80  -1.664  -6.809  12.133
  610   HD13  LEU  80          3HD1      LEU  80  -0.331  -5.654  12.326
  611   HD21  LEU  80          3HD2      LEU  80  -0.247  -5.375   9.868
  612   HD22  LEU  80          1HD2      LEU  80  -1.657  -6.401   9.552
  613   HD23  LEU  80          2HD2      LEU  80  -1.622  -4.711   8.987
  614    H    THR  81           H        THR  81  -6.006  -2.365   9.893
  615    HA   THR  81           HA       THR  81  -8.280  -3.831  10.998
  616    HB   THR  81           HB       THR  81  -9.498  -1.693  10.660
  617    HG1  THR  81           1HG      THR  81  -7.088  -0.437  10.018
  618   HG21  THR  81          3HG2      THR  81  -8.201  -0.358  12.287
  619   HG22  THR  81          1HG2      THR  81  -8.354  -2.057  12.767
  620   HG23  THR  81          2HG2      THR  81  -6.823  -1.466  12.098
  621    H    ASP  82           H        ASP  82 -10.470  -3.299   9.811
  622    HA   ASP  82           HA       ASP  82 -10.327  -4.928   7.363
  623    HB2  ASP  82           1HB      ASP  82 -12.735  -4.013   8.974
  624    HB3  ASP  82           2HB      ASP  82 -12.716  -5.260   7.729
  625    H    ASP  83           H        ASP  83  -9.927  -1.815   7.625
  626    HA   ASP  83           HA       ASP  83 -11.041  -1.298   4.932
  627    HB2  ASP  83           1HB      ASP  83 -12.495  -0.106   6.588
  628    HB3  ASP  83           2HB      ASP  83 -11.083   0.800   7.134
  629    H    ILE  84           H        ILE  84  -9.472  -0.762   3.623
  630    HA   ILE  84           HA       ILE  84  -6.735  -0.805   4.473
  631    HB   ILE  84           HB       ILE  84  -6.195  -0.726   2.162
  632   HG12  ILE  84          1HG1      ILE  84  -9.014   0.290   1.576
  633   HG13  ILE  84          2HG1      ILE  84  -7.555   1.276   1.597
  634   HG21  ILE  84          1HG2      ILE  84  -7.505  -2.768   2.973
  635   HG22  ILE  84          2HG2      ILE  84  -8.937  -2.076   2.216
  636   HG23  ILE  84          3HG2      ILE  84  -7.548  -2.524   1.228
  637   HD11  ILE  84          3HD1      ILE  84  -8.136   0.786  -0.662
  638   HD12  ILE  84          1HD1      ILE  84  -6.585   0.008  -0.240
  639   HD13  ILE  84          2HD1      ILE  84  -8.082  -0.961  -0.363
  640    H    THR  85           H        THR  85  -8.900   1.810   4.396
  641    HA   THR  85           HA       THR  85  -7.536   3.935   3.282
  642    HB   THR  85           HB       THR  85  -9.861   3.924   3.930
  643    HG1  THR  85           1HG      THR  85  -9.885   6.086   4.547
  644   HG21  THR  85          3HG2      THR  85 -10.619   4.434   6.148
  645   HG22  THR  85          1HG2      THR  85  -9.593   2.998   6.265
  646   HG23  THR  85          2HG2      THR  85  -8.956   4.583   6.759
  647    H    LYS  86           H        LYS  86  -7.011   2.765   6.608
  648    HA   LYS  86           HA       LYS  86  -5.349   4.952   7.438
  649    HB2  LYS  86           1HB      LYS  86  -5.250   2.029   8.305
  650    HB3  LYS  86           2HB      LYS  86  -4.557   3.383   9.184
  651    HG2  LYS  86           1HG      LYS  86  -7.516   2.862   8.686
  652    HG3  LYS  86           2HG      LYS  86  -6.658   2.631  10.195
  653    HD2  LYS  86           1HD      LYS  86  -7.169   5.312   8.834
  654    HD3  LYS  86           2HD      LYS  86  -8.023   4.655  10.232
  655    HE2  LYS  86           1HE      LYS  86  -5.872   4.615  11.517
  656    HE3  LYS  86           2HE      LYS  86  -5.054   5.366  10.139
  657    HZ1  LYS  86           3HZ      LYS  86  -5.728   7.019  11.784
  658    HZ2  LYS  86           1HZ      LYS  86  -6.543   7.283  10.392
  659    HZ3  LYS  86           2HZ      LYS  86  -7.295   6.583  11.664
  660    H    ALA  87           H        ALA  87  -4.628   2.119   5.483
  661    HA   ALA  87           HA       ALA  87  -1.719   2.724   5.392
  662    HB1  ALA  87           1HB      ALA  87  -2.664   0.347   5.566
  663    HB2  ALA  87           2HB      ALA  87  -3.302   0.563   3.916
  664    HB3  ALA  87           3HB      ALA  87  -1.550   0.630   4.223
  665    H    ALA  88           H        ALA  88  -4.609   2.792   3.294
  666    HA   ALA  88           HA       ALA  88  -3.243   3.490   0.918
  667    HB1  ALA  88           1HB      ALA  88  -5.570   2.490   1.239
  668    HB2  ALA  88           2HB      ALA  88  -6.139   4.144   1.594
  669    HB3  ALA  88           3HB      ALA  88  -5.425   3.743   0.019
  670    H    LYS  89           H        LYS  89  -4.770   5.693   3.336
  671    HA   LYS  89           HA       LYS  89  -4.088   8.099   1.853
  672    HB2  LYS  89           1HB      LYS  89  -4.794   7.552   4.756
  673    HB3  LYS  89           2HB      LYS  89  -4.512   9.176   4.104
  674    HG2  LYS  89           1HG      LYS  89  -6.326   8.890   2.471
  675    HG3  LYS  89           2HG      LYS  89  -6.643   7.249   3.062
  676    HD2  LYS  89           1HD      LYS  89  -7.220   8.109   5.279
  677    HD3  LYS  89           2HD      LYS  89  -6.864   9.768   4.781
  678    HE2  LYS  89           1HE      LYS  89  -8.981   7.989   3.483
  679    HE3  LYS  89           2HE      LYS  89  -9.321   9.111   4.805
  680    HZ1  LYS  89           3HZ      LYS  89  -9.817  10.127   2.681
  681    HZ2  LYS  89           1HZ      LYS  89  -8.578  10.932   3.374
  682    HZ3  LYS  89           2HZ      LYS  89  -8.296   9.900   2.134
  683    H    CYS  90           H        CYS  90  -2.346   6.161   4.242
  684    HA   CYS  90           HA       CYS  90  -0.067   7.957   4.540
  685    HB2  CYS  90           1HB      CYS  90  -0.557   6.328   6.218
  686    HB3  CYS  90           2HB      CYS  90  -0.541   5.000   5.056
  687    H    ALA  91           H        ALA  91  -0.802   5.213   2.345
  688    HA   ALA  91           HA       ALA  91   1.611   5.224   0.889
  689    HB1  ALA  91           1HB      ALA  91  -0.115   3.451   0.844
  690    HB2  ALA  91           2HB      ALA  91  -1.196   4.527  -0.055
  691    HB3  ALA  91           3HB      ALA  91   0.325   3.994  -0.790
  692    H    LYS  92           H        LYS  92  -1.347   7.305   0.288
  693    HA   LYS  92           HA       LYS  92  -0.238   8.578  -2.001
  694    HB2  LYS  92           1HB      LYS  92  -1.940   9.980   0.082
  695    HB3  LYS  92           2HB      LYS  92  -1.756  10.390  -1.617
  696    HG2  LYS  92           1HG      LYS  92  -3.289   8.129  -0.362
  697    HG3  LYS  92           2HG      LYS  92  -3.890   9.429  -1.338
  698    HD2  LYS  92           1HD      LYS  92  -2.384   6.956  -2.219
  699    HD3  LYS  92           2HD      LYS  92  -4.032   7.410  -2.589
  700    HE2  LYS  92           1HE      LYS  92  -1.524   8.769  -3.683
  701    HE3  LYS  92           2HE      LYS  92  -2.558   7.631  -4.540
  702    HZ1  LYS  92           3HZ      LYS  92  -3.152   9.794  -5.206
  703    HZ2  LYS  92           1HZ      LYS  92  -4.393   9.271  -4.289
  704    HZ3  LYS  92           2HZ      LYS  92  -3.327  10.353  -3.669
  705    H    LYS  93           H        LYS  93   0.203   9.401   1.464
  706    HA   LYS  93           HA       LYS  93   1.852  11.705   0.950
  707    HB2  LYS  93           1HB      LYS  93   0.530  11.095   3.074
  708    HB3  LYS  93           2HB      LYS  93   1.897  10.051   3.496
  709    HG2  LYS  93           1HG      LYS  93   3.414  12.061   3.348
  710    HG3  LYS  93           2HG      LYS  93   2.009  13.054   2.924
  711    HD2  LYS  93           1HD      LYS  93   0.987  12.401   5.152
  712    HD3  LYS  93           2HD      LYS  93   2.530  11.598   5.543
  713    HE2  LYS  93           1HE      LYS  93   3.734  13.738   5.222
  714    HE3  LYS  93           2HE      LYS  93   2.217  14.544   4.799
  715    HZ1  LYS  93           3HZ      LYS  93   2.782  14.933   7.110
  716    HZ2  LYS  93           1HZ      LYS  93   1.420  14.028   7.063
  717    HZ3  LYS  93           2HZ      LYS  93   2.863  13.333   7.429
  718    H    ILE  94           H        ILE  94   2.639   8.290   1.025
  719    HA   ILE  94           HA       ILE  94   5.552   8.746   0.895
  720    HB   ILE  94           HB       ILE  94   3.882   6.289   0.226
  721   HG12  ILE  94          1HG1      ILE  94   5.667   6.823   2.627
  722   HG13  ILE  94          2HG1      ILE  94   3.938   7.077   2.676
  723   HG21  ILE  94          1HG2      ILE  94   5.978   6.275  -1.036
  724   HG22  ILE  94          2HG2      ILE  94   6.893   6.749   0.405
  725   HG23  ILE  94          3HG2      ILE  94   6.135   5.137   0.298
  726   HD11  ILE  94          3HD1      ILE  94   4.380   4.945   3.657
  727   HD12  ILE  94          1HD1      ILE  94   3.568   4.666   2.109
  728   HD13  ILE  94          2HD1      ILE  94   5.323   4.406   2.261
  729    H    TYR  95           H        TYR  95   2.994   7.998  -1.533
  730    HA   TYR  95           HA       TYR  95   4.633   8.050  -3.804
  731    HB2  TYR  95           1HB      TYR  95   2.651   7.167  -4.274
  732    HB3  TYR  95           2HB      TYR  95   1.742   8.230  -3.211
  733    HD1  TYR  95           2HD      TYR  95   1.269  10.648  -3.983
  734    HD2  TYR  95           1HD      TYR  95   2.469   7.448  -6.612
  735    HE1  TYR  95           2HE      TYR  95   0.373  11.910  -5.930
  736    HE2  TYR  95           1HE      TYR  95   1.604   8.716  -8.559
  737    HH   TYR  95           HH       TYR  95   0.585  10.651  -9.287
  738    H    LYS  96           H        LYS  96   3.356  10.790  -2.045
  739    HA   LYS  96           HA       LYS  96   4.006  12.946  -3.775
  740    HB2  LYS  96           1HB      LYS  96   3.935  12.481  -0.783
  741    HB3  LYS  96           2HB      LYS  96   4.415  14.051  -1.389
  742    HG2  LYS  96           1HG      LYS  96   1.751  12.712  -2.038
  743    HG3  LYS  96           2HG      LYS  96   1.992  13.886  -0.751
  744    HD2  LYS  96           1HD      LYS  96   2.330  14.414  -3.738
  745    HD3  LYS  96           2HD      LYS  96   0.964  14.889  -2.729
  746    HE2  LYS  96           1HE      LYS  96   2.494  16.285  -1.325
  747    HE3  LYS  96           2HE      LYS  96   3.839  15.865  -2.394
  748    HZ1  LYS  96           3HZ      LYS  96   2.861  17.992  -3.003
  749    HZ2  LYS  96           1HZ      LYS  96   2.633  16.928  -4.221
  750    HZ3  LYS  96           2HZ      LYS  96   1.391  17.319  -3.229
  751    H    ARG  97           H        ARG  97   6.209  10.851  -2.051
  752    HA   ARG  97           HA       ARG  97   8.551  12.582  -2.784
  753    HB2  ARG  97           1HB      ARG  97   8.322  10.422  -0.647
  754    HB3  ARG  97           2HB      ARG  97   9.761  11.366  -1.008
  755    HG2  ARG  97           1HG      ARG  97   7.137  12.418   0.136
  756    HG3  ARG  97           2HG      ARG  97   8.644  12.184   1.005
  757    HD2  ARG  97           1HD      ARG  97   8.158  14.196  -1.234
  758    HD3  ARG  97           2HD      ARG  97   8.263  14.563   0.478
  759    HE   ARG  97           HE       ARG  97  10.457  14.082  -1.377
  760   HH11  ARG  97          1HH1      ARG  97   9.662  14.070   2.074
  761   HH12  ARG  97          2HH1      ARG  97  11.322  14.284   2.545
  762   HH21  ARG  97          1HH2      ARG  97  12.569  14.341  -0.698
  763   HH22  ARG  97          2HH2      ARG  97  12.940  14.431   0.996
  764    H    HIS  98           H        HIS  98   7.266   9.276  -2.779
  765    HA   HIS  98           HA       HIS  98   9.088   8.468  -5.004
  766    HB2  HIS  98           1HB      HIS  98   8.664   6.992  -2.373
  767    HB3  HIS  98           2HB      HIS  98   9.541   6.360  -3.764
  768    HD2  HIS  98           2HD      HIS  98  10.029   8.330  -0.633
  769    HE1  HIS  98           1HE      HIS  98  13.606   8.934  -2.862
  770    HE2  HIS  98           2HE      HIS  98  12.501   9.233  -0.585
  771    H    ARG  99           H        ARG  99   7.232   8.600  -6.382
  772    HA   ARG  99           HA       ARG  99   4.686   7.805  -5.937
  773    HB2  ARG  99           1HB      ARG  99   4.277   7.725  -8.228
  774    HB3  ARG  99           2HB      ARG  99   5.227   9.121  -7.719
  775    HG2  ARG  99           1HG      ARG  99   7.290   8.030  -8.639
  776    HG3  ARG  99           2HG      ARG  99   6.284   6.650  -9.180
  777    HD2  ARG  99           1HD      ARG  99   4.819   8.212 -10.378
  778    HD3  ARG  99           2HD      ARG  99   5.850   9.563  -9.883
  779    HE   ARG  99           HE       ARG  99   7.545   7.717 -11.169
  780   HH11  ARG  99          1HH1      ARG  99   4.798   9.707 -12.179
  781   HH12  ARG  99          2HH1      ARG  99   5.337   9.773 -13.830
  782   HH21  ARG  99          1HH2      ARG  99   8.183   7.846 -13.314
  783   HH22  ARG  99          2HH2      ARG  99   7.229   8.738 -14.459
  784    H    PHE 100           H        PHE 100   7.186   5.619  -7.192
  785    HA   PHE 100           HA       PHE 100   5.621   3.287  -6.211
  786    HB2  PHE 100           1HB      PHE 100   7.007   3.371  -8.908
  787    HB3  PHE 100           2HB      PHE 100   6.154   2.012  -8.187
  788    HD1  PHE 100           1HD      PHE 100   3.604   2.711  -7.390
  789    HD2  PHE 100           2HD      PHE 100   5.842   4.418 -10.658
  790    HE1  PHE 100           1HE      PHE 100   1.489   3.376  -8.485
  791    HE2  PHE 100           2HE      PHE 100   3.721   5.095 -11.747
  792    HZ   PHE 100           HZ       PHE 100   1.547   4.560 -10.667
  793    H    ASP 101           H        ASP 101   8.684   4.890  -6.509
  794    HA   ASP 101           HA       ASP 101  10.411   2.638  -6.420
  795    HB2  ASP 101           1HB      ASP 101  11.012   4.888  -7.236
  796    HB3  ASP 101           2HB      ASP 101  10.896   5.523  -5.595
  797    H    ALA 102           H        ALA 102   8.535   3.968  -3.856
  798    HA   ALA 102           HA       ALA 102  10.204   2.993  -1.665
  799    HB1  ALA 102           1HB      ALA 102   8.650   4.856  -1.335
  800    HB2  ALA 102           2HB      ALA 102   7.273   3.824  -1.782
  801    HB3  ALA 102           3HB      ALA 102   8.194   3.491  -0.304
  802    H    TRP 103           H        TRP 103   8.309   1.377  -3.992
  803    HA   TRP 103           HA       TRP 103   8.042  -1.058  -2.260
  804    HB2  TRP 103           1HB      TRP 103   6.131   0.028  -4.343
  805    HB3  TRP 103           2HB      TRP 103   5.945  -1.483  -3.468
  806    HD1  TRP 103           HD       TRP 103   5.499  -1.290  -0.791
  807    HE1  TRP 103           1HE      TRP 103   4.157   0.413   0.524
  808    HE3  TRP 103           3HE      TRP 103   5.717   2.584  -4.105
  809    HZ2  TRP 103           2HZ      TRP 103   3.105   3.112   0.101
  810    HZ3  TRP 103           3HZ      TRP 103   4.545   4.706  -3.643
  811    HH2  TRP 103           HH       TRP 103   3.169   4.961  -1.582
  812    H    TYR 104           H        TYR 104   9.430  -2.489  -2.904
  813    HA   TYR 104           HA       TYR 104  10.546  -2.963  -5.480
  814    HB2  TYR 104           1HB      TYR 104  10.022  -5.242  -3.609
  815    HB3  TYR 104           2HB      TYR 104  11.457  -4.869  -4.538
  816    HD1  TYR 104           1HD      TYR 104  12.992  -3.005  -3.715
  817    HD2  TYR 104           2HD      TYR 104   9.592  -4.409  -1.484
  818    HE1  TYR 104           1HE      TYR 104  13.936  -1.950  -1.637
  819    HE2  TYR 104           2HE      TYR 104  10.520  -3.361   0.611
  820    HH   TYR 104           HH       TYR 104  12.245  -2.141   1.526
  821    H    GLY 105           H        GLY 105   7.549  -4.003  -3.970
  822    HA2  GLY 105           1HA      GLY 105   6.720  -6.062  -5.636
  823    HA3  GLY 105           2HA      GLY 105   5.657  -4.938  -4.767
  824    H    TRP 106           H        TRP 106   6.927  -2.647  -6.406
  825    HA   TRP 106           HA       TRP 106   5.510  -3.045  -8.993
  826    HB2  TRP 106           1HB      TRP 106   4.951  -1.044  -7.753
  827    HB3  TRP 106           2HB      TRP 106   6.634  -0.545  -7.702
  828    HD1  TRP 106           HD       TRP 106   3.676  -0.893 -10.108
  829    HE1  TRP 106           1HE      TRP 106   4.156   0.392 -12.286
  830    HE3  TRP 106           3HE      TRP 106   8.457   0.588  -9.118
  831    HZ2  TRP 106           2HZ      TRP 106   6.350   1.906 -13.431
  832    HZ3  TRP 106           3HZ      TRP 106   9.743   1.915 -10.757
  833    HH2  TRP 106           HH       TRP 106   8.698   2.591 -12.923
  834    H    LYS 107           H        LYS 107   8.699  -1.659  -7.926
  835    HA   LYS 107           HA       LYS 107   9.678  -1.679 -10.580
  836    HB2  LYS 107           1HB      LYS 107  11.943  -1.219  -9.504
  837    HB3  LYS 107           2HB      LYS 107  10.639  -0.077  -9.216
  838    HG2  LYS 107           1HG      LYS 107  10.294  -0.936  -6.986
  839    HG3  LYS 107           2HG      LYS 107  11.514  -2.215  -7.259
  840    HD2  LYS 107           1HD      LYS 107  13.262  -0.521  -7.519
  841    HD3  LYS 107           2HD      LYS 107  12.057   0.780  -7.406
  842    HE2  LYS 107           1HE      LYS 107  11.493   0.069  -5.101
  843    HE3  LYS 107           2HE      LYS 107  12.710  -1.217  -5.189
  844    HZ1  LYS 107           3HZ      LYS 107  13.501   0.859  -4.104
  845    HZ2  LYS 107           1HZ      LYS 107  14.414   0.472  -5.415
  846    HZ3  LYS 107           2HZ      LYS 107  13.303   1.673  -5.509
  847    H    ASN 108           H        ASN 108   9.761  -4.413  -8.430
  848    HA   ASN 108           HA       ASN 108  11.755  -5.772 -10.173
  849    HB2  ASN 108           1HB      ASN 108  10.540  -6.555  -7.503
  850    HB3  ASN 108           2HB      ASN 108  11.637  -7.561  -8.430
  851   HD21  ASN 108          2HD2      ASN 108  13.849  -7.250  -8.210
  852   HD22  ASN 108          1HD2      ASN 108  14.542  -5.899  -7.331
  853    H    HIS 109           H        HIS 109   8.408  -5.415 -10.245
  854    HA   HIS 109           HA       HIS 109   8.025  -8.092 -11.573
  855    HB2  HIS 109           1HB      HIS 109   6.163  -6.731  -9.596
  856    HB3  HIS 109           2HB      HIS 109   5.863  -8.246 -10.442
  857    HD2  HIS 109           2HD      HIS 109   7.803  -6.798  -7.496
  858    HE1  HIS 109           1HE      HIS 109   8.443 -11.003  -7.393
  859    HE2  HIS 109           2HE      HIS 109   8.771  -8.823  -6.117
  860    H    CYS 110           H        CYS 110   7.041  -4.689 -11.530
  861    HA   CYS 110           HA       CYS 110   5.007  -5.059 -13.618
  862    HB2  CYS 110           1HB      CYS 110   6.052  -2.609 -12.150
  863    HB3  CYS 110           2HB      CYS 110   4.689  -2.619 -13.254
  864    H    GLN 111           H        GLN 111   8.222  -5.095 -13.990
  865    HA   GLN 111           HA       GLN 111   8.664  -3.089 -16.044
  866    HB2  GLN 111           1HB      GLN 111  10.250  -5.606 -15.370
  867    HB3  GLN 111           2HB      GLN 111  10.820  -4.264 -16.352
  868    HG2  GLN 111           1HG      GLN 111  10.144  -4.103 -13.377
  869    HG3  GLN 111           2HG      GLN 111  11.749  -4.278 -14.055
  870   HE21  GLN 111          2HE2      GLN 111  11.595  -2.245 -12.415
  871   HE22  GLN 111          1HE2      GLN 111  11.479  -0.707 -13.280
  872    H    GLY 112           H        GLY 112   7.456  -6.403 -16.125
  873    HA2  GLY 112           1HA      GLY 112   7.874  -6.730 -19.028
  874    HA3  GLY 112           2HA      GLY 112   7.082  -7.864 -17.909
  875    H    SER 113           H        SER 113   5.023  -6.566 -16.846
  876    HA   SER 113           HA       SER 113   3.409  -4.982 -18.612
  877    HB2  SER 113           1HB      SER 113   3.384  -7.270 -19.776
  878    HB3  SER 113           2HB      SER 113   2.498  -7.869 -18.367
  879    HG   SER 113           HG       SER 113   1.125  -7.142 -20.107
  880    H    LEU 114           H        LEU 114   1.075  -4.943 -17.782
  881    HA   LEU 114           HA       LEU 114   0.925  -5.271 -14.818
  882    HB2  LEU 114           1HB      LEU 114  -0.053  -3.054 -16.666
  883    HB3  LEU 114           2HB      LEU 114  -0.593  -3.210 -15.006
  884    HG   LEU 114           HG       LEU 114   2.341  -2.872 -15.756
  885   HD11  LEU 114          1HD1      LEU 114   1.014  -0.941 -16.502
  886   HD12  LEU 114          2HD1      LEU 114   0.297  -0.794 -14.879
  887   HD13  LEU 114          3HD1      LEU 114   2.038  -0.513 -15.117
  888   HD21  LEU 114          3HD2      LEU 114   2.475  -2.125 -13.340
  889   HD22  LEU 114          1HD2      LEU 114   0.802  -2.662 -13.121
  890   HD23  LEU 114          2HD2      LEU 114   2.069  -3.839 -13.528
  891    HA   PRO 115           HA       PRO 115  -2.921  -7.452 -15.519
  892    HB2  PRO 115           1HB      PRO 115  -4.345  -6.869 -13.262
  893    HB3  PRO 115           2HB      PRO 115  -2.897  -7.929 -13.247
  894    HG2  PRO 115           1HG      PRO 115  -3.050  -4.967 -12.591
  895    HG3  PRO 115           2HG      PRO 115  -2.279  -6.273 -11.631
  896    HD2  PRO 115           1HD      PRO 115  -0.843  -4.708 -13.324
  897    HD3  PRO 115           2HD      PRO 115  -0.481  -6.453 -13.163
  898    H    ASP 116           H        ASP 116  -5.139  -7.107 -16.033
  899    HA   ASP 116           HA       ASP 116  -5.781  -4.431 -17.037
  900    HB2  ASP 116           1HB      ASP 116  -6.167  -6.435 -18.402
  901    HB3  ASP 116           2HB      ASP 116  -7.270  -7.074 -17.178
  902    H    ILE 117           H        ILE 117  -7.646  -3.331 -16.621
  903    HA   ILE 117           HA       ILE 117  -9.158  -3.800 -14.086
  904    HB   ILE 117           HB       ILE 117  -8.997  -1.404 -13.545
  905   HG12  ILE 117          1HG1      ILE 117  -6.908  -1.224 -15.771
  906   HG13  ILE 117          2HG1      ILE 117  -8.559  -0.622 -15.902
  907   HG21  ILE 117          1HG2      ILE 117  -7.453  -3.067 -12.514
  908   HG22  ILE 117          2HG2      ILE 117  -6.231  -2.670 -13.730
  909   HG23  ILE 117          3HG2      ILE 117  -6.776  -1.438 -12.574
  910   HD11  ILE 117          3HD1      ILE 117  -7.099   1.203 -15.402
  911   HD12  ILE 117          1HD1      ILE 117  -8.156   0.912 -14.001
  912   HD13  ILE 117          2HD1      ILE 117  -6.456   0.366 -13.978
  913    H    SER 118           H        SER 118  -9.377  -3.229 -17.434
  914    HA   SER 118           HA       SER 118 -11.528  -1.344 -17.481
  915    HB2  SER 118           1HB      SER 118 -10.659  -3.416 -19.521
  916    HB3  SER 118           2HB      SER 118 -11.817  -2.110 -19.826
  917    HG   SER 118           HG       SER 118  -9.637  -1.573 -20.454
  918    H    SER 119           H        SER 119 -11.676  -4.577 -16.435
  919    HA   SER 119           HA       SER 119 -14.554  -4.967 -16.980
  920    HB2  SER 119           1HB      SER 119 -14.137  -7.033 -15.618
  921    HB3  SER 119           2HB      SER 119 -13.155  -6.904 -17.087
  922    HG   SER 119           HG       SER 119 -11.913  -7.564 -15.250
  923    H    CYS 120           H        CYS 120 -12.730  -3.231 -14.703
  924    HA   CYS 120           HA       CYS 120 -14.493  -3.745 -12.388
  925    HB2  CYS 120           1HB      CYS 120 -11.975  -2.081 -12.607
  926    HB3  CYS 120           2HB      CYS 120 -12.767  -2.608 -11.126
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  -9.318  -7.823  10.080
    2    H2   GLY   1           2H       GLY   1  -8.111  -8.912  10.336
    3    H3   GLY   1           3H       GLY   1  -7.846  -7.313  10.624
    4    HA2  GLY   1           1HA      GLY   1  -8.149  -6.790   8.308
    5    HA3  GLY   1           2HA      GLY   1  -6.796  -7.899   8.570
    6    H    LYS   2           H        LYS   2  -7.781  -7.786   6.122
    7    HA   LYS   2           HA       LYS   2  -9.163 -10.320   5.571
    8    HB2  LYS   2           1HB      LYS   2 -11.023  -9.260   4.403
    9    HB3  LYS   2           2HB      LYS   2 -11.007  -8.742   6.088
   10    HG2  LYS   2           1HG      LYS   2  -9.970  -6.594   5.461
   11    HG3  LYS   2           2HG      LYS   2  -9.888  -7.090   3.772
   12    HD2  LYS   2           1HD      LYS   2 -12.492  -6.818   5.320
   13    HD3  LYS   2           2HD      LYS   2 -11.764  -5.528   4.350
   14    HE2  LYS   2           1HE      LYS   2 -11.830  -6.978   2.335
   15    HE3  LYS   2           2HE      LYS   2 -12.606  -8.258   3.279
   16    HZ1  LYS   2           3HZ      LYS   2 -14.238  -6.940   2.069
   17    HZ2  LYS   2           1HZ      LYS   2 -14.469  -6.745   3.674
   18    HZ3  LYS   2           2HZ      LYS   2 -13.752  -5.561   2.801
   19    H    THR   3           H        THR   3  -9.398 -10.718   3.232
   20    HA   THR   3           HA       THR   3  -7.250  -9.417   1.620
   21    HB   THR   3           HB       THR   3  -8.374 -12.181   1.127
   22    HG1  THR   3           1HG      THR   3  -6.538 -12.901   2.224
   23   HG21  THR   3          3HG2      THR   3  -6.221 -12.418  -0.115
   24   HG22  THR   3          1HG2      THR   3  -7.189 -11.091  -0.775
   25   HG23  THR   3          2HG2      THR   3  -5.811 -10.734   0.287
   26    H    PHE   4           H        PHE   4  -7.807  -8.301  -0.068
   27    HA   PHE   4           HA       PHE   4 -10.618  -8.184  -0.998
   28    HB2  PHE   4           1HB      PHE   4  -8.156  -6.472  -1.508
   29    HB3  PHE   4           2HB      PHE   4  -9.664  -6.212  -2.337
   30    HD1  PHE   4           1HD      PHE   4  -8.167  -6.312   1.118
   31    HD2  PHE   4           2HD      PHE   4 -11.355  -4.829  -1.390
   32    HE1  PHE   4           1HE      PHE   4  -9.008  -4.923   2.988
   33    HE2  PHE   4           2HE      PHE   4 -12.195  -3.465   0.489
   34    HZ   PHE   4           HZ       PHE   4 -11.034  -3.515   2.690
   35    H    THR   5           H        THR   5 -11.090  -8.203  -3.236
   36    HA   THR   5           HA       THR   5  -9.351  -9.914  -4.977
   37    HB   THR   5           HB       THR   5 -11.665 -10.717  -4.646
   38    HG1  THR   5           1HG      THR   5 -11.882 -11.094  -6.850
   39   HG21  THR   5          3HG2      THR   5 -13.536  -9.631  -5.727
   40   HG22  THR   5          1HG2      THR   5 -12.848  -8.477  -4.577
   41   HG23  THR   5          2HG2      THR   5 -12.516  -8.310  -6.319
   42    H    ARG   6           H        ARG   6  -9.210  -9.124  -7.305
   43    HA   ARG   6           HA       ARG   6  -7.989  -6.576  -7.260
   44    HB2  ARG   6           1HB      ARG   6  -7.497  -8.374  -8.889
   45    HB3  ARG   6           2HB      ARG   6  -9.015  -8.032  -9.728
   46    HG2  ARG   6           1HG      ARG   6  -8.260  -5.727 -10.211
   47    HG3  ARG   6           2HG      ARG   6  -6.783  -5.983  -9.273
   48    HD2  ARG   6           1HD      ARG   6  -7.567  -7.499 -11.792
   49    HD3  ARG   6           2HD      ARG   6  -6.441  -6.137 -11.721
   50    HE   ARG   6           HE       ARG   6  -5.185  -7.661  -9.985
   51   HH11  ARG   6          1HH1      ARG   6  -6.831  -9.040 -12.816
   52   HH12  ARG   6          2HH1      ARG   6  -5.700 -10.355 -12.915
   53   HH21  ARG   6          1HH2      ARG   6  -3.703  -9.203 -10.295
   54   HH22  ARG   6          2HH2      ARG   6  -3.954 -10.480 -11.471
   55    H    CYS   7           H        CYS   7 -11.222  -7.397  -8.639
   56    HA   CYS   7           HA       CYS   7 -11.925  -4.724  -9.376
   57    HB2  CYS   7           1HB      CYS   7 -13.057  -6.795 -10.148
   58    HB3  CYS   7           2HB      CYS   7 -13.745  -7.014  -8.538
   59    H    GLY   8           H        GLY   8 -12.318  -6.409  -6.261
   60    HA2  GLY   8           1HA      GLY   8 -13.791  -4.340  -4.903
   61    HA3  GLY   8           2HA      GLY   8 -12.816  -5.622  -4.142
   62    H    LEU   9           H        LEU   9 -10.257  -5.074  -5.026
   63    HA   LEU   9           HA       LEU   9  -9.396  -2.830  -3.507
   64    HB2  LEU   9           1HB      LEU   9  -8.083  -4.896  -3.985
   65    HB3  LEU   9           2HB      LEU   9  -7.993  -4.447  -5.689
   66    HG   LEU   9           HG       LEU   9  -6.742  -2.400  -5.091
   67   HD11  LEU   9          1HD1      LEU   9  -7.564  -1.925  -2.859
   68   HD12  LEU   9          2HD1      LEU   9  -6.972  -3.487  -2.260
   69   HD13  LEU   9          3HD1      LEU   9  -5.822  -2.209  -2.745
   70   HD21  LEU   9          3HD2      LEU   9  -4.646  -3.473  -4.560
   71   HD22  LEU   9          1HD2      LEU   9  -5.486  -4.874  -3.856
   72   HD23  LEU   9          2HD2      LEU   9  -5.573  -4.558  -5.606
   73    H    VAL  10           H        VAL  10  -9.636  -3.178  -7.092
   74    HA   VAL  10           HA       VAL  10  -8.855  -0.580  -7.851
   75    HB   VAL  10           HB       VAL  10 -10.982  -2.422  -9.012
   76   HG11  VAL  10          1HG1      VAL  10 -11.713  -0.268  -9.753
   77   HG12  VAL  10          2HG1      VAL  10 -10.062   0.265 -10.087
   78   HG13  VAL  10          3HG1      VAL  10 -10.822  -0.975 -11.098
   79   HG21  VAL  10          3HG2      VAL  10  -9.355  -2.799 -10.788
   80   HG22  VAL  10          1HG2      VAL  10  -8.230  -1.639 -10.055
   81   HG23  VAL  10          2HG2      VAL  10  -8.611  -3.159  -9.234
   82    H    HIS  11           H        HIS  11 -12.104  -1.660  -6.772
   83    HA   HIS  11           HA       HIS  11 -13.357   0.944  -6.930
   84    HB2  HIS  11           1HB      HIS  11 -14.078  -1.596  -5.421
   85    HB3  HIS  11           2HB      HIS  11 -15.083  -0.162  -5.455
   86    HD2  HIS  11           2HD      HIS  11 -13.673  -0.552  -8.886
   87    HE1  HIS  11           1HE      HIS  11 -17.377  -2.639  -8.986
   88    HE2  HIS  11           2HE      HIS  11 -15.498  -1.683 -10.411
   89    H    GLU  12           H        GLU  12 -11.833  -0.806  -4.218
   90    HA   GLU  12           HA       GLU  12 -12.550   1.027  -2.176
   91    HB2  GLU  12           1HB      GLU  12 -11.518  -1.422  -2.154
   92    HB3  GLU  12           2HB      GLU  12  -9.989  -0.579  -2.085
   93    HG2  GLU  12           1HG      GLU  12 -10.823  -1.266   0.114
   94    HG3  GLU  12           2HG      GLU  12 -10.670   0.497  -0.005
   95    H    LEU  13           H        LEU  13  -9.643   0.859  -4.229
   96    HA   LEU  13           HA       LEU  13  -8.368   3.214  -3.121
   97    HB2  LEU  13           1HB      LEU  13  -8.058   1.791  -5.778
   98    HB3  LEU  13           2HB      LEU  13  -6.911   2.965  -5.130
   99    HG   LEU  13           HG       LEU  13  -7.582   0.310  -3.835
  100   HD11  LEU  13          1HD1      LEU  13  -6.453   0.016  -5.974
  101   HD12  LEU  13          2HD1      LEU  13  -5.198   1.189  -5.500
  102   HD13  LEU  13          3HD1      LEU  13  -5.334  -0.369  -4.648
  103   HD21  LEU  13          3HD2      LEU  13  -5.629   0.674  -2.441
  104   HD22  LEU  13          1HD2      LEU  13  -5.374   2.279  -3.185
  105   HD23  LEU  13          2HD2      LEU  13  -6.810   1.963  -2.184
  106    H    ARG  14           H        ARG  14 -10.503   2.719  -5.934
  107    HA   ARG  14           HA       ARG  14 -10.485   5.397  -6.931
  108    HB2  ARG  14           1HB      ARG  14 -12.586   3.228  -6.956
  109    HB3  ARG  14           2HB      ARG  14 -12.931   4.830  -7.604
  110    HG2  ARG  14           1HG      ARG  14 -11.267   4.667  -9.297
  111    HG3  ARG  14           2HG      ARG  14 -10.553   3.216  -8.568
  112    HD2  ARG  14           1HD      ARG  14 -12.542   1.923  -8.986
  113    HD3  ARG  14           2HD      ARG  14 -13.407   3.352  -9.610
  114    HE   ARG  14           HE       ARG  14 -11.074   2.976 -11.161
  115   HH11  ARG  14          1HH1      ARG  14 -14.198   1.360 -10.614
  116   HH12  ARG  14          2HH1      ARG  14 -14.021   0.401 -12.080
  117   HH21  ARG  14          1HH2      ARG  14 -11.071   1.678 -13.130
  118   HH22  ARG  14          2HH2      ARG  14 -12.407   0.561 -13.367
  119    H    LYS  15           H        LYS  15 -12.493   3.983  -4.285
  120    HA   LYS  15           HA       LYS  15 -13.857   6.457  -3.618
  121    HB2  LYS  15           1HB      LYS  15 -13.267   3.932  -2.035
  122    HB3  LYS  15           2HB      LYS  15 -14.253   5.257  -1.421
  123    HG2  LYS  15           1HG      LYS  15 -15.879   4.984  -3.227
  124    HG3  LYS  15           2HG      LYS  15 -14.930   3.684  -3.945
  125    HD2  LYS  15           1HD      LYS  15 -16.210   3.627  -1.175
  126    HD3  LYS  15           2HD      LYS  15 -16.840   2.827  -2.625
  127    HE2  LYS  15           1HE      LYS  15 -14.767   1.458  -2.775
  128    HE3  LYS  15           2HE      LYS  15 -14.142   2.246  -1.321
  129    HZ1  LYS  15           3HZ      LYS  15 -15.088   0.146  -0.761
  130    HZ2  LYS  15           1HZ      LYS  15 -16.005   1.314  -0.082
  131    HZ3  LYS  15           2HZ      LYS  15 -16.550   0.528  -1.417
  132    H    HIS  16           H        HIS  16 -10.782   5.042  -2.549
  133    HA   HIS  16           HA       HIS  16 -10.346   7.080  -0.520
  134    HB2  HIS  16           1HB      HIS  16  -8.654   4.755  -1.509
  135    HB3  HIS  16           2HB      HIS  16  -8.239   5.789  -0.142
  136    HD2  HIS  16           2HD      HIS  16  -8.383   3.055   0.796
  137    HE1  HIS  16           1HE      HIS  16 -12.480   3.459   1.833
  138    HE2  HIS  16           2HE      HIS  16 -10.416   2.037   2.148
  139    H    GLY  17           H        GLY  17 -10.042   7.461  -3.750
  140    HA2  GLY  17           1HA      GLY  17  -9.415   9.515  -4.683
  141    HA3  GLY  17           2HA      GLY  17  -8.331   9.838  -3.312
  142    H    PHE  18           H        PHE  18  -8.048   6.766  -5.010
  143    HA   PHE  18           HA       PHE  18  -5.419   7.536  -6.106
  144    HB2  PHE  18           1HB      PHE  18  -6.933   4.930  -6.089
  145    HB3  PHE  18           2HB      PHE  18  -5.362   5.184  -6.836
  146    HD1  PHE  18           2HD      PHE  18  -6.938   5.766  -3.415
  147    HD2  PHE  18           1HD      PHE  18  -3.538   4.410  -5.687
  148    HE1  PHE  18           2HE      PHE  18  -5.760   5.263  -1.336
  149    HE2  PHE  18           1HE      PHE  18  -2.352   3.872  -3.576
  150    HZ   PHE  18           HZ       PHE  18  -3.450   4.298  -1.395
  151    H    GLU  19           H        GLU  19  -4.987   7.769  -8.310
  152    HA   GLU  19           HA       GLU  19  -7.214   8.613  -9.954
  153    HB2  GLU  19           1HB      GLU  19  -4.279   8.276 -10.660
  154    HB3  GLU  19           2HB      GLU  19  -5.492   9.109 -11.632
  155    HG2  GLU  19           1HG      GLU  19  -4.577   9.977  -8.864
  156    HG3  GLU  19           2HG      GLU  19  -4.010  10.633 -10.393
  157    H    GLU  20           H        GLU  20  -8.198   7.627 -11.655
  158    HA   GLU  20           HA       GLU  20  -8.122   4.831 -11.914
  159    HB2  GLU  20           1HB      GLU  20  -9.641   5.089 -13.769
  160    HB3  GLU  20           2HB      GLU  20 -10.069   6.179 -12.454
  161    HG2  GLU  20           1HG      GLU  20  -8.972   8.067 -13.696
  162    HG3  GLU  20           2HG      GLU  20  -8.617   6.960 -15.025
  163    H    ASN  21           H        ASN  21  -6.150   7.207 -13.661
  164    HA   ASN  21           HA       ASN  21  -5.257   5.252 -15.644
  165    HB2  ASN  21           1HB      ASN  21  -3.950   6.966 -16.558
  166    HB3  ASN  21           2HB      ASN  21  -5.489   7.702 -16.130
  167   HD21  ASN  21          2HD2      ASN  21  -2.583   8.766 -16.447
  168   HD22  ASN  21          1HD2      ASN  21  -2.347   9.679 -14.966
  169    H    LEU  22           H        LEU  22  -4.334   6.011 -12.399
  170    HA   LEU  22           HA       LEU  22  -1.692   4.627 -12.682
  171    HB2  LEU  22           1HB      LEU  22  -2.949   6.061 -10.312
  172    HB3  LEU  22           2HB      LEU  22  -1.327   5.376 -10.378
  173    HG   LEU  22           HG       LEU  22  -2.356   7.766 -11.937
  174   HD11  LEU  22          1HD1      LEU  22  -1.914   8.165  -9.544
  175   HD12  LEU  22          2HD1      LEU  22  -0.272   7.512  -9.733
  176   HD13  LEU  22          3HD1      LEU  22  -0.738   9.015 -10.561
  177   HD21  LEU  22          3HD2      LEU  22  -0.021   8.071 -12.730
  178   HD22  LEU  22          1HD2      LEU  22   0.421   6.503 -12.030
  179   HD23  LEU  22          2HD2      LEU  22  -0.742   6.594 -13.372
  180    H    MET  23           H        MET  23  -4.947   3.994 -11.774
  181    HA   MET  23           HA       MET  23  -4.832   2.267  -9.679
  182    HB2  MET  23           1HB      MET  23  -6.804   3.158 -11.076
  183    HB3  MET  23           2HB      MET  23  -6.602   1.751 -12.091
  184    HG2  MET  23           1HG      MET  23  -8.363   1.417 -10.406
  185    HG3  MET  23           2HG      MET  23  -7.047   0.269 -10.167
  186    HE1  MET  23           3HE      MET  23  -8.136   3.925  -7.620
  187    HE2  MET  23           1HE      MET  23  -6.913   4.180  -8.887
  188    HE3  MET  23           2HE      MET  23  -8.539   3.616  -9.315
  189    H    ARG  24           H        ARG  24  -4.171   1.253 -13.073
  190    HA   ARG  24           HA       ARG  24  -3.806  -1.500 -12.638
  191    HB2  ARG  24           1HB      ARG  24  -2.160   0.252 -14.533
  192    HB3  ARG  24           2HB      ARG  24  -2.365  -1.499 -14.613
  193    HG2  ARG  24           1HG      ARG  24  -4.838  -1.118 -14.984
  194    HG3  ARG  24           2HG      ARG  24  -4.485   0.621 -15.071
  195    HD2  ARG  24           1HD      ARG  24  -4.600  -0.156 -17.308
  196    HD3  ARG  24           2HD      ARG  24  -2.890   0.149 -16.953
  197    HE   ARG  24           HE       ARG  24  -3.651  -2.603 -16.417
  198   HH11  ARG  24          1HH1      ARG  24  -2.854  -0.491 -19.149
  199   HH12  ARG  24          2HH1      ARG  24  -2.376  -1.828 -20.151
  200   HH21  ARG  24          1HH2      ARG  24  -2.985  -4.260 -17.737
  201   HH22  ARG  24          2HH2      ARG  24  -2.458  -3.938 -19.361
  202    H    ASN  25           H        ASN  25  -1.341   1.113 -12.412
  203    HA   ASN  25           HA       ASN  25   0.863  -0.548 -11.637
  204    HB2  ASN  25           1HB      ASN  25   0.323   2.417 -11.120
  205    HB3  ASN  25           2HB      ASN  25   1.816   1.583 -10.729
  206   HD21  ASN  25          2HD2      ASN  25   2.954   3.092 -12.084
  207   HD22  ASN  25          1HD2      ASN  25   2.940   2.850 -13.825
  208    H    TRP  26           H        TRP  26  -1.529   1.331  -9.696
  209    HA   TRP  26           HA       TRP  26  -0.407   0.679  -7.166
  210    HB2  TRP  26           1HB      TRP  26  -3.136   1.645  -8.062
  211    HB3  TRP  26           2HB      TRP  26  -2.787   1.290  -6.377
  212    HD1  TRP  26           HD       TRP  26  -2.624   4.089  -8.720
  213    HE1  TRP  26           1HE      TRP  26  -1.266   6.029  -7.768
  214    HE3  TRP  26           3HE      TRP  26  -0.318   1.633  -4.866
  215    HZ2  TRP  26           2HZ      TRP  26   0.391   6.531  -5.418
  216    HZ3  TRP  26           3HZ      TRP  26   1.122   2.866  -3.273
  217    HH2  TRP  26           HH       TRP  26   1.462   5.315  -3.522
  218    H    VAL  27           H        VAL  27  -3.210  -0.932  -8.839
  219    HA   VAL  27           HA       VAL  27  -3.445  -2.832  -6.693
  220    HB   VAL  27           HB       VAL  27  -4.897  -4.170  -7.953
  221   HG11  VAL  27          1HG1      VAL  27  -5.639  -1.900  -7.142
  222   HG12  VAL  27          2HG1      VAL  27  -5.503  -1.333  -8.821
  223   HG13  VAL  27          3HG1      VAL  27  -6.625  -2.638  -8.407
  224   HG21  VAL  27          3HG2      VAL  27  -5.423  -3.797 -10.353
  225   HG22  VAL  27          1HG2      VAL  27  -4.025  -2.705 -10.467
  226   HG23  VAL  27          2HG2      VAL  27  -3.794  -4.425 -10.077
  227    H    CYS  28           H        CYS  28  -1.480  -2.951  -9.692
  228    HA   CYS  28           HA       CYS  28  -0.649  -5.681  -9.279
  229    HB2  CYS  28           1HB      CYS  28  -0.629  -4.264 -11.387
  230    HB3  CYS  28           2HB      CYS  28   0.871  -3.549 -10.813
  231    H    LEU  29           H        LEU  29   0.849  -2.556  -8.355
  232    HA   LEU  29           HA       LEU  29   3.125  -3.526  -6.964
  233    HB2  LEU  29           1HB      LEU  29   2.740  -1.220  -7.589
  234    HB3  LEU  29           2HB      LEU  29   1.338  -1.083  -6.546
  235    HG   LEU  29           HG       LEU  29   4.163  -1.541  -5.500
  236   HD11  LEU  29          1HD1      LEU  29   3.957   0.587  -6.809
  237   HD12  LEU  29          2HD1      LEU  29   2.583   1.061  -5.787
  238   HD13  LEU  29          3HD1      LEU  29   4.204   0.882  -5.089
  239   HD21  LEU  29          3HD2      LEU  29   3.168  -0.486  -3.411
  240   HD22  LEU  29          1HD2      LEU  29   1.566  -0.641  -4.153
  241   HD23  LEU  29          2HD2      LEU  29   2.535  -2.082  -3.765
  242    H    VAL  30           H        VAL  30  -0.147  -2.794  -5.636
  243    HA   VAL  30           HA       VAL  30   0.365  -3.814  -3.042
  244    HB   VAL  30           HB       VAL  30  -2.197  -3.488  -4.621
  245   HG11  VAL  30          1HG1      VAL  30  -2.723  -5.266  -3.043
  246   HG12  VAL  30          2HG1      VAL  30  -1.932  -4.376  -1.725
  247   HG13  VAL  30          3HG1      VAL  30  -3.429  -3.761  -2.468
  248   HG21  VAL  30          3HG2      VAL  30  -2.538  -1.582  -3.111
  249   HG22  VAL  30          1HG2      VAL  30  -1.072  -2.003  -2.198
  250   HG23  VAL  30          2HG2      VAL  30  -0.946  -1.436  -3.871
  251    H    GLU  31           H        GLU  31  -0.867  -5.582  -5.929
  252    HA   GLU  31           HA       GLU  31  -1.270  -8.054  -4.595
  253    HB2  GLU  31           1HB      GLU  31  -0.768  -7.284  -7.488
  254    HB3  GLU  31           2HB      GLU  31  -0.905  -8.984  -7.023
  255    HG2  GLU  31           1HG      GLU  31  -3.108  -8.717  -6.181
  256    HG3  GLU  31           2HG      GLU  31  -3.047  -6.956  -6.300
  257    H    HIS  32           H        HIS  32   1.715  -6.696  -5.972
  258    HA   HIS  32           HA       HIS  32   3.208  -9.181  -5.366
  259    HB2  HIS  32           1HB      HIS  32   3.805  -6.582  -6.771
  260    HB3  HIS  32           2HB      HIS  32   5.096  -7.709  -6.320
  261    HD2  HIS  32           2HD      HIS  32   2.829  -7.049  -9.150
  262    HE1  HIS  32           1HE      HIS  32   3.858 -11.151  -9.590
  263    HE2  HIS  32           2HE      HIS  32   2.793  -9.139 -10.738
  264    H    GLU  33           H        GLU  33   2.539  -6.205  -3.730
  265    HA   GLU  33           HA       GLU  33   4.765  -6.513  -1.821
  266    HB2  GLU  33           1HB      GLU  33   2.463  -4.558  -2.069
  267    HB3  GLU  33           2HB      GLU  33   3.501  -4.595  -0.658
  268    HG2  GLU  33           1HG      GLU  33   4.461  -4.128  -3.505
  269    HG3  GLU  33           2HG      GLU  33   4.215  -2.893  -2.277
  270    H    SER  34           H        SER  34   1.149  -6.408  -1.262
  271    HA   SER  34           HA       SER  34   1.580  -8.234   1.083
  272    HB2  SER  34           1HB      SER  34  -0.500  -7.338   1.927
  273    HB3  SER  34           2HB      SER  34   0.586  -6.000   1.531
  274    HG   SER  34           HG       SER  34  -0.809  -5.322   0.124
  275    H    SER  35           H        SER  35   0.327  -8.266  -2.080
  276    HA   SER  35           HA       SER  35  -1.077  -9.575  -3.262
  277    HB2  SER  35           1HB      SER  35  -1.025 -11.611  -1.034
  278    HB3  SER  35           2HB      SER  35  -1.548 -11.841  -2.706
  279    HG   SER  35           HG       SER  35   0.681 -11.164  -3.296
  280    H    ARG  36           H        ARG  36  -2.120  -7.472  -1.614
  281    HA   ARG  36           HA       ARG  36  -4.100  -6.476  -1.368
  282    HB2  ARG  36           1HB      ARG  36  -5.612  -8.915  -2.334
  283    HB3  ARG  36           2HB      ARG  36  -6.100  -7.224  -2.358
  284    HG2  ARG  36           1HG      ARG  36  -4.188  -6.818  -4.015
  285    HG3  ARG  36           2HG      ARG  36  -4.021  -8.566  -4.116
  286    HD2  ARG  36           1HD      ARG  36  -6.608  -7.066  -4.706
  287    HD3  ARG  36           2HD      ARG  36  -5.453  -7.564  -5.931
  288    HE   ARG  36           HE       ARG  36  -6.956  -9.412  -4.108
  289   HH11  ARG  36          1HH1      ARG  36  -5.540  -8.947  -7.368
  290   HH12  ARG  36          2HH1      ARG  36  -5.950 -10.578  -7.814
  291   HH21  ARG  36          1HH2      ARG  36  -7.378 -11.456  -4.782
  292   HH22  ARG  36          2HH2      ARG  36  -7.013 -11.951  -6.406
  293    H    ASP  37           H        ASP  37  -2.910  -8.016   0.749
  294    HA   ASP  37           HA       ASP  37  -5.272  -8.852   2.421
  295    HB2  ASP  37           1HB      ASP  37  -3.846 -10.731   1.731
  296    HB3  ASP  37           2HB      ASP  37  -2.439  -9.927   2.415
  297    H    THR  38           H        THR  38  -5.707  -7.413   3.990
  298    HA   THR  38           HA       THR  38  -3.745  -5.442   4.839
  299    HB   THR  38           HB       THR  38  -5.328  -4.682   6.503
  300    HG1  THR  38           1HG      THR  38  -7.242  -5.603   6.782
  301   HG21  THR  38          3HG2      THR  38  -7.186  -4.009   5.064
  302   HG22  THR  38          1HG2      THR  38  -5.626  -3.831   4.245
  303   HG23  THR  38          2HG2      THR  38  -6.701  -5.200   3.841
  304    H    SER  39           H        SER  39  -4.506  -8.675   6.008
  305    HA   SER  39           HA       SER  39  -3.544  -8.202   8.731
  306    HB2  SER  39           1HB      SER  39  -4.162 -10.751   7.188
  307    HB3  SER  39           2HB      SER  39  -3.740 -10.672   8.895
  308    HG   SER  39           HG       SER  39  -6.008 -10.754   8.566
  309    H    LYS  40           H        LYS  40  -1.854  -8.300   5.880
  310    HA   LYS  40           HA       LYS  40   0.199 -10.211   6.550
  311    HB2  LYS  40           1HB      LYS  40  -0.791  -9.377   4.247
  312    HB3  LYS  40           2HB      LYS  40   0.385  -8.096   4.392
  313    HG2  LYS  40           1HG      LYS  40   1.655  -9.562   3.200
  314    HG3  LYS  40           2HG      LYS  40   2.036 -10.252   4.777
  315    HD2  LYS  40           1HD      LYS  40  -0.186 -11.170   2.886
  316    HD3  LYS  40           2HD      LYS  40   1.387 -11.949   3.042
  317    HE2  LYS  40           1HE      LYS  40   0.930 -12.702   5.271
  318    HE3  LYS  40           2HE      LYS  40  -0.493 -11.652   5.417
  319    HZ1  LYS  40           3HZ      LYS  40  -1.031 -14.003   4.958
  320    HZ2  LYS  40           1HZ      LYS  40  -1.687 -12.940   3.912
  321    HZ3  LYS  40           2HZ      LYS  40  -0.385 -13.854   3.459
  322    H    THR  41           H        THR  41   2.249  -9.970   7.119
  323    HA   THR  41           HA       THR  41   3.485  -7.369   7.744
  324    HB   THR  41           HB       THR  41   4.299  -8.404   9.956
  325    HG1  THR  41           1HG      THR  41   3.465 -10.493   9.576
  326   HG21  THR  41          3HG2      THR  41   2.444  -7.655  11.300
  327   HG22  THR  41          1HG2      THR  41   2.777  -6.511  10.009
  328   HG23  THR  41          2HG2      THR  41   1.375  -7.606   9.869
  329    H    ASN  42           H        ASN  42   5.764  -7.428   7.874
  330    HA   ASN  42           HA       ASN  42   7.140 -10.045   7.528
  331    HB2  ASN  42           1HB      ASN  42   6.740  -7.930   5.489
  332    HB3  ASN  42           2HB      ASN  42   8.385  -8.494   5.600
  333   HD21  ASN  42          2HD2      ASN  42   5.563  -8.913   3.917
  334   HD22  ASN  42          1HD2      ASN  42   5.751 -10.600   3.470
  335    H    THR  43           H        THR  43   8.856 -10.127   8.826
  336    HA   THR  43           HA       THR  43   9.962  -7.705  10.092
  337    HB   THR  43           HB       THR  43  10.760 -10.604  10.510
  338    HG1  THR  43           1HG      THR  43   9.259 -10.555  12.163
  339   HG21  THR  43          3HG2      THR  43  11.416  -9.729  12.777
  340   HG22  THR  43          1HG2      THR  43  12.386  -9.026  11.481
  341   HG23  THR  43          2HG2      THR  43  11.074  -8.078  12.215
  342    H    ASN  44           H        ASN  44  12.044  -6.998   9.943
  343    HA   ASN  44           HA       ASN  44  13.516  -7.779   7.457
  344    HB2  ASN  44           1HB      ASN  44  13.266  -5.057   8.807
  345    HB3  ASN  44           2HB      ASN  44  14.096  -5.401   7.290
  346   HD21  ASN  44          2HD2      ASN  44  10.962  -5.148   8.861
  347   HD22  ASN  44          1HD2      ASN  44   9.989  -5.176   7.386
  348    H    ARG  45           H        ARG  45  15.816  -7.351   7.422
  349    HA   ARG  45           HA       ARG  45  17.208  -8.554   9.584
  350    HB2  ARG  45           1HB      ARG  45  18.371  -6.876   7.320
  351    HB3  ARG  45           2HB      ARG  45  19.253  -8.010   8.352
  352    HG2  ARG  45           1HG      ARG  45  17.725  -9.855   7.506
  353    HG3  ARG  45           2HG      ARG  45  17.024  -8.675   6.389
  354    HD2  ARG  45           1HD      ARG  45  18.645  -9.931   5.163
  355    HD3  ARG  45           2HD      ARG  45  19.297  -8.301   5.403
  356    HE   ARG  45           HE       ARG  45  20.148 -10.095   7.504
  357   HH11  ARG  45          1HH1      ARG  45  20.870  -9.371   4.117
  358   HH12  ARG  45          2HH1      ARG  45  22.500  -9.966   4.244
  359   HH21  ARG  45          1HH2      ARG  45  22.260 -10.834   7.603
  360   HH22  ARG  45          2HH2      ARG  45  23.270 -10.786   6.190
  361    H    ASN  46           H        ASN  46  16.514  -5.201   9.017
  362    HA   ASN  46           HA       ASN  46  18.400  -4.111  10.938
  363    HB2  ASN  46           1HB      ASN  46  17.479  -2.947   8.906
  364    HB3  ASN  46           2HB      ASN  46  15.910  -2.855   9.711
  365   HD21  ASN  46          2HD2      ASN  46  19.401  -1.984  10.255
  366   HD22  ASN  46          1HD2      ASN  46  19.024  -0.471  11.060
  367    H    GLY  47           H        GLY  47  15.556  -5.889  11.454
  368    HA2  GLY  47           1HA      GLY  47  14.660  -6.516  13.501
  369    HA3  GLY  47           2HA      GLY  47  15.408  -5.113  14.297
  370    H    SER  48           H        SER  48  13.808  -3.999  11.577
  371    HA   SER  48           HA       SER  48  11.374  -3.164  13.056
  372    HB2  SER  48           1HB      SER  48  11.032  -1.742  11.062
  373    HB3  SER  48           2HB      SER  48  12.565  -1.434  11.878
  374    HG   SER  48           HG       SER  48  13.044  -1.565   9.711
  375    H    LYS  49           H        LYS  49   9.299  -3.298  11.918
  376    HA   LYS  49           HA       LYS  49   9.029  -5.658  10.117
  377    HB2  LYS  49           1HB      LYS  49   8.371  -6.020  12.583
  378    HB3  LYS  49           2HB      LYS  49   6.983  -4.986  12.239
  379    HG2  LYS  49           1HG      LYS  49   6.357  -6.563  10.371
  380    HG3  LYS  49           2HG      LYS  49   7.677  -7.611  10.880
  381    HD2  LYS  49           1HD      LYS  49   5.222  -6.852  12.511
  382    HD3  LYS  49           2HD      LYS  49   5.551  -8.413  11.742
  383    HE2  LYS  49           1HE      LYS  49   7.589  -8.659  13.168
  384    HE3  LYS  49           2HE      LYS  49   7.139  -7.169  14.016
  385    HZ1  LYS  49           3HZ      LYS  49   6.360  -9.129  15.204
  386    HZ2  LYS  49           1HZ      LYS  49   5.072  -8.263  14.694
  387    HZ3  LYS  49           2HZ      LYS  49   5.497  -9.640  13.916
  388    H    ASP  50           H        ASP  50   7.498  -5.575   8.603
  389    HA   ASP  50           HA       ASP  50   6.293  -2.953   7.945
  390    HB2  ASP  50           1HB      ASP  50   6.694  -3.303   5.830
  391    HB3  ASP  50           2HB      ASP  50   7.841  -4.512   6.380
  392    H    TYR  51           H        TYR  51   4.147  -2.731   7.531
  393    HA   TYR  51           HA       TYR  51   2.270  -4.889   8.405
  394    HB2  TYR  51           1HB      TYR  51   2.438  -1.983   9.309
  395    HB3  TYR  51           2HB      TYR  51   1.139  -3.090   9.727
  396    HD1  TYR  51           2HD      TYR  51   4.734  -2.298  10.209
  397    HD2  TYR  51           1HD      TYR  51   1.382  -4.641  11.541
  398    HE1  TYR  51           2HE      TYR  51   5.969  -2.882  12.271
  399    HE2  TYR  51           1HE      TYR  51   2.602  -5.222  13.629
  400    HH   TYR  51           HH       TYR  51   4.534  -4.929  14.857
  401    H    GLY  52           H        GLY  52   0.261  -4.909   7.499
  402    HA2  GLY  52           1HA      GLY  52  -1.668  -4.136   6.473
  403    HA3  GLY  52           2HA      GLY  52  -0.940  -2.530   6.347
  404    H    LEU  53           H        LEU  53  -2.365  -2.855   4.382
  405    HA   LEU  53           HA       LEU  53  -1.712  -4.671   2.375
  406    HB2  LEU  53           1HB      LEU  53  -3.782  -2.926   2.836
  407    HB3  LEU  53           2HB      LEU  53  -2.902  -1.967   1.659
  408    HG   LEU  53           HG       LEU  53  -2.915  -4.277   0.276
  409   HD11  LEU  53          1HD1      LEU  53  -3.950  -5.560   2.074
  410   HD12  LEU  53          2HD1      LEU  53  -5.364  -4.478   2.067
  411   HD13  LEU  53          3HD1      LEU  53  -5.035  -5.479   0.664
  412   HD21  LEU  53          3HD2      LEU  53  -5.014  -3.657  -0.774
  413   HD22  LEU  53          1HD2      LEU  53  -5.355  -2.512   0.555
  414   HD23  LEU  53          2HD2      LEU  53  -3.971  -2.231  -0.537
  415    H    PHE  54           H        PHE  54  -0.238  -1.551   2.861
  416    HA   PHE  54           HA       PHE  54   1.247  -1.797   0.283
  417    HB2  PHE  54           1HB      PHE  54   0.944   0.533   2.195
  418    HB3  PHE  54           2HB      PHE  54   1.856   0.569   0.698
  419    HD1  PHE  54           2HD      PHE  54  -1.564   0.304   2.117
  420    HD2  PHE  54           1HD      PHE  54   0.780   0.843  -1.455
  421    HE1  PHE  54           2HE      PHE  54  -3.601   0.961   0.899
  422    HE2  PHE  54           1HE      PHE  54  -1.267   1.529  -2.677
  423    HZ   PHE  54           HZ       PHE  54  -3.464   1.582  -1.517
  424    H    GLN  55           H        GLN  55   1.663  -3.156   3.151
  425    HA   GLN  55           HA       GLN  55   3.417  -3.895   4.395
  426    HB2  GLN  55           1HB      GLN  55   4.812  -3.532   1.714
  427    HB3  GLN  55           2HB      GLN  55   5.455  -4.465   3.048
  428    HG2  GLN  55           1HG      GLN  55   2.865  -5.049   1.536
  429    HG3  GLN  55           2HG      GLN  55   4.418  -5.831   1.272
  430   HE21  GLN  55          2HE2      GLN  55   1.697  -5.529   3.654
  431   HE22  GLN  55          1HE2      GLN  55   2.175  -6.964   4.513
  432    H    ILE  56           H        ILE  56   2.982  -1.532   5.281
  433    HA   ILE  56           HA       ILE  56   5.156   0.388   4.795
  434    HB   ILE  56           HB       ILE  56   2.785   0.717   6.682
  435   HG12  ILE  56          1HG1      ILE  56   2.972   1.260   3.674
  436   HG13  ILE  56          2HG1      ILE  56   1.864   0.116   4.458
  437   HG21  ILE  56          1HG2      ILE  56   4.672   2.304   6.857
  438   HG22  ILE  56          2HG2      ILE  56   4.444   2.739   5.145
  439   HG23  ILE  56          3HG2      ILE  56   3.179   3.077   6.353
  440   HD11  ILE  56          3HD1      ILE  56   0.530   1.972   3.873
  441   HD12  ILE  56          1HD1      ILE  56   0.795   2.131   5.619
  442   HD13  ILE  56          2HD1      ILE  56   1.721   3.127   4.466
  443    H    ASN  57           H        ASN  57   6.835   0.821   6.179
  444    HA   ASN  57           HA       ASN  57   7.164  -1.104   8.374
  445    HB2  ASN  57           1HB      ASN  57   8.774  -0.936   6.524
  446    HB3  ASN  57           2HB      ASN  57   9.164   0.714   7.022
  447   HD21  ASN  57          2HD2      ASN  57  10.038  -2.577   7.403
  448   HD22  ASN  57          1HD2      ASN  57  11.066  -2.344   8.809
  449    H    ASP  58           H        ASP  58   7.549  -0.709  10.433
  450    HA   ASP  58           HA       ASP  58   6.474   1.555  11.671
  451    HB2  ASP  58           1HB      ASP  58   6.974   0.591  13.705
  452    HB3  ASP  58           2HB      ASP  58   6.635  -0.738  12.609
  453    H    ARG  59           H        ARG  59   9.571   1.372  10.384
  454    HA   ARG  59           HA       ARG  59  10.740   3.428  12.182
  455    HB2  ARG  59           1HB      ARG  59  11.673   1.086  11.744
  456    HB3  ARG  59           2HB      ARG  59  12.169   1.659  10.163
  457    HG2  ARG  59           1HG      ARG  59  13.741   3.188  11.062
  458    HG3  ARG  59           2HG      ARG  59  12.992   3.169  12.666
  459    HD2  ARG  59           1HD      ARG  59  14.357   0.762  11.395
  460    HD3  ARG  59           2HD      ARG  59  15.163   1.891  12.500
  461    HE   ARG  59           HE       ARG  59  12.857   1.101  13.848
  462   HH11  ARG  59          1HH1      ARG  59  15.671  -0.629  12.597
  463   HH12  ARG  59          2HH1      ARG  59  15.593  -1.854  13.819
  464   HH21  ARG  59          1HH2      ARG  59  12.760  -0.524  15.379
  465   HH22  ARG  59          2HH2      ARG  59  13.953  -1.789  15.391
  466    H    TYR  60           H        TYR  60   9.072   3.403   9.376
  467    HA   TYR  60           HA       TYR  60  10.619   5.647   8.095
  468    HB2  TYR  60           1HB      TYR  60   9.223   3.254   6.847
  469    HB3  TYR  60           2HB      TYR  60   9.717   4.678   5.948
  470    HD1  TYR  60           2HD      TYR  60  11.118   1.966   8.116
  471    HD2  TYR  60           1HD      TYR  60  11.840   4.865   5.028
  472    HE1  TYR  60           2HE      TYR  60  13.413   1.046   7.815
  473    HE2  TYR  60           1HE      TYR  60  14.136   3.951   4.698
  474    HH   TYR  60           HH       TYR  60  15.689   2.391   5.379
  475    H    TRP  61           H        TRP  61   7.302   4.273   8.461
  476    HA   TRP  61           HA       TRP  61   6.183   6.972   7.755
  477    HB2  TRP  61           1HB      TRP  61   5.446   4.335   6.521
  478    HB3  TRP  61           2HB      TRP  61   4.703   5.869   6.129
  479    HD1  TRP  61           HD       TRP  61   7.134   3.491   4.901
  480    HE1  TRP  61           1HE      TRP  61   8.646   4.475   3.079
  481    HE3  TRP  61           3HE      TRP  61   6.147   8.465   5.634
  482    HZ2  TRP  61           2HZ      TRP  61   9.335   7.089   2.057
  483    HZ3  TRP  61           3HZ      TRP  61   7.242  10.174   4.234
  484    HH2  TRP  61           HH       TRP  61   8.837   9.509   2.434
  485    H    CYS  62           H        CYS  62   5.404   3.719   9.112
  486    HA   CYS  62           HA       CYS  62   3.246   5.031  10.730
  487    HB2  CYS  62           1HB      CYS  62   2.488   2.682  11.160
  488    HB3  CYS  62           2HB      CYS  62   2.240   3.280   9.532
  489    H    SER  63           H        SER  63   3.037   4.145  12.949
  490    HA   SER  63           HA       SER  63   5.712   3.652  14.221
  491    HB2  SER  63           1HB      SER  63   4.191   5.837  14.551
  492    HB3  SER  63           2HB      SER  63   3.393   4.801  15.727
  493    HG   SER  63           HG       SER  63   5.101   5.797  16.791
  494    H    LYS  64           H        LYS  64   5.935   2.061  15.715
  495    HA   LYS  64           HA       LYS  64   3.784   0.019  15.816
  496    HB2  LYS  64           1HB      LYS  64   5.528  -1.440  16.744
  497    HB3  LYS  64           2HB      LYS  64   5.968  -0.781  15.184
  498    HG2  LYS  64           1HG      LYS  64   7.671   0.566  16.065
  499    HG3  LYS  64           2HG      LYS  64   6.914   0.716  17.643
  500    HD2  LYS  64           1HD      LYS  64   9.004  -0.641  17.648
  501    HD3  LYS  64           2HD      LYS  64   7.588  -1.458  18.332
  502    HE2  LYS  64           1HE      LYS  64   7.231  -2.690  16.259
  503    HE3  LYS  64           2HE      LYS  64   8.577  -1.839  15.480
  504    HZ1  LYS  64           3HZ      LYS  64   9.264  -4.024  16.282
  505    HZ2  LYS  64           1HZ      LYS  64  10.074  -2.869  17.106
  506    HZ3  LYS  64           2HZ      LYS  64   8.829  -3.660  17.815
  507    H    GLY  65           H        GLY  65   4.708   2.507  17.893
  508    HA2  GLY  65           1HA      GLY  65   4.676   1.051  20.395
  509    HA3  GLY  65           2HA      GLY  65   4.746   2.813  20.194
  510    H    ALA  66           H        ALA  66   3.327   2.965  22.028
  511    HA   ALA  66           HA       ALA  66   0.621   1.891  21.934
  512    HB1  ALA  66           1HB      ALA  66   1.916   2.149  24.028
  513    HB2  ALA  66           2HB      ALA  66   1.916   3.918  23.811
  514    HB3  ALA  66           3HB      ALA  66   0.391   3.048  24.083
  515    H    SER  67           H        SER  67   1.836   4.348  20.127
  516    HA   SER  67           HA       SER  67  -0.745   5.634  19.631
  517    HB2  SER  67           1HB      SER  67   1.545   7.069  21.015
  518    HB3  SER  67           2HB      SER  67   0.418   7.949  19.983
  519    HG   SER  67           HG       SER  67  -0.458   6.286  22.124
  520    HA   PRO  68           HA       PRO  68   1.305   6.296  15.636
  521    HB2  PRO  68           1HB      PRO  68  -0.078   8.425  14.637
  522    HB3  PRO  68           2HB      PRO  68  -0.818   6.802  14.805
  523    HG2  PRO  68           1HG      PRO  68  -1.033   9.147  16.715
  524    HG3  PRO  68           2HG      PRO  68  -2.359   8.143  16.040
  525    HD2  PRO  68           1HD      PRO  68  -1.306   7.652  18.492
  526    HD3  PRO  68           2HD      PRO  68  -1.800   6.311  17.418
  527    H    GLY  69           H        GLY  69   2.646   7.981  14.522
  528    HA2  GLY  69           1HA      GLY  69   3.404  10.470  15.446
  529    HA3  GLY  69           2HA      GLY  69   4.278   9.395  16.523
  530    H    LYS  70           H        LYS  70   3.702  10.178  13.150
  531    HA   LYS  70           HA       LYS  70   6.498   9.976  12.336
  532    HB2  LYS  70           1HB      LYS  70   4.346   8.122  11.198
  533    HB3  LYS  70           2HB      LYS  70   5.875   8.420  10.382
  534    HG2  LYS  70           1HG      LYS  70   5.531   7.054  13.040
  535    HG3  LYS  70           2HG      LYS  70   5.861   6.314  11.484
  536    HD2  LYS  70           1HD      LYS  70   8.030   7.308  11.323
  537    HD3  LYS  70           2HD      LYS  70   7.802   8.236  12.812
  538    HE2  LYS  70           1HE      LYS  70   7.727   5.187  12.695
  539    HE3  LYS  70           2HE      LYS  70   9.200   6.113  12.994
  540    HZ1  LYS  70           3HZ      LYS  70   8.240   5.477  15.079
  541    HZ2  LYS  70           1HZ      LYS  70   8.088   7.101  14.945
  542    HZ3  LYS  70           2HZ      LYS  70   6.791   6.135  14.733
  543    H    ASP  71           H        ASP  71   6.464  10.326   9.789
  544    HA   ASP  71           HA       ASP  71   5.384  12.874   9.139
  545    HB2  ASP  71           1HB      ASP  71   7.260  11.849   7.946
  546    HB3  ASP  71           2HB      ASP  71   6.214  10.562   7.342
  547    H    CYS  72           H        CYS  72   3.977   9.634   8.640
  548    HA   CYS  72           HA       CYS  72   1.561  10.801   7.368
  549    HB2  CYS  72           1HB      CYS  72   2.401   7.921   7.757
  550    HB3  CYS  72           2HB      CYS  72   1.018   8.491   6.829
  551    H    ASN  73           H        ASN  73   2.430  10.374  10.527
  552    HA   ASN  73           HA       ASN  73   1.307  10.228  12.495
  553    HB2  ASN  73           1HB      ASN  73  -0.677  11.737  10.746
  554    HB3  ASN  73           2HB      ASN  73  -0.760  11.667  12.505
  555   HD21  ASN  73          2HD2      ASN  73   0.820  13.231   9.816
  556   HD22  ASN  73          1HD2      ASN  73   1.887  14.217  10.796
  557    H    VAL  74           H        VAL  74   1.203   7.769  11.596
  558    HA   VAL  74           HA       VAL  74  -1.470   6.733  12.324
  559    HB   VAL  74           HB       VAL  74  -1.471   7.120   9.881
  560   HG11  VAL  74          1HG1      VAL  74   0.937   6.717   9.392
  561   HG12  VAL  74          2HG1      VAL  74   0.697   4.986   9.711
  562   HG13  VAL  74          3HG1      VAL  74  -0.138   5.765   8.358
  563   HG21  VAL  74          3HG2      VAL  74  -2.360   4.975   9.236
  564   HG22  VAL  74          1HG2      VAL  74  -1.560   4.171  10.598
  565   HG23  VAL  74          2HG2      VAL  74  -2.859   5.350  10.892
  566    H    LYS  75           H        LYS  75  -1.524   4.712  13.139
  567    HA   LYS  75           HA       LYS  75   1.036   3.636  14.148
  568    HB2  LYS  75           1HB      LYS  75  -1.069   4.365  15.495
  569    HB3  LYS  75           2HB      LYS  75  -1.747   2.815  15.001
  570    HG2  LYS  75           1HG      LYS  75   0.126   1.640  16.127
  571    HG3  LYS  75           2HG      LYS  75   0.895   3.197  16.461
  572    HD2  LYS  75           1HD      LYS  75  -0.066   2.616  18.475
  573    HD3  LYS  75           2HD      LYS  75  -1.150   3.834  17.847
  574    HE2  LYS  75           1HE      LYS  75  -1.720   0.873  17.420
  575    HE3  LYS  75           2HE      LYS  75  -2.000   1.607  18.995
  576    HZ1  LYS  75           3HZ      LYS  75  -4.011   1.683  17.728
  577    HZ2  LYS  75           1HZ      LYS  75  -3.495   3.214  17.926
  578    HZ3  LYS  75           2HZ      LYS  75  -3.336   2.462  16.475
  579    H    CYS  76           H        CYS  76   1.819   1.656  13.626
  580    HA   CYS  76           HA       CYS  76   1.264   0.183  11.349
  581    HB2  CYS  76           1HB      CYS  76   2.316  -0.818  14.030
  582    HB3  CYS  76           2HB      CYS  76   2.499  -1.641  12.491
  583    H    SER  77           H        SER  77  -0.239  -0.368  14.560
  584    HA   SER  77           HA       SER  77  -1.537  -2.837  13.842
  585    HB2  SER  77           1HB      SER  77  -0.990  -2.010  16.161
  586    HB3  SER  77           2HB      SER  77  -2.360  -0.891  16.019
  587    HG   SER  77           HG       SER  77  -2.912  -2.898  17.060
  588    H    ASP  78           H        ASP  78  -2.613   0.583  13.491
  589    HA   ASP  78           HA       ASP  78  -5.362  -0.111  12.859
  590    HB2  ASP  78           1HB      ASP  78  -3.701   2.390  12.400
  591    HB3  ASP  78           2HB      ASP  78  -5.382   2.235  11.913
  592    H    LEU  79           H        LEU  79  -2.439  -0.386  11.067
  593    HA   LEU  79           HA       LEU  79  -3.662  -0.251   8.409
  594    HB2  LEU  79           1HB      LEU  79  -0.998  -1.528   9.095
  595    HB3  LEU  79           2HB      LEU  79  -1.541  -0.847   7.570
  596    HG   LEU  79           HG       LEU  79  -0.762   0.694  10.072
  597   HD11  LEU  79          1HD1      LEU  79   1.113  -0.192   8.793
  598   HD12  LEU  79          2HD1      LEU  79   0.437   0.451   7.284
  599   HD13  LEU  79          3HD1      LEU  79   1.012   1.559   8.544
  600   HD21  LEU  79          3HD2      LEU  79  -1.069   2.746   8.693
  601   HD22  LEU  79          1HD2      LEU  79  -1.816   1.756   7.431
  602   HD23  LEU  79          2HD2      LEU  79  -2.603   1.925   9.014
  603    H    LEU  80           H        LEU  80  -3.630  -2.605  10.887
  604    HA   LEU  80           HA       LEU  80  -3.886  -4.914   9.056
  605    HB2  LEU  80           1HB      LEU  80  -3.817  -4.846  12.085
  606    HB3  LEU  80           2HB      LEU  80  -3.706  -6.272  11.061
  607    HG   LEU  80           HG       LEU  80  -1.630  -4.060  11.270
  608   HD11  LEU  80          1HD1      LEU  80  -1.778  -5.529  13.248
  609   HD12  LEU  80          2HD1      LEU  80  -1.642  -6.966  12.210
  610   HD13  LEU  80          3HD1      LEU  80  -0.280  -5.844  12.363
  611   HD21  LEU  80          3HD2      LEU  80  -0.179  -5.551   9.902
  612   HD22  LEU  80          1HD2      LEU  80  -1.571  -6.618   9.613
  613   HD23  LEU  80          2HD2      LEU  80  -1.569  -4.947   9.000
  614    H    THR  81           H        THR  81  -6.020  -2.685   9.905
  615    HA   THR  81           HA       THR  81  -8.219  -4.290  10.980
  616    HB   THR  81           HB       THR  81  -9.530  -2.223  10.821
  617    HG1  THR  81           1HG      THR  81  -7.191  -0.916   9.941
  618   HG21  THR  81          3HG2      THR  81  -8.242  -0.846  12.391
  619   HG22  THR  81          1HG2      THR  81  -8.172  -2.562  12.825
  620   HG23  THR  81          2HG2      THR  81  -6.776  -1.790  12.051
  621    H    ASP  82           H        ASP  82 -10.440  -3.758   9.826
  622    HA   ASP  82           HA       ASP  82 -10.307  -5.241   7.292
  623    HB2  ASP  82           1HB      ASP  82 -12.708  -4.358   8.929
  624    HB3  ASP  82           2HB      ASP  82 -12.700  -5.531   7.611
  625    H    ASP  83           H        ASP  83  -9.665  -2.280   7.605
  626    HA   ASP  83           HA       ASP  83 -10.961  -1.324   5.124
  627    HB2  ASP  83           1HB      ASP  83 -12.440  -0.246   6.562
  628    HB3  ASP  83           2HB      ASP  83 -11.235  -0.052   7.835
  629    H    ILE  84           H        ILE  84  -9.464  -0.650   3.822
  630    HA   ILE  84           HA       ILE  84  -6.698  -0.679   4.643
  631    HB   ILE  84           HB       ILE  84  -6.168  -0.610   2.329
  632   HG12  ILE  84          1HG1      ILE  84  -9.018   0.290   1.721
  633   HG13  ILE  84          2HG1      ILE  84  -7.595   1.325   1.704
  634   HG21  ILE  84          1HG2      ILE  84  -7.361  -2.673   3.185
  635   HG22  ILE  84          2HG2      ILE  84  -8.842  -2.072   2.437
  636   HG23  ILE  84          3HG2      ILE  84  -7.440  -2.470   1.437
  637   HD11  ILE  84          3HD1      ILE  84  -8.141   0.759  -0.543
  638   HD12  ILE  84          1HD1      ILE  84  -6.594  -0.008  -0.108
  639   HD13  ILE  84          2HD1      ILE  84  -8.091  -0.978  -0.194
  640    H    THR  85           H        THR  85  -8.865   1.976   4.575
  641    HA   THR  85           HA       THR  85  -7.268   3.855   3.240
  642    HB   THR  85           HB       THR  85  -9.774   3.881   3.899
  643    HG1  THR  85           1HG      THR  85  -9.728   5.822   3.021
  644   HG21  THR  85          3HG2      THR  85 -10.376   5.513   5.548
  645   HG22  THR  85          1HG2      THR  85  -9.393   4.275   6.346
  646   HG23  THR  85          2HG2      THR  85  -8.675   5.851   5.941
  647    H    LYS  86           H        LYS  86  -6.886   2.942   6.612
  648    HA   LYS  86           HA       LYS  86  -5.225   5.227   7.294
  649    HB2  LYS  86           1HB      LYS  86  -5.330   2.406   8.458
  650    HB3  LYS  86           2HB      LYS  86  -4.294   3.683   9.050
  651    HG2  LYS  86           1HG      LYS  86  -6.056   3.847  10.502
  652    HG3  LYS  86           2HG      LYS  86  -6.355   5.148   9.372
  653    HD2  LYS  86           1HD      LYS  86  -8.407   3.977  10.012
  654    HD3  LYS  86           2HD      LYS  86  -8.125   3.824   8.279
  655    HE2  LYS  86           1HE      LYS  86  -7.226   1.539   8.599
  656    HE3  LYS  86           2HE      LYS  86  -7.360   1.707  10.350
  657    HZ1  LYS  86           3HZ      LYS  86  -9.178   0.463   9.337
  658    HZ2  LYS  86           1HZ      LYS  86  -9.747   1.791  10.121
  659    HZ3  LYS  86           2HZ      LYS  86  -9.669   1.783   8.481
  660    H    ALA  87           H        ALA  87  -4.577   2.244   5.538
  661    HA   ALA  87           HA       ALA  87  -1.664   2.783   5.394
  662    HB1  ALA  87           1HB      ALA  87  -2.664   0.444   5.661
  663    HB2  ALA  87           2HB      ALA  87  -3.305   0.607   4.013
  664    HB3  ALA  87           3HB      ALA  87  -1.548   0.646   4.306
  665    H    ALA  88           H        ALA  88  -4.570   2.861   3.319
  666    HA   ALA  88           HA       ALA  88  -3.199   3.498   0.918
  667    HB1  ALA  88           1HB      ALA  88  -5.569   2.524   1.331
  668    HB2  ALA  88           2HB      ALA  88  -6.088   4.227   1.478
  669    HB3  ALA  88           3HB      ALA  88  -5.346   3.627  -0.014
  670    H    LYS  89           H        LYS  89  -4.726   5.743   3.306
  671    HA   LYS  89           HA       LYS  89  -4.069   8.149   1.841
  672    HB2  LYS  89           1HB      LYS  89  -4.565   7.580   4.785
  673    HB3  LYS  89           2HB      LYS  89  -4.336   9.205   4.125
  674    HG2  LYS  89           1HG      LYS  89  -6.299   8.985   2.694
  675    HG3  LYS  89           2HG      LYS  89  -6.550   7.310   3.214
  676    HD2  LYS  89           1HD      LYS  89  -6.834   8.085   5.562
  677    HD3  LYS  89           2HD      LYS  89  -6.662   9.763   5.036
  678    HE2  LYS  89           1HE      LYS  89  -8.828   7.817   4.113
  679    HE3  LYS  89           2HE      LYS  89  -9.033   9.018   5.389
  680    HZ1  LYS  89           3HZ      LYS  89  -9.890   9.847   3.301
  681    HZ2  LYS  89           1HZ      LYS  89  -8.606  10.756   3.736
  682    HZ3  LYS  89           2HZ      LYS  89  -8.457   9.640   2.546
  683    H    CYS  90           H        CYS  90  -2.235   6.188   4.156
  684    HA   CYS  90           HA       CYS  90   0.055   7.969   4.390
  685    HB2  CYS  90           1HB      CYS  90  -0.421   6.270   6.045
  686    HB3  CYS  90           2HB      CYS  90  -0.332   4.985   4.844
  687    H    ALA  91           H        ALA  91  -0.750   5.234   2.210
  688    HA   ALA  91           HA       ALA  91   1.614   5.267   0.665
  689    HB1  ALA  91           1HB      ALA  91  -0.114   3.482   0.690
  690    HB2  ALA  91           2HB      ALA  91  -1.213   4.548  -0.197
  691    HB3  ALA  91           3HB      ALA  91   0.296   4.015  -0.955
  692    H    LYS  92           H        LYS  92  -1.355   7.357   0.243
  693    HA   LYS  92           HA       LYS  92  -0.339   8.653  -2.092
  694    HB2  LYS  92           1HB      LYS  92  -2.030  10.017   0.014
  695    HB3  LYS  92           2HB      LYS  92  -1.897  10.392  -1.705
  696    HG2  LYS  92           1HG      LYS  92  -3.325   8.107  -0.372
  697    HG3  LYS  92           2HG      LYS  92  -4.005   9.383  -1.330
  698    HD2  LYS  92           1HD      LYS  92  -2.296   7.074  -2.339
  699    HD3  LYS  92           2HD      LYS  92  -4.037   7.258  -2.503
  700    HE2  LYS  92           1HE      LYS  92  -3.916   8.944  -4.104
  701    HE3  LYS  92           2HE      LYS  92  -2.242   9.371  -3.690
  702    HZ1  LYS  92           3HZ      LYS  92  -2.345   8.119  -5.749
  703    HZ2  LYS  92           1HZ      LYS  92  -1.551   7.235  -4.618
  704    HZ3  LYS  92           2HZ      LYS  92  -3.092   6.854  -5.004
  705    H    LYS  93           H        LYS  93   0.156   9.505   1.379
  706    HA   LYS  93           HA       LYS  93   1.776  11.808   0.731
  707    HB2  LYS  93           1HB      LYS  93   0.537  11.430   2.899
  708    HB3  LYS  93           2HB      LYS  93   1.815  10.293   3.364
  709    HG2  LYS  93           1HG      LYS  93   3.507  12.092   3.150
  710    HG3  LYS  93           2HG      LYS  93   2.275  13.196   2.521
  711    HD2  LYS  93           1HD      LYS  93   1.095  13.038   4.740
  712    HD3  LYS  93           2HD      LYS  93   2.470  12.065   5.336
  713    HE2  LYS  93           1HE      LYS  93   4.030  13.891   4.787
  714    HE3  LYS  93           2HE      LYS  93   2.715  14.858   4.105
  715    HZ1  LYS  93           3HZ      LYS  93   3.277  15.519   6.379
  716    HZ2  LYS  93           1HZ      LYS  93   1.732  14.979   6.314
  717    HZ3  LYS  93           2HZ      LYS  93   2.911  14.027   6.942
  718    H    ILE  94           H        ILE  94   2.591   8.408   0.954
  719    HA   ILE  94           HA       ILE  94   5.483   8.877   0.696
  720    HB   ILE  94           HB       ILE  94   3.797   6.426   0.040
  721   HG12  ILE  94          1HG1      ILE  94   5.683   6.901   2.378
  722   HG13  ILE  94          2HG1      ILE  94   3.966   7.188   2.510
  723   HG21  ILE  94          1HG2      ILE  94   5.832   6.440  -1.299
  724   HG22  ILE  94          2HG2      ILE  94   6.803   6.937   0.097
  725   HG23  ILE  94          3HG2      ILE  94   6.079   5.306   0.029
  726   HD11  ILE  94          3HD1      ILE  94   4.412   5.018   3.423
  727   HD12  ILE  94          1HD1      ILE  94   3.518   4.795   1.912
  728   HD13  ILE  94          2HD1      ILE  94   5.272   4.497   1.967
  729    H    TYR  95           H        TYR  95   2.859   8.148  -1.670
  730    HA   TYR  95           HA       TYR  95   4.432   8.215  -3.967
  731    HB2  TYR  95           1HB      TYR  95   2.446   7.352  -4.428
  732    HB3  TYR  95           2HB      TYR  95   1.566   8.374  -3.309
  733    HD1  TYR  95           2HD      TYR  95   1.012  10.791  -3.979
  734    HD2  TYR  95           1HD      TYR  95   2.213   7.730  -6.765
  735    HE1  TYR  95           2HE      TYR  95   0.009  12.094  -5.837
  736    HE2  TYR  95           1HE      TYR  95   1.243   9.046  -8.634
  737    HH   TYR  95           HH       TYR  95  -0.390  12.199  -8.106
  738    H    LYS  96           H        LYS  96   3.198  10.976  -2.202
  739    HA   LYS  96           HA       LYS  96   3.803  13.114  -3.972
  740    HB2  LYS  96           1HB      LYS  96   3.832  12.696  -0.968
  741    HB3  LYS  96           2HB      LYS  96   4.307  14.255  -1.656
  742    HG2  LYS  96           1HG      LYS  96   2.124  14.372  -2.889
  743    HG3  LYS  96           2HG      LYS  96   1.604  12.901  -2.056
  744    HD2  LYS  96           1HD      LYS  96   1.884  14.075   0.138
  745    HD3  LYS  96           2HD      LYS  96   2.387  15.539  -0.732
  746    HE2  LYS  96           1HE      LYS  96   0.196  15.545  -1.943
  747    HE3  LYS  96           2HE      LYS  96  -0.312  14.130  -1.016
  748    HZ1  LYS  96           3HZ      LYS  96  -1.149  16.188  -0.043
  749    HZ2  LYS  96           1HZ      LYS  96  -0.121  15.479   1.008
  750    HZ3  LYS  96           2HZ      LYS  96   0.359  16.784   0.142
  751    H    ARG  97           H        ARG  97   6.028  11.050  -2.229
  752    HA   ARG  97           HA       ARG  97   8.394  12.747  -2.951
  753    HB2  ARG  97           1HB      ARG  97   8.065  10.700  -0.784
  754    HB3  ARG  97           2HB      ARG  97   9.557  11.552  -1.223
  755    HG2  ARG  97           1HG      ARG  97   8.287  13.763  -0.854
  756    HG3  ARG  97           2HG      ARG  97   6.976  12.781  -0.147
  757    HD2  ARG  97           1HD      ARG  97   8.747  11.720   1.298
  758    HD3  ARG  97           2HD      ARG  97   9.877  12.943   0.741
  759    HE   ARG  97           HE       ARG  97   8.863  14.566   2.039
  760   HH11  ARG  97          1HH1      ARG  97   6.637  11.797   2.117
  761   HH12  ARG  97          2HH1      ARG  97   6.058  12.228   3.712
  762   HH21  ARG  97          1HH2      ARG  97   7.932  15.110   4.000
  763   HH22  ARG  97          2HH2      ARG  97   6.730  14.074   4.721
  764    H    HIS  98           H        HIS  98   7.015   9.504  -3.080
  765    HA   HIS  98           HA       HIS  98   8.931   8.543  -5.159
  766    HB2  HIS  98           1HB      HIS  98   8.294   7.282  -2.454
  767    HB3  HIS  98           2HB      HIS  98   9.120   6.444  -3.757
  768    HD2  HIS  98           2HD      HIS  98   9.784   8.590  -0.794
  769    HE1  HIS  98           1HE      HIS  98  13.424   8.640  -3.000
  770    HE2  HIS  98           2HE      HIS  98  12.338   9.227  -0.772
  771    H    ARG  99           H        ARG  99   7.003   8.870  -6.529
  772    HA   ARG  99           HA       ARG  99   4.476   8.083  -6.047
  773    HB2  ARG  99           1HB      ARG  99   3.957   8.089  -8.365
  774    HB3  ARG  99           2HB      ARG  99   4.966   9.444  -7.923
  775    HG2  ARG  99           1HG      ARG  99   6.094   6.948  -9.277
  776    HG3  ARG  99           2HG      ARG  99   5.326   8.259 -10.162
  777    HD2  ARG  99           1HD      ARG  99   6.995   9.848  -9.041
  778    HD3  ARG  99           2HD      ARG  99   7.899   8.412  -8.559
  779    HE   ARG  99           HE       ARG  99   7.507   9.516 -11.269
  780   HH11  ARG  99          1HH1      ARG  99   8.915   6.816  -9.429
  781   HH12  ARG  99          2HH1      ARG  99   9.704   6.184 -10.833
  782   HH21  ARG  99          1HH2      ARG  99   8.615   8.664 -13.005
  783   HH22  ARG  99          2HH2      ARG  99   9.561   7.219 -12.815
  784    H    PHE 100           H        PHE 100   6.840   5.802  -7.393
  785    HA   PHE 100           HA       PHE 100   5.194   3.608  -6.229
  786    HB2  PHE 100           1HB      PHE 100   6.431   3.490  -8.997
  787    HB3  PHE 100           2HB      PHE 100   5.548   2.213  -8.163
  788    HD1  PHE 100           1HD      PHE 100   3.090   2.727  -7.446
  789    HD2  PHE 100           2HD      PHE 100   5.227   4.898 -10.496
  790    HE1  PHE 100           1HE      PHE 100   0.947   3.501  -8.389
  791    HE2  PHE 100           2HE      PHE 100   3.071   5.693 -11.432
  792    HZ   PHE 100           HZ       PHE 100   0.926   4.990 -10.381
  793    H    ASP 101           H        ASP 101   8.147   5.145  -6.389
  794    HA   ASP 101           HA       ASP 101   9.996   3.029  -6.636
  795    HB2  ASP 101           1HB      ASP 101  10.450   5.780  -5.427
  796    HB3  ASP 101           2HB      ASP 101  11.629   4.753  -6.228
  797    H    ALA 102           H        ALA 102   8.275   4.106  -3.834
  798    HA   ALA 102           HA       ALA 102  10.217   3.284  -1.828
  799    HB1  ALA 102           1HB      ALA 102   8.581   5.081  -1.437
  800    HB2  ALA 102           2HB      ALA 102   7.243   3.925  -1.645
  801    HB3  ALA 102           3HB      ALA 102   8.356   3.766  -0.274
  802    H    TRP 103           H        TRP 103   8.378   1.439  -3.898
  803    HA   TRP 103           HA       TRP 103   8.192  -0.902  -2.036
  804    HB2  TRP 103           1HB      TRP 103   6.366  -0.045  -4.319
  805    HB3  TRP 103           2HB      TRP 103   6.217  -1.546  -3.417
  806    HD1  TRP 103           HD       TRP 103   5.496  -1.372  -0.835
  807    HE1  TRP 103           1HE      TRP 103   4.036   0.286   0.408
  808    HE3  TRP 103           3HE      TRP 103   5.780   2.541  -4.122
  809    HZ2  TRP 103           2HZ      TRP 103   2.992   2.975  -0.018
  810    HZ3  TRP 103           3HZ      TRP 103   4.540   4.641  -3.683
  811    HH2  TRP 103           HH       TRP 103   3.115   4.858  -1.657
  812    H    TYR 104           H        TYR 104   8.535  -2.964  -2.886
  813    HA   TYR 104           HA       TYR 104  10.745  -2.876  -4.852
  814    HB2  TYR 104           1HB      TYR 104  10.981  -3.861  -2.547
  815    HB3  TYR 104           2HB      TYR 104   9.864  -5.137  -3.027
  816    HD1  TYR 104           2HD      TYR 104  13.037  -3.435  -4.024
  817    HD2  TYR 104           1HD      TYR 104  10.738  -7.073  -4.131
  818    HE1  TYR 104           2HE      TYR 104  14.974  -4.619  -5.073
  819    HE2  TYR 104           1HE      TYR 104  12.668  -8.272  -5.166
  820    HH   TYR 104           HH       TYR 104  15.771  -6.616  -5.895
  821    H    GLY 105           H        GLY 105   7.615  -4.542  -4.394
  822    HA2  GLY 105           1HA      GLY 105   7.814  -6.331  -6.597
  823    HA3  GLY 105           2HA      GLY 105   6.301  -5.754  -5.852
  824    H    TRP 106           H        TRP 106   6.859  -2.910  -6.541
  825    HA   TRP 106           HA       TRP 106   5.744  -2.833  -9.163
  826    HB2  TRP 106           1HB      TRP 106   5.336  -1.093  -7.574
  827    HB3  TRP 106           2HB      TRP 106   7.040  -0.639  -7.554
  828    HD1  TRP 106           HD       TRP 106   3.953  -0.573  -9.848
  829    HE1  TRP 106           1HE      TRP 106   4.333   1.093 -11.766
  830    HE3  TRP 106           3HE      TRP 106   8.820   0.657  -8.881
  831    HZ2  TRP 106           2HZ      TRP 106   6.486   2.765 -12.745
  832    HZ3  TRP 106           3HZ      TRP 106  10.030   2.250 -10.331
  833    HH2  TRP 106           HH       TRP 106   8.875   3.320 -12.267
  834    H    LYS 107           H        LYS 107   9.121  -2.322  -8.069
  835    HA   LYS 107           HA       LYS 107  10.011  -2.016 -10.876
  836    HB2  LYS 107           1HB      LYS 107  12.230  -1.541  -9.867
  837    HB3  LYS 107           2HB      LYS 107  10.941  -0.402  -9.509
  838    HG2  LYS 107           1HG      LYS 107  10.688  -1.260  -7.261
  839    HG3  LYS 107           2HG      LYS 107  11.862  -2.563  -7.572
  840    HD2  LYS 107           1HD      LYS 107  13.624  -0.883  -7.976
  841    HD3  LYS 107           2HD      LYS 107  12.483   0.435  -7.695
  842    HE2  LYS 107           1HE      LYS 107  13.144  -1.704  -5.621
  843    HE3  LYS 107           2HE      LYS 107  14.055  -0.200  -5.770
  844    HZ1  LYS 107           3HZ      LYS 107  12.298  -0.040  -4.094
  845    HZ2  LYS 107           1HZ      LYS 107  12.059   1.052  -5.272
  846    HZ3  LYS 107           2HZ      LYS 107  11.135  -0.295  -5.222
  847    H    ASN 108           H        ASN 108   9.838  -4.611  -8.594
  848    HA   ASN 108           HA       ASN 108  11.826  -6.212 -10.078
  849    HB2  ASN 108           1HB      ASN 108  11.756  -6.075  -7.581
  850    HB3  ASN 108           2HB      ASN 108  10.207  -6.927  -7.611
  851   HD21  ASN 108          2HD2      ASN 108  13.634  -7.235  -8.769
  852   HD22  ASN 108          1HD2      ASN 108  13.684  -8.975  -8.564
  853    H    HIS 109           H        HIS 109   8.303  -5.994  -9.908
  854    HA   HIS 109           HA       HIS 109   8.104  -8.307 -11.820
  855    HB2  HIS 109           1HB      HIS 109   6.235  -7.642  -9.513
  856    HB3  HIS 109           2HB      HIS 109   5.974  -8.888 -10.727
  857    HD2  HIS 109           2HD      HIS 109   7.412  -8.441  -7.356
  858    HE1  HIS 109           1HE      HIS 109   9.122 -12.076  -8.758
  859    HE2  HIS 109           2HE      HIS 109   8.768 -10.601  -6.713
  860    H    CYS 110           H        CYS 110   6.353  -5.341 -10.698
  861    HA   CYS 110           HA       CYS 110   4.410  -5.496 -12.771
  862    HB2  CYS 110           1HB      CYS 110   5.195  -2.989 -11.270
  863    HB3  CYS 110           2HB      CYS 110   3.658  -3.349 -12.028
  864    H    GLN 111           H        GLN 111   7.630  -4.541 -13.210
  865    HA   GLN 111           HA       GLN 111   7.222  -2.665 -15.414
  866    HB2  GLN 111           1HB      GLN 111   9.648  -4.395 -14.759
  867    HB3  GLN 111           2HB      GLN 111   9.613  -3.007 -15.840
  868    HG2  GLN 111           1HG      GLN 111   9.235  -2.968 -12.825
  869    HG3  GLN 111           2HG      GLN 111  10.640  -2.411 -13.711
  870   HE21  GLN 111          2HE2      GLN 111   7.857  -1.306 -12.176
  871   HE22  GLN 111          1HE2      GLN 111   7.780   0.258 -12.977
  872    H    GLY 112           H        GLY 112   7.123  -6.175 -15.142
  873    HA2  GLY 112           1HA      GLY 112   7.712  -6.683 -17.968
  874    HA3  GLY 112           2HA      GLY 112   7.192  -7.857 -16.736
  875    H    SER 113           H        SER 113   4.779  -6.483 -15.970
  876    HA   SER 113           HA       SER 113   3.021  -5.990 -18.187
  877    HB2  SER 113           1HB      SER 113   3.378  -8.485 -18.446
  878    HB3  SER 113           2HB      SER 113   2.669  -8.694 -16.838
  879    HG   SER 113           HG       SER 113   1.134  -8.927 -18.574
  880    H    LEU 114           H        LEU 114   0.929  -5.358 -17.491
  881    HA   LEU 114           HA       LEU 114   0.413  -5.247 -14.561
  882    HB2  LEU 114           1HB      LEU 114  -0.226  -3.257 -16.779
  883    HB3  LEU 114           2HB      LEU 114  -0.855  -3.139 -15.146
  884    HG   LEU 114           HG       LEU 114   2.126  -3.074 -15.808
  885   HD11  LEU 114          1HD1      LEU 114   0.937  -1.193 -16.827
  886   HD12  LEU 114          2HD1      LEU 114   0.180  -0.803 -15.264
  887   HD13  LEU 114          3HD1      LEU 114   1.940  -0.647 -15.470
  888   HD21  LEU 114          3HD2      LEU 114   2.294  -2.079 -13.514
  889   HD22  LEU 114          1HD2      LEU 114   0.570  -2.422 -13.259
  890   HD23  LEU 114          2HD2      LEU 114   1.727  -3.753 -13.491
  891    HA   PRO 115           HA       PRO 115  -3.380  -7.369 -15.631
  892    HB2  PRO 115           1HB      PRO 115  -4.929  -6.890 -13.471
  893    HB3  PRO 115           2HB      PRO 115  -3.420  -7.850 -13.345
  894    HG2  PRO 115           1HG      PRO 115  -3.801  -4.895 -12.735
  895    HG3  PRO 115           2HG      PRO 115  -3.035  -6.148 -11.700
  896    HD2  PRO 115           1HD      PRO 115  -1.576  -4.512 -13.338
  897    HD3  PRO 115           2HD      PRO 115  -1.110  -6.220 -13.047
  898    H    ASP 116           H        ASP 116  -5.723  -6.991 -15.972
  899    HA   ASP 116           HA       ASP 116  -6.285  -4.384 -17.168
  900    HB2  ASP 116           1HB      ASP 116  -7.065  -6.399 -18.285
  901    HB3  ASP 116           2HB      ASP 116  -7.959  -6.902 -16.842
  902    H    ILE 117           H        ILE 117  -7.785  -2.942 -16.582
  903    HA   ILE 117           HA       ILE 117  -9.364  -3.288 -14.067
  904    HB   ILE 117           HB       ILE 117  -9.128  -0.907 -13.586
  905   HG12  ILE 117          1HG1      ILE 117  -7.023  -0.848 -15.808
  906   HG13  ILE 117          2HG1      ILE 117  -8.643  -0.170 -15.939
  907   HG21  ILE 117          1HG2      ILE 117  -7.643  -2.605 -12.511
  908   HG22  ILE 117          2HG2      ILE 117  -6.400  -2.269 -13.723
  909   HG23  ILE 117          3HG2      ILE 117  -6.911  -1.000 -12.588
  910   HD11  ILE 117          3HD1      ILE 117  -7.092   1.589 -15.476
  911   HD12  ILE 117          1HD1      ILE 117  -8.162   1.376 -14.073
  912   HD13  ILE 117          2HD1      ILE 117  -6.490   0.751 -14.036
  913    H    SER 118           H        SER 118  -9.550  -2.789 -17.438
  914    HA   SER 118           HA       SER 118 -11.795  -0.957 -17.476
  915    HB2  SER 118           1HB      SER 118 -10.854  -2.975 -19.543
  916    HB3  SER 118           2HB      SER 118 -12.053  -1.699 -19.807
  917    HG   SER 118           HG       SER 118  -9.920  -1.083 -20.490
  918    H    SER 119           H        SER 119 -11.547  -4.429 -16.923
  919    HA   SER 119           HA       SER 119 -14.441  -4.880 -17.094
  920    HB2  SER 119           1HB      SER 119 -12.535  -6.553 -17.487
  921    HB3  SER 119           2HB      SER 119 -12.383  -6.630 -15.724
  922    HG   SER 119           HG       SER 119 -13.776  -8.269 -16.604
  923    H    CYS 120           H        CYS 120 -12.646  -3.131 -14.826
  924    HA   CYS 120           HA       CYS 120 -14.281  -3.980 -12.481
  925    HB2  CYS 120           1HB      CYS 120 -11.684  -2.431 -12.614
  926    HB3  CYS 120           2HB      CYS 120 -12.519  -2.948 -11.154
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -9.395  -7.501  10.223
    2    H2   GLY   1           2H       GLY   1  -8.184  -8.592  10.451
    3    H3   GLY   1           3H       GLY   1  -7.911  -6.993  10.735
    4    HA2  GLY   1           1HA      GLY   1  -8.269  -6.466   8.431
    5    HA3  GLY   1           2HA      GLY   1  -6.907  -7.572   8.657
    6    H    LYS   2           H        LYS   2  -7.949  -7.443   6.230
    7    HA   LYS   2           HA       LYS   2  -9.297 -10.000   5.706
    8    HB2  LYS   2           1HB      LYS   2 -11.194  -9.013   4.569
    9    HB3  LYS   2           2HB      LYS   2 -11.158  -8.430   6.232
   10    HG2  LYS   2           1HG      LYS   2 -10.155  -6.286   5.486
   11    HG3  LYS   2           2HG      LYS   2 -10.144  -6.853   3.815
   12    HD2  LYS   2           1HD      LYS   2 -12.658  -6.493   5.490
   13    HD3  LYS   2           2HD      LYS   2 -12.006  -5.301   4.354
   14    HE2  LYS   2           1HE      LYS   2 -12.208  -6.935   2.495
   15    HE3  LYS   2           2HE      LYS   2 -12.911  -8.117   3.609
   16    HZ1  LYS   2           3HZ      LYS   2 -14.628  -6.912   2.400
   17    HZ2  LYS   2           1HZ      LYS   2 -14.746  -6.567   3.992
   18    HZ3  LYS   2           2HZ      LYS   2 -14.096  -5.474   2.962
   19    H    THR   3           H        THR   3  -9.532 -10.435   3.380
   20    HA   THR   3           HA       THR   3  -7.349  -9.190   1.775
   21    HB   THR   3           HB       THR   3  -8.458 -11.976   1.368
   22    HG1  THR   3           1HG      THR   3  -6.690 -12.657   2.576
   23   HG21  THR   3          3HG2      THR   3  -6.213 -12.257   0.260
   24   HG22  THR   3          1HG2      THR   3  -7.207 -11.032  -0.542
   25   HG23  THR   3          2HG2      THR   3  -5.890 -10.530   0.539
   26    H    PHE   4           H        PHE   4  -7.778  -8.273  -0.072
   27    HA   PHE   4           HA       PHE   4 -10.558  -8.175  -1.106
   28    HB2  PHE   4           1HB      PHE   4  -8.074  -6.486  -1.660
   29    HB3  PHE   4           2HB      PHE   4  -9.586  -6.257  -2.476
   30    HD1  PHE   4           1HD      PHE   4  -8.143  -6.229   1.036
   31    HD2  PHE   4           2HD      PHE   4 -11.268  -4.847  -1.617
   32    HE1  PHE   4           1HE      PHE   4  -9.091  -4.856   2.848
   33    HE2  PHE   4           2HE      PHE   4 -12.204  -3.482   0.212
   34    HZ   PHE   4           HZ       PHE   4 -11.135  -3.494   2.459
   35    H    THR   5           H        THR   5 -10.926  -8.229  -3.380
   36    HA   THR   5           HA       THR   5  -9.048  -9.876  -5.039
   37    HB   THR   5           HB       THR   5 -11.284 -10.890  -4.750
   38    HG1  THR   5           1HG      THR   5 -11.462 -11.257  -6.959
   39   HG21  THR   5          3HG2      THR   5 -13.239  -9.954  -5.853
   40   HG22  THR   5          1HG2      THR   5 -12.681  -8.793  -4.643
   41   HG23  THR   5          2HG2      THR   5 -12.336  -8.520  -6.367
   42    H    ARG   6           H        ARG   6  -8.928  -9.086  -7.357
   43    HA   ARG   6           HA       ARG   6  -7.962  -6.427  -7.287
   44    HB2  ARG   6           1HB      ARG   6  -7.292  -8.253  -8.866
   45    HB3  ARG   6           2HB      ARG   6  -8.763  -7.948  -9.797
   46    HG2  ARG   6           1HG      ARG   6  -8.034  -5.610 -10.204
   47    HG3  ARG   6           2HG      ARG   6  -6.599  -5.864  -9.200
   48    HD2  ARG   6           1HD      ARG   6  -7.253  -7.322 -11.790
   49    HD3  ARG   6           2HD      ARG   6  -6.097  -5.996 -11.619
   50    HE   ARG   6           HE       ARG   6  -4.984  -7.599  -9.855
   51   HH11  ARG   6          1HH1      ARG   6  -6.487  -8.816 -12.834
   52   HH12  ARG   6          2HH1      ARG   6  -5.456 -10.216 -12.864
   53   HH21  ARG   6          1HH2      ARG   6  -3.588  -9.246 -10.075
   54   HH22  ARG   6          2HH2      ARG   6  -3.834 -10.477 -11.298
   55    H    CYS   7           H        CYS   7 -11.075  -7.614  -8.616
   56    HA   CYS   7           HA       CYS   7 -12.094  -5.081  -9.463
   57    HB2  CYS   7           1HB      CYS   7 -13.624  -7.520  -8.488
   58    HB3  CYS   7           2HB      CYS   7 -14.274  -6.194  -9.450
   59    H    GLY   8           H        GLY   8 -11.922  -6.439  -6.232
   60    HA2  GLY   8           1HA      GLY   8 -13.725  -4.455  -5.005
   61    HA3  GLY   8           2HA      GLY   8 -12.679  -5.638  -4.173
   62    H    LEU   9           H        LEU   9 -10.169  -5.090  -5.066
   63    HA   LEU   9           HA       LEU   9  -9.400  -2.773  -3.632
   64    HB2  LEU   9           1HB      LEU   9  -8.017  -4.819  -4.028
   65    HB3  LEU   9           2HB      LEU   9  -7.876  -4.379  -5.734
   66    HG   LEU   9           HG       LEU   9  -6.763  -2.252  -5.064
   67   HD11  LEU   9          1HD1      LEU   9  -7.622  -1.890  -2.825
   68   HD12  LEU   9          2HD1      LEU   9  -6.954  -3.436  -2.269
   69   HD13  LEU   9          3HD1      LEU   9  -5.872  -2.086  -2.705
   70   HD21  LEU   9          3HD2      LEU   9  -4.620  -3.183  -4.586
   71   HD22  LEU   9          1HD2      LEU   9  -5.336  -4.647  -3.879
   72   HD23  LEU   9          2HD2      LEU   9  -5.469  -4.333  -5.628
   73    H    VAL  10           H        VAL  10  -9.626  -3.202  -7.213
   74    HA   VAL  10           HA       VAL  10  -8.765  -0.626  -7.985
   75    HB   VAL  10           HB       VAL  10 -10.890  -2.445  -9.180
   76   HG11  VAL  10          1HG1      VAL  10 -11.574  -0.325 -10.020
   77   HG12  VAL  10          2HG1      VAL  10  -9.912   0.229 -10.235
   78   HG13  VAL  10          3HG1      VAL  10 -10.577  -1.021 -11.299
   79   HG21  VAL  10          3HG2      VAL  10  -9.185  -2.899 -10.873
   80   HG22  VAL  10          1HG2      VAL  10  -8.084  -1.721 -10.134
   81   HG23  VAL  10          2HG2      VAL  10  -8.507  -3.210  -9.276
   82    H    HIS  11           H        HIS  11 -12.002  -1.630  -6.897
   83    HA   HIS  11           HA       HIS  11 -13.249   0.989  -7.149
   84    HB2  HIS  11           1HB      HIS  11 -14.025  -1.553  -5.674
   85    HB3  HIS  11           2HB      HIS  11 -14.999  -0.100  -5.670
   86    HD2  HIS  11           2HD      HIS  11 -13.552  -0.534  -9.112
   87    HE1  HIS  11           1HE      HIS  11 -17.420  -2.302  -9.259
   88    HE2  HIS  11           2HE      HIS  11 -15.468  -1.485 -10.661
   89    H    GLU  12           H        GLU  12 -11.860  -0.797  -4.391
   90    HA   GLU  12           HA       GLU  12 -12.500   1.049  -2.335
   91    HB2  GLU  12           1HB      GLU  12 -11.480  -1.430  -2.383
   92    HB3  GLU  12           2HB      GLU  12  -9.957  -0.578  -2.283
   93    HG2  GLU  12           1HG      GLU  12 -10.749  -1.283  -0.100
   94    HG3  GLU  12           2HG      GLU  12 -10.693   0.488  -0.196
   95    H    LEU  13           H        LEU  13  -9.613   0.870  -4.438
   96    HA   LEU  13           HA       LEU  13  -8.338   3.213  -3.282
   97    HB2  LEU  13           1HB      LEU  13  -7.948   1.778  -5.920
   98    HB3  LEU  13           2HB      LEU  13  -6.822   2.945  -5.238
   99    HG   LEU  13           HG       LEU  13  -7.527   0.305  -3.950
  100   HD11  LEU  13          1HD1      LEU  13  -6.334  -0.004  -6.049
  101   HD12  LEU  13          2HD1      LEU  13  -5.106   1.192  -5.558
  102   HD13  LEU  13          3HD1      LEU  13  -5.241  -0.356  -4.691
  103   HD21  LEU  13          3HD2      LEU  13  -5.594   0.706  -2.508
  104   HD22  LEU  13          1HD2      LEU  13  -5.360   2.316  -3.247
  105   HD23  LEU  13          2HD2      LEU  13  -6.813   1.964  -2.283
  106    H    ARG  14           H        ARG  14 -10.321   2.713  -6.224
  107    HA   ARG  14           HA       ARG  14 -10.269   5.392  -7.206
  108    HB2  ARG  14           1HB      ARG  14 -12.396   3.239  -7.293
  109    HB3  ARG  14           2HB      ARG  14 -12.702   4.840  -7.961
  110    HG2  ARG  14           1HG      ARG  14 -10.957   4.649  -9.582
  111    HG3  ARG  14           2HG      ARG  14 -10.333   3.165  -8.841
  112    HD2  ARG  14           1HD      ARG  14 -12.385   1.968  -9.355
  113    HD3  ARG  14           2HD      ARG  14 -13.116   3.441 -10.038
  114    HE   ARG  14           HE       ARG  14 -10.715   2.961 -11.429
  115   HH11  ARG  14          1HH1      ARG  14 -13.895   1.424 -11.094
  116   HH12  ARG  14          2HH1      ARG  14 -13.709   0.526 -12.589
  117   HH21  ARG  14          1HH2      ARG  14 -10.628   1.794 -13.418
  118   HH22  ARG  14          2HH2      ARG  14 -11.967   0.757 -13.841
  119    H    LYS  15           H        LYS  15 -12.395   3.978  -4.664
  120    HA   LYS  15           HA       LYS  15 -13.810   6.373  -4.005
  121    HB2  LYS  15           1HB      LYS  15 -14.527   4.031  -3.624
  122    HB3  LYS  15           2HB      LYS  15 -13.175   3.798  -2.512
  123    HG2  LYS  15           1HG      LYS  15 -14.135   5.528  -1.013
  124    HG3  LYS  15           2HG      LYS  15 -15.472   5.748  -2.157
  125    HD2  LYS  15           1HD      LYS  15 -16.195   4.325  -0.304
  126    HD3  LYS  15           2HD      LYS  15 -16.146   3.369  -1.797
  127    HE2  LYS  15           1HE      LYS  15 -13.905   2.484  -1.143
  128    HE3  LYS  15           2HE      LYS  15 -13.950   3.461   0.324
  129    HZ1  LYS  15           3HZ      LYS  15 -14.568   1.159   0.698
  130    HZ2  LYS  15           1HZ      LYS  15 -15.836   2.141   1.075
  131    HZ3  LYS  15           2HZ      LYS  15 -15.844   1.270  -0.320
  132    H    HIS  16           H        HIS  16 -10.815   4.904  -2.682
  133    HA   HIS  16           HA       HIS  16 -10.498   6.937  -0.642
  134    HB2  HIS  16           1HB      HIS  16  -8.742   4.637  -1.579
  135    HB3  HIS  16           2HB      HIS  16  -8.353   5.694  -0.225
  136    HD2  HIS  16           2HD      HIS  16  -8.429   3.060   0.850
  137    HE1  HIS  16           1HE      HIS  16 -12.531   3.361   1.838
  138    HE2  HIS  16           2HE      HIS  16 -10.417   2.106   2.323
  139    H    GLY  17           H        GLY  17  -9.885   7.265  -3.895
  140    HA2  GLY  17           1HA      GLY  17  -9.228   9.353  -4.781
  141    HA3  GLY  17           2HA      GLY  17  -8.250   9.694  -3.338
  142    H    PHE  18           H        PHE  18  -8.149   6.800  -5.457
  143    HA   PHE  18           HA       PHE  18  -5.358   7.483  -6.291
  144    HB2  PHE  18           1HB      PHE  18  -6.882   4.888  -6.162
  145    HB3  PHE  18           2HB      PHE  18  -5.316   5.055  -6.927
  146    HD1  PHE  18           2HD      PHE  18  -6.930   5.816  -3.560
  147    HD2  PHE  18           1HD      PHE  18  -3.447   4.464  -5.698
  148    HE1  PHE  18           2HE      PHE  18  -5.772   5.475  -1.440
  149    HE2  PHE  18           1HE      PHE  18  -2.293   4.041  -3.545
  150    HZ   PHE  18           HZ       PHE  18  -3.446   4.539  -1.405
  151    H    GLU  19           H        GLU  19  -4.871   7.629  -8.477
  152    HA   GLU  19           HA       GLU  19  -7.072   8.444 -10.167
  153    HB2  GLU  19           1HB      GLU  19  -4.134   8.139 -10.872
  154    HB3  GLU  19           2HB      GLU  19  -5.356   9.023 -11.788
  155    HG2  GLU  19           1HG      GLU  19  -4.312   9.742  -9.024
  156    HG3  GLU  19           2HG      GLU  19  -3.903  10.527 -10.542
  157    H    GLU  20           H        GLU  20  -7.996   7.462 -11.909
  158    HA   GLU  20           HA       GLU  20  -7.915   4.665 -12.147
  159    HB2  GLU  20           1HB      GLU  20  -9.385   4.913 -14.044
  160    HB3  GLU  20           2HB      GLU  20  -9.844   6.016 -12.750
  161    HG2  GLU  20           1HG      GLU  20  -8.710   7.891 -13.977
  162    HG3  GLU  20           2HG      GLU  20  -8.317   6.772 -15.284
  163    H    ASN  21           H        ASN  21  -5.880   7.014 -13.833
  164    HA   ASN  21           HA       ASN  21  -4.921   5.049 -15.783
  165    HB2  ASN  21           1HB      ASN  21  -3.600   6.776 -16.666
  166    HB3  ASN  21           2HB      ASN  21  -5.166   7.489 -16.307
  167   HD21  ASN  21          2HD2      ASN  21  -2.227   8.562 -16.488
  168   HD22  ASN  21          1HD2      ASN  21  -2.086   9.506 -15.016
  169    H    LEU  22           H        LEU  22  -4.125   5.836 -12.517
  170    HA   LEU  22           HA       LEU  22  -1.457   4.481 -12.692
  171    HB2  LEU  22           1HB      LEU  22  -2.789   5.964 -10.391
  172    HB3  LEU  22           2HB      LEU  22  -1.164   5.288 -10.395
  173    HG   LEU  22           HG       LEU  22  -2.162   7.638 -12.034
  174   HD11  LEU  22          1HD1      LEU  22  -1.767   8.091  -9.640
  175   HD12  LEU  22          2HD1      LEU  22  -0.114   7.450  -9.786
  176   HD13  LEU  22          3HD1      LEU  22  -0.583   8.927 -10.657
  177   HD21  LEU  22          3HD2      LEU  22   0.189   7.935 -12.783
  178   HD22  LEU  22          1HD2      LEU  22   0.615   6.376 -12.048
  179   HD23  LEU  22          2HD2      LEU  22  -0.521   6.448 -13.414
  180    H    MET  23           H        MET  23  -4.732   3.853 -11.888
  181    HA   MET  23           HA       MET  23  -4.690   2.177  -9.751
  182    HB2  MET  23           1HB      MET  23  -6.610   3.046 -11.200
  183    HB3  MET  23           2HB      MET  23  -6.369   1.659 -12.230
  184    HG2  MET  23           1HG      MET  23  -8.185   1.302 -10.593
  185    HG3  MET  23           2HG      MET  23  -6.884   0.146 -10.335
  186    HE1  MET  23           3HE      MET  23  -7.929   3.809  -7.761
  187    HE2  MET  23           1HE      MET  23  -6.655   4.023  -8.986
  188    HE3  MET  23           2HE      MET  23  -8.292   3.547  -9.474
  189    H    ARG  24           H        ARG  24  -3.997   1.036 -13.105
  190    HA   ARG  24           HA       ARG  24  -3.548  -1.688 -12.563
  191    HB2  ARG  24           1HB      ARG  24  -2.049   0.089 -14.539
  192    HB3  ARG  24           2HB      ARG  24  -2.087  -1.680 -14.537
  193    HG2  ARG  24           1HG      ARG  24  -4.583  -1.577 -14.835
  194    HG3  ARG  24           2HG      ARG  24  -4.448   0.186 -14.989
  195    HD2  ARG  24           1HD      ARG  24  -4.542  -0.649 -17.199
  196    HD3  ARG  24           2HD      ARG  24  -2.852  -0.187 -16.922
  197    HE   ARG  24           HE       ARG  24  -3.324  -2.964 -16.255
  198   HH11  ARG  24          1HH1      ARG  24  -2.889  -0.925 -19.120
  199   HH12  ARG  24          2HH1      ARG  24  -2.385  -2.268 -20.101
  200   HH21  ARG  24          1HH2      ARG  24  -2.671  -4.628 -17.558
  201   HH22  ARG  24          2HH2      ARG  24  -2.255  -4.343 -19.221
  202    H    ASN  25           H        ASN  25  -1.141   0.990 -12.401
  203    HA   ASN  25           HA       ASN  25   1.080  -0.596 -11.545
  204    HB2  ASN  25           1HB      ASN  25   0.472   2.361 -11.047
  205    HB3  ASN  25           2HB      ASN  25   1.985   1.561 -10.679
  206   HD21  ASN  25          2HD2      ASN  25   3.087   3.073 -12.049
  207   HD22  ASN  25          1HD2      ASN  25   3.034   2.855 -13.793
  208    H    TRP  26           H        TRP  26  -1.390   1.250  -9.684
  209    HA   TRP  26           HA       TRP  26  -0.307   0.671  -7.115
  210    HB2  TRP  26           1HB      TRP  26  -3.016   1.605  -8.099
  211    HB3  TRP  26           2HB      TRP  26  -2.713   1.282  -6.400
  212    HD1  TRP  26           HD       TRP  26  -2.593   4.067  -8.723
  213    HE1  TRP  26           1HE      TRP  26  -1.369   6.066  -7.694
  214    HE3  TRP  26           3HE      TRP  26  -0.179   1.655  -4.908
  215    HZ2  TRP  26           2HZ      TRP  26   0.257   6.597  -5.345
  216    HZ3  TRP  26           3HZ      TRP  26   1.190   2.927  -3.284
  217    HH2  TRP  26           HH       TRP  26   1.395   5.396  -3.472
  218    H    VAL  27           H        VAL  27  -3.054  -1.002  -8.822
  219    HA   VAL  27           HA       VAL  27  -3.333  -2.875  -6.655
  220    HB   VAL  27           HB       VAL  27  -4.693  -4.277  -7.968
  221   HG11  VAL  27          1HG1      VAL  27  -5.587  -2.089  -7.170
  222   HG12  VAL  27          2HG1      VAL  27  -5.320  -1.429  -8.794
  223   HG13  VAL  27          3HG1      VAL  27  -6.441  -2.777  -8.558
  224   HG21  VAL  27          3HG2      VAL  27  -5.141  -3.914 -10.384
  225   HG22  VAL  27          1HG2      VAL  27  -3.773  -2.783 -10.443
  226   HG23  VAL  27          2HG2      VAL  27  -3.508  -4.496 -10.049
  227    H    CYS  28           H        CYS  28  -1.254  -2.977  -9.564
  228    HA   CYS  28           HA       CYS  28  -0.364  -5.679  -9.123
  229    HB2  CYS  28           1HB      CYS  28  -0.315  -4.355 -11.221
  230    HB3  CYS  28           2HB      CYS  28   1.036  -3.418 -10.615
  231    H    LEU  29           H        LEU  29   1.046  -2.527  -8.152
  232    HA   LEU  29           HA       LEU  29   3.244  -3.430  -6.616
  233    HB2  LEU  29           1HB      LEU  29   2.799  -1.137  -7.278
  234    HB3  LEU  29           2HB      LEU  29   1.355  -1.050  -6.295
  235    HG   LEU  29           HG       LEU  29   4.158  -1.375  -5.150
  236   HD11  LEU  29          1HD1      LEU  29   3.901   0.734  -6.442
  237   HD12  LEU  29          2HD1      LEU  29   2.429   1.120  -5.527
  238   HD13  LEU  29          3HD1      LEU  29   4.002   1.056  -4.715
  239   HD21  LEU  29          3HD2      LEU  29   3.055  -0.387  -3.079
  240   HD22  LEU  29          1HD2      LEU  29   1.483  -0.622  -3.861
  241   HD23  LEU  29          2HD2      LEU  29   2.513  -2.013  -3.448
  242    H    VAL  30           H        VAL  30  -0.106  -2.756  -5.479
  243    HA   VAL  30           HA       VAL  30   0.291  -3.673  -2.833
  244    HB   VAL  30           HB       VAL  30  -2.184  -3.392  -4.550
  245   HG11  VAL  30          1HG1      VAL  30  -2.816  -5.131  -2.976
  246   HG12  VAL  30          2HG1      VAL  30  -2.105  -4.219  -1.628
  247   HG13  VAL  30          3HG1      VAL  30  -3.546  -3.614  -2.482
  248   HG21  VAL  30          3HG2      VAL  30  -2.606  -1.449  -3.117
  249   HG22  VAL  30          1HG2      VAL  30  -1.202  -1.851  -2.103
  250   HG23  VAL  30          2HG2      VAL  30  -0.969  -1.328  -3.778
  251    H    GLU  31           H        GLU  31  -0.868  -5.562  -5.681
  252    HA   GLU  31           HA       GLU  31  -1.334  -7.984  -4.239
  253    HB2  GLU  31           1HB      GLU  31  -0.698  -7.378  -7.149
  254    HB3  GLU  31           2HB      GLU  31  -0.913  -9.039  -6.568
  255    HG2  GLU  31           1HG      GLU  31  -3.146  -8.631  -5.842
  256    HG3  GLU  31           2HG      GLU  31  -3.024  -6.897  -6.121
  257    H    HIS  32           H        HIS  32   1.666  -6.809  -5.837
  258    HA   HIS  32           HA       HIS  32   3.106  -9.219  -5.054
  259    HB2  HIS  32           1HB      HIS  32   3.811  -6.630  -6.393
  260    HB3  HIS  32           2HB      HIS  32   5.043  -7.841  -5.978
  261    HD2  HIS  32           2HD      HIS  32   3.196  -6.877  -8.864
  262    HE1  HIS  32           1HE      HIS  32   3.375 -11.104  -9.320
  263    HE2  HIS  32           2HE      HIS  32   2.873  -8.908 -10.514
  264    H    GLU  33           H        GLU  33   2.561  -6.146  -3.466
  265    HA   GLU  33           HA       GLU  33   4.734  -6.556  -1.516
  266    HB2  GLU  33           1HB      GLU  33   2.502  -4.516  -1.759
  267    HB3  GLU  33           2HB      GLU  33   3.540  -4.599  -0.347
  268    HG2  GLU  33           1HG      GLU  33   4.509  -4.151  -3.198
  269    HG3  GLU  33           2HG      GLU  33   4.282  -2.905  -1.979
  270    H    SER  34           H        SER  34   1.086  -6.530  -1.234
  271    HA   SER  34           HA       SER  34   1.431  -8.103   1.297
  272    HB2  SER  34           1HB      SER  34  -0.734  -6.072   0.717
  273    HB3  SER  34           2HB      SER  34  -0.343  -6.852   2.260
  274    HG   SER  34           HG       SER  34   0.999  -4.817   0.873
  275    H    SER  35           H        SER  35   0.269  -8.557  -1.788
  276    HA   SER  35           HA       SER  35  -1.204  -9.922  -2.774
  277    HB2  SER  35           1HB      SER  35  -1.867 -11.325  -0.204
  278    HB3  SER  35           2HB      SER  35  -1.799 -11.969  -1.842
  279    HG   SER  35           HG       SER  35   0.515 -11.758  -1.739
  280    H    ARG  36           H        ARG  36  -2.158  -7.448  -1.421
  281    HA   ARG  36           HA       ARG  36  -4.013  -6.261  -1.004
  282    HB2  ARG  36           1HB      ARG  36  -5.941  -8.350  -1.932
  283    HB3  ARG  36           2HB      ARG  36  -5.962  -6.590  -2.098
  284    HG2  ARG  36           1HG      ARG  36  -4.156  -6.854  -3.873
  285    HG3  ARG  36           2HG      ARG  36  -4.392  -8.596  -3.736
  286    HD2  ARG  36           1HD      ARG  36  -6.998  -7.904  -3.980
  287    HD3  ARG  36           2HD      ARG  36  -6.318  -6.490  -4.745
  288    HE   ARG  36           HE       ARG  36  -5.648  -7.751  -6.548
  289   HH11  ARG  36          1HH1      ARG  36  -6.759 -10.060  -4.071
  290   HH12  ARG  36          2HH1      ARG  36  -6.542 -11.407  -5.154
  291   HH21  ARG  36          1HH2      ARG  36  -5.405  -9.438  -7.801
  292   HH22  ARG  36          2HH2      ARG  36  -5.860 -11.064  -7.308
  293    H    ASP  37           H        ASP  37  -3.014  -8.061   1.041
  294    HA   ASP  37           HA       ASP  37  -5.471  -8.619   2.675
  295    HB2  ASP  37           1HB      ASP  37  -4.240 -10.658   2.221
  296    HB3  ASP  37           2HB      ASP  37  -2.739  -9.915   2.755
  297    H    THR  38           H        THR  38  -5.836  -7.178   4.214
  298    HA   THR  38           HA       THR  38  -3.866  -5.174   4.930
  299    HB   THR  38           HB       THR  38  -5.414  -4.382   6.630
  300    HG1  THR  38           1HG      THR  38  -7.309  -5.318   6.964
  301   HG21  THR  38          3HG2      THR  38  -7.348  -3.811   5.195
  302   HG22  THR  38          1HG2      THR  38  -5.794  -3.553   4.401
  303   HG23  THR  38          2HG2      THR  38  -6.795  -4.978   3.977
  304    H    SER  39           H        SER  39  -4.639  -8.337   6.300
  305    HA   SER  39           HA       SER  39  -3.382  -7.807   8.876
  306    HB2  SER  39           1HB      SER  39  -4.218 -10.388   7.507
  307    HB3  SER  39           2HB      SER  39  -3.653 -10.248   9.170
  308    HG   SER  39           HG       SER  39  -5.935 -10.266   9.048
  309    H    LYS  40           H        LYS  40  -1.954  -8.146   5.848
  310    HA   LYS  40           HA       LYS  40   0.057 -10.102   6.445
  311    HB2  LYS  40           1HB      LYS  40  -0.888  -9.424   4.167
  312    HB3  LYS  40           2HB      LYS  40   0.081  -7.971   4.278
  313    HG2  LYS  40           1HG      LYS  40   1.294  -9.527   2.940
  314    HG3  LYS  40           2HG      LYS  40   2.157  -9.401   4.442
  315    HD2  LYS  40           1HD      LYS  40   2.041 -11.720   3.588
  316    HD3  LYS  40           2HD      LYS  40   1.309 -11.573   5.174
  317    HE2  LYS  40           1HE      LYS  40  -0.027 -13.039   3.772
  318    HE3  LYS  40           2HE      LYS  40  -0.952 -11.599   4.190
  319    HZ1  LYS  40           3HZ      LYS  40  -1.158 -12.225   1.843
  320    HZ2  LYS  40           1HZ      LYS  40  -0.529 -10.727   1.966
  321    HZ3  LYS  40           2HZ      LYS  40   0.432 -12.000   1.583
  322    H    THR  41           H        THR  41   2.190  -9.933   6.905
  323    HA   THR  41           HA       THR  41   3.525  -7.364   7.419
  324    HB   THR  41           HB       THR  41   4.380  -8.202   9.631
  325    HG1  THR  41           1HG      THR  41   3.637 -10.397   9.270
  326   HG21  THR  41          3HG2      THR  41   2.573  -7.535  11.028
  327   HG22  THR  41          1HG2      THR  41   2.658  -6.468   9.637
  328   HG23  THR  41          2HG2      THR  41   1.392  -7.721   9.698
  329    H    ASN  42           H        ASN  42   5.725  -7.455   7.616
  330    HA   ASN  42           HA       ASN  42   7.132 -10.013   7.160
  331    HB2  ASN  42           1HB      ASN  42   7.117  -7.642   5.243
  332    HB3  ASN  42           2HB      ASN  42   8.445  -8.786   5.298
  333   HD21  ASN  42          2HD2      ASN  42   5.137  -8.309   4.259
  334   HD22  ASN  42          1HD2      ASN  42   5.027  -9.828   3.371
  335    H    THR  43           H        THR  43   9.011 -10.096   8.288
  336    HA   THR  43           HA       THR  43   9.953  -7.730   9.794
  337    HB   THR  43           HB       THR  43  11.085 -10.552   9.827
  338    HG1  THR  43           1HG      THR  43   9.630 -11.011  11.388
  339   HG21  THR  43          3HG2      THR  43  11.635  -9.922  12.193
  340   HG22  THR  43          1HG2      THR  43  12.471  -8.905  11.016
  341   HG23  THR  43          2HG2      THR  43  11.044  -8.276  11.872
  342    H    ASN  44           H        ASN  44  11.962  -6.797   9.586
  343    HA   ASN  44           HA       ASN  44  13.536  -7.422   7.118
  344    HB2  ASN  44           1HB      ASN  44  13.373  -4.850   8.746
  345    HB3  ASN  44           2HB      ASN  44  14.312  -5.092   7.277
  346   HD21  ASN  44          2HD2      ASN  44  11.048  -4.833   8.579
  347   HD22  ASN  44          1HD2      ASN  44  10.272  -4.411   7.037
  348    H    ARG  45           H        ARG  45  15.841  -7.229   7.227
  349    HA   ARG  45           HA       ARG  45  17.104  -8.567   9.405
  350    HB2  ARG  45           1HB      ARG  45  18.392  -6.851   7.238
  351    HB3  ARG  45           2HB      ARG  45  19.218  -8.025   8.275
  352    HG2  ARG  45           1HG      ARG  45  17.744  -9.832   7.343
  353    HG3  ARG  45           2HG      ARG  45  17.052  -8.637   6.224
  354    HD2  ARG  45           1HD      ARG  45  19.295  -8.227   5.264
  355    HD3  ARG  45           2HD      ARG  45  19.993  -9.418   6.382
  356    HE   ARG  45           HE       ARG  45  17.874 -10.661   4.957
  357   HH11  ARG  45          1HH1      ARG  45  21.127  -9.450   4.268
  358   HH12  ARG  45          2HH1      ARG  45  21.363 -10.565   2.955
  359   HH21  ARG  45          1HH2      ARG  45  18.242 -12.070   3.252
  360   HH22  ARG  45          2HH2      ARG  45  19.750 -12.026   2.390
  361    H    ASN  46           H        ASN  46  16.541  -5.186   8.880
  362    HA   ASN  46           HA       ASN  46  18.323  -4.063  10.831
  363    HB2  ASN  46           1HB      ASN  46  17.312  -2.805   8.982
  364    HB3  ASN  46           2HB      ASN  46  15.696  -3.094   9.626
  365   HD21  ASN  46          2HD2      ASN  46  14.854  -1.520  10.954
  366   HD22  ASN  46          1HD2      ASN  46  15.828  -0.302  11.772
  367    H    GLY  47           H        GLY  47  15.388  -5.884  11.297
  368    HA2  GLY  47           1HA      GLY  47  14.485  -6.586  13.341
  369    HA3  GLY  47           2HA      GLY  47  15.281  -5.243  14.196
  370    H    SER  48           H        SER  48  13.838  -3.886  11.517
  371    HA   SER  48           HA       SER  48  11.356  -3.080  12.926
  372    HB2  SER  48           1HB      SER  48  11.142  -1.561  10.935
  373    HB3  SER  48           2HB      SER  48  12.546  -1.257  11.961
  374    HG   SER  48           HG       SER  48  12.964  -1.283   9.623
  375    H    LYS  49           H        LYS  49   9.314  -3.168  11.739
  376    HA   LYS  49           HA       LYS  49   9.093  -5.519   9.900
  377    HB2  LYS  49           1HB      LYS  49   8.421  -5.804  12.461
  378    HB3  LYS  49           2HB      LYS  49   6.974  -4.956  11.945
  379    HG2  LYS  49           1HG      LYS  49   6.645  -6.771  10.193
  380    HG3  LYS  49           2HG      LYS  49   8.004  -7.621  10.958
  381    HD2  LYS  49           1HD      LYS  49   6.669  -7.376  13.179
  382    HD3  LYS  49           2HD      LYS  49   5.321  -6.859  12.167
  383    HE2  LYS  49           1HE      LYS  49   4.927  -9.143  12.523
  384    HE3  LYS  49           2HE      LYS  49   5.588  -9.072  10.888
  385    HZ1  LYS  49           3HZ      LYS  49   6.602 -10.838  12.204
  386    HZ2  LYS  49           1HZ      LYS  49   7.743  -9.743  11.797
  387    HZ3  LYS  49           2HZ      LYS  49   7.137  -9.774  13.321
  388    H    ASP  50           H        ASP  50   7.408  -5.526   8.510
  389    HA   ASP  50           HA       ASP  50   6.327  -2.896   7.654
  390    HB2  ASP  50           1HB      ASP  50   6.478  -5.586   6.240
  391    HB3  ASP  50           2HB      ASP  50   5.937  -4.075   5.538
  392    H    TYR  51           H        TYR  51   4.106  -2.587   7.431
  393    HA   TYR  51           HA       TYR  51   2.208  -4.763   8.226
  394    HB2  TYR  51           1HB      TYR  51   2.350  -1.909   9.269
  395    HB3  TYR  51           2HB      TYR  51   1.107  -3.076   9.676
  396    HD1  TYR  51           2HD      TYR  51   4.685  -2.182  10.099
  397    HD2  TYR  51           1HD      TYR  51   1.450  -4.697  11.421
  398    HE1  TYR  51           2HE      TYR  51   5.985  -2.790  12.110
  399    HE2  TYR  51           1HE      TYR  51   2.741  -5.307  13.454
  400    HH   TYR  51           HH       TYR  51   4.693  -4.996  14.643
  401    H    GLY  52           H        GLY  52   0.076  -4.581   7.514
  402    HA2  GLY  52           1HA      GLY  52  -1.789  -3.718   6.438
  403    HA3  GLY  52           2HA      GLY  52  -0.946  -2.170   6.261
  404    H    LEU  53           H        LEU  53  -2.387  -2.521   4.266
  405    HA   LEU  53           HA       LEU  53  -1.698  -4.431   2.325
  406    HB2  LEU  53           1HB      LEU  53  -3.740  -2.524   2.746
  407    HB3  LEU  53           2HB      LEU  53  -2.890  -1.826   1.387
  408    HG   LEU  53           HG       LEU  53  -3.066  -4.355   0.432
  409   HD11  LEU  53          1HD1      LEU  53  -4.114  -5.173   2.508
  410   HD12  LEU  53          2HD1      LEU  53  -5.461  -4.034   2.272
  411   HD13  LEU  53          3HD1      LEU  53  -5.225  -5.333   1.123
  412   HD21  LEU  53          3HD2      LEU  53  -5.132  -3.760  -0.681
  413   HD22  LEU  53          1HD2      LEU  53  -5.402  -2.419   0.469
  414   HD23  LEU  53          2HD2      LEU  53  -4.026  -2.354  -0.650
  415    H    PHE  54           H        PHE  54   0.006  -1.581   2.883
  416    HA   PHE  54           HA       PHE  54   1.405  -1.822   0.243
  417    HB2  PHE  54           1HB      PHE  54   1.139   0.572   2.089
  418    HB3  PHE  54           2HB      PHE  54   2.039   0.542   0.587
  419    HD1  PHE  54           2HD      PHE  54  -1.388   0.346   2.028
  420    HD2  PHE  54           1HD      PHE  54   0.957   0.823  -1.552
  421    HE1  PHE  54           2HE      PHE  54  -3.432   0.982   0.789
  422    HE2  PHE  54           1HE      PHE  54  -1.089   1.507  -2.780
  423    HZ   PHE  54           HZ       PHE  54  -3.284   1.582  -1.624
  424    H    GLN  55           H        GLN  55   1.770  -3.225   3.020
  425    HA   GLN  55           HA       GLN  55   3.374  -3.754   4.522
  426    HB2  GLN  55           1HB      GLN  55   4.807  -3.869   1.851
  427    HB3  GLN  55           2HB      GLN  55   5.627  -4.367   3.330
  428    HG2  GLN  55           1HG      GLN  55   3.320  -5.659   1.937
  429    HG3  GLN  55           2HG      GLN  55   4.873  -6.333   2.348
  430   HE21  GLN  55          2HE2      GLN  55   1.602  -5.743   3.525
  431   HE22  GLN  55          1HE2      GLN  55   1.856  -6.447   5.118
  432    H    ILE  56           H        ILE  56   3.020  -1.450   5.283
  433    HA   ILE  56           HA       ILE  56   5.169   0.469   4.754
  434    HB   ILE  56           HB       ILE  56   2.825   0.762   6.685
  435   HG12  ILE  56          1HG1      ILE  56   3.018   1.310   3.680
  436   HG13  ILE  56          2HG1      ILE  56   1.908   0.164   4.460
  437   HG21  ILE  56          1HG2      ILE  56   4.725   2.369   6.843
  438   HG22  ILE  56          2HG2      ILE  56   4.430   2.840   5.154
  439   HG23  ILE  56          3HG2      ILE  56   3.197   3.117   6.413
  440   HD11  ILE  56          3HD1      ILE  56   0.551   1.970   3.890
  441   HD12  ILE  56          1HD1      ILE  56   0.870   2.229   5.618
  442   HD13  ILE  56          2HD1      ILE  56   1.759   3.157   4.377
  443    H    ASN  57           H        ASN  57   6.890   0.891   6.038
  444    HA   ASN  57           HA       ASN  57   7.353  -0.978   8.224
  445    HB2  ASN  57           1HB      ASN  57   8.946  -0.593   6.363
  446    HB3  ASN  57           2HB      ASN  57   9.212   1.050   6.973
  447   HD21  ASN  57          2HD2      ASN  57   9.824  -2.370   7.495
  448   HD22  ASN  57          1HD2      ASN  57  11.020  -2.135   8.776
  449    H    ASP  58           H        ASP  58   7.636  -0.582  10.300
  450    HA   ASP  58           HA       ASP  58   6.496   1.677  11.508
  451    HB2  ASP  58           1HB      ASP  58   6.878   0.679  13.543
  452    HB3  ASP  58           2HB      ASP  58   6.641  -0.653  12.423
  453    H    ARG  59           H        ARG  59   9.674   1.534  10.348
  454    HA   ARG  59           HA       ARG  59  10.930   3.208  12.379
  455    HB2  ARG  59           1HB      ARG  59  12.003   1.365  11.085
  456    HB3  ARG  59           2HB      ARG  59  11.902   2.357   9.626
  457    HG2  ARG  59           1HG      ARG  59  13.441   4.005  10.586
  458    HG3  ARG  59           2HG      ARG  59  13.389   3.164  12.146
  459    HD2  ARG  59           1HD      ARG  59  14.224   1.083  10.828
  460    HD3  ARG  59           2HD      ARG  59  14.584   2.210   9.520
  461    HE   ARG  59           HE       ARG  59  15.662   2.678  12.264
  462   HH11  ARG  59          1HH1      ARG  59  16.434   1.920   8.889
  463   HH12  ARG  59          2HH1      ARG  59  18.147   2.003   9.175
  464   HH21  ARG  59          1HH2      ARG  59  17.878   2.857  12.530
  465   HH22  ARG  59          2HH2      ARG  59  18.945   2.555  11.194
  466    H    TYR  60           H        TYR  60   9.061   3.863   9.532
  467    HA   TYR  60           HA       TYR  60  10.171   6.656   9.334
  468    HB2  TYR  60           1HB      TYR  60   9.413   4.717   7.120
  469    HB3  TYR  60           2HB      TYR  60   9.968   6.357   6.875
  470    HD1  TYR  60           1HD      TYR  60  12.339   6.887   8.129
  471    HD2  TYR  60           2HD      TYR  60  10.967   2.969   6.957
  472    HE1  TYR  60           1HE      TYR  60  14.689   6.090   8.052
  473    HE2  TYR  60           2HE      TYR  60  13.317   2.171   6.872
  474    HH   TYR  60           HH       TYR  60  16.094   4.327   7.601
  475    H    TRP  61           H        TRP  61   7.380   4.747   8.109
  476    HA   TRP  61           HA       TRP  61   5.891   7.277   7.753
  477    HB2  TRP  61           1HB      TRP  61   5.263   4.490   6.823
  478    HB3  TRP  61           2HB      TRP  61   4.601   5.967   6.173
  479    HD1  TRP  61           HD       TRP  61   7.038   3.415   5.466
  480    HE1  TRP  61           1HE      TRP  61   8.842   4.139   3.787
  481    HE3  TRP  61           3HE      TRP  61   6.092   8.452   5.366
  482    HZ2  TRP  61           2HZ      TRP  61   9.622   6.553   2.412
  483    HZ3  TRP  61           3HZ      TRP  61   7.273   9.910   3.760
  484    HH2  TRP  61           HH       TRP  61   9.058   8.984   2.291
  485    H    CYS  62           H        CYS  62   5.177   4.003   9.060
  486    HA   CYS  62           HA       CYS  62   3.081   5.155  10.834
  487    HB2  CYS  62           1HB      CYS  62   2.482   2.725  11.184
  488    HB3  CYS  62           2HB      CYS  62   2.173   3.366   9.590
  489    H    SER  63           H        SER  63   3.030   4.336  13.056
  490    HA   SER  63           HA       SER  63   5.739   3.973  14.275
  491    HB2  SER  63           1HB      SER  63   4.344   6.020  14.836
  492    HB3  SER  63           2HB      SER  63   3.157   4.934  15.565
  493    HG   SER  63           HG       SER  63   4.665   5.712  17.123
  494    H    LYS  64           H        LYS  64   6.199   2.263  15.574
  495    HA   LYS  64           HA       LYS  64   4.373  -0.002  15.771
  496    HB2  LYS  64           1HB      LYS  64   6.227  -1.056  17.008
  497    HB3  LYS  64           2HB      LYS  64   6.739  -0.441  15.456
  498    HG2  LYS  64           1HG      LYS  64   8.153   1.141  16.371
  499    HG3  LYS  64           2HG      LYS  64   7.100   1.472  17.735
  500    HD2  LYS  64           1HD      LYS  64   9.169   0.463  18.520
  501    HD3  LYS  64           2HD      LYS  64   7.772  -0.541  18.884
  502    HE2  LYS  64           1HE      LYS  64   9.493  -2.017  18.201
  503    HE3  LYS  64           2HE      LYS  64   8.315  -1.974  16.887
  504    HZ1  LYS  64           3HZ      LYS  64  10.624  -1.815  16.102
  505    HZ2  LYS  64           1HZ      LYS  64   9.788  -0.479  15.676
  506    HZ3  LYS  64           2HZ      LYS  64  10.851  -0.422  16.928
  507    H    GLY  65           H        GLY  65   4.642   2.766  17.706
  508    HA2  GLY  65           1HA      GLY  65   4.526   1.566  20.339
  509    HA3  GLY  65           2HA      GLY  65   4.259   3.274  19.940
  510    H    ALA  66           H        ALA  66   2.693   2.909  21.780
  511    HA   ALA  66           HA       ALA  66   0.165   1.571  21.150
  512    HB1  ALA  66           1HB      ALA  66   1.078   1.657  23.441
  513    HB2  ALA  66           2HB      ALA  66   0.931   3.435  23.437
  514    HB3  ALA  66           3HB      ALA  66  -0.522   2.416  23.341
  515    H    SER  67           H        SER  67   1.443   4.544  20.205
  516    HA   SER  67           HA       SER  67  -1.214   5.667  19.473
  517    HB2  SER  67           1HB      SER  67   1.051   7.148  20.867
  518    HB3  SER  67           2HB      SER  67  -0.345   7.932  20.115
  519    HG   SER  67           HG       SER  67  -0.625   7.607  22.390
  520    HA   PRO  68           HA       PRO  68   0.972   6.486  15.606
  521    HB2  PRO  68           1HB      PRO  68  -0.470   8.555  14.564
  522    HB3  PRO  68           2HB      PRO  68  -1.133   6.893  14.701
  523    HG2  PRO  68           1HG      PRO  68  -1.542   9.213  16.610
  524    HG3  PRO  68           2HG      PRO  68  -2.787   8.149  15.877
  525    HD2  PRO  68           1HD      PRO  68  -1.807   7.688  18.365
  526    HD3  PRO  68           2HD      PRO  68  -2.184   6.333  17.260
  527    H    GLY  69           H        GLY  69   2.445   8.060  14.664
  528    HA2  GLY  69           1HA      GLY  69   3.059  10.626  15.525
  529    HA3  GLY  69           2HA      GLY  69   3.793   9.612  16.757
  530    H    LYS  70           H        LYS  70   3.550   9.159  13.239
  531    HA   LYS  70           HA       LYS  70   6.478   9.523  12.848
  532    HB2  LYS  70           1HB      LYS  70   4.789   7.092  12.209
  533    HB3  LYS  70           2HB      LYS  70   6.168   7.463  11.189
  534    HG2  LYS  70           1HG      LYS  70   6.506   7.308  14.207
  535    HG3  LYS  70           2HG      LYS  70   6.511   5.865  13.217
  536    HD2  LYS  70           1HD      LYS  70   8.356   6.693  11.865
  537    HD3  LYS  70           2HD      LYS  70   8.390   8.208  12.800
  538    HE2  LYS  70           1HE      LYS  70   8.811   6.841  14.876
  539    HE3  LYS  70           2HE      LYS  70   8.895   5.389  13.867
  540    HZ1  LYS  70           3HZ      LYS  70  11.101   6.294  14.318
  541    HZ2  LYS  70           1HZ      LYS  70  10.802   6.387  12.712
  542    HZ3  LYS  70           2HZ      LYS  70  10.714   7.731  13.648
  543    H    ASP  71           H        ASP  71   6.650   9.241  10.111
  544    HA   ASP  71           HA       ASP  71   5.969  11.846   9.395
  545    HB2  ASP  71           1HB      ASP  71   7.769  10.473   8.403
  546    HB3  ASP  71           2HB      ASP  71   6.561   9.518   7.538
  547    H    CYS  72           H        CYS  72   3.945   9.003   8.931
  548    HA   CYS  72           HA       CYS  72   1.954  10.598   7.363
  549    HB2  CYS  72           1HB      CYS  72   2.223   7.616   7.744
  550    HB3  CYS  72           2HB      CYS  72   1.052   8.444   6.717
  551    H    ASN  73           H        ASN  73   2.467  10.225  10.532
  552    HA   ASN  73           HA       ASN  73   1.231  10.314  12.401
  553    HB2  ASN  73           1HB      ASN  73   0.671  12.416  11.163
  554    HB3  ASN  73           2HB      ASN  73  -0.799  11.643  10.565
  555   HD21  ASN  73          2HD2      ASN  73  -2.115  13.260  11.640
  556   HD22  ASN  73          1HD2      ASN  73  -2.314  13.229  13.383
  557    H    VAL  74           H        VAL  74   1.149   7.827  11.632
  558    HA   VAL  74           HA       VAL  74  -1.501   6.790  12.375
  559    HB   VAL  74           HB       VAL  74  -1.526   7.106   9.910
  560   HG11  VAL  74          1HG1      VAL  74   0.876   6.682   9.432
  561   HG12  VAL  74          2HG1      VAL  74   0.636   4.966   9.822
  562   HG13  VAL  74          3HG1      VAL  74  -0.201   5.684   8.438
  563   HG21  VAL  74          3HG2      VAL  74  -2.480   4.979   9.362
  564   HG22  VAL  74          1HG2      VAL  74  -1.610   4.173  10.680
  565   HG23  VAL  74          2HG2      VAL  74  -2.884   5.360  11.046
  566    H    LYS  75           H        LYS  75  -1.485   4.620  13.016
  567    HA   LYS  75           HA       LYS  75   1.106   3.691  14.151
  568    HB2  LYS  75           1HB      LYS  75  -0.932   4.475  15.481
  569    HB3  LYS  75           2HB      LYS  75  -1.736   2.994  14.958
  570    HG2  LYS  75           1HG      LYS  75   0.075   1.669  16.111
  571    HG3  LYS  75           2HG      LYS  75   0.862   3.195  16.547
  572    HD2  LYS  75           1HD      LYS  75  -0.355   2.624  18.463
  573    HD3  LYS  75           2HD      LYS  75  -1.338   3.862  17.689
  574    HE2  LYS  75           1HE      LYS  75  -2.659   1.868  16.661
  575    HE3  LYS  75           2HE      LYS  75  -1.770   0.858  17.818
  576    HZ1  LYS  75           3HZ      LYS  75  -3.843   1.516  18.794
  577    HZ2  LYS  75           1HZ      LYS  75  -2.676   2.353  19.591
  578    HZ3  LYS  75           2HZ      LYS  75  -3.605   3.093  18.465
  579    H    CYS  76           H        CYS  76   1.902   1.672  13.679
  580    HA   CYS  76           HA       CYS  76   1.307   0.228  11.374
  581    HB2  CYS  76           1HB      CYS  76   2.459  -0.797  14.003
  582    HB3  CYS  76           2HB      CYS  76   2.617  -1.580  12.436
  583    H    SER  77           H        SER  77  -0.103  -0.366  14.619
  584    HA   SER  77           HA       SER  77  -1.463  -2.806  13.879
  585    HB2  SER  77           1HB      SER  77  -0.820  -2.057  16.201
  586    HB3  SER  77           2HB      SER  77  -2.168  -0.905  16.137
  587    HG   SER  77           HG       SER  77  -2.728  -2.930  17.140
  588    H    ASP  78           H        ASP  78  -2.459   0.637  13.631
  589    HA   ASP  78           HA       ASP  78  -5.244   0.004  13.037
  590    HB2  ASP  78           1HB      ASP  78  -3.563   2.515  12.801
  591    HB3  ASP  78           2HB      ASP  78  -5.198   2.425  12.165
  592    H    LEU  79           H        LEU  79  -2.333  -0.215  11.202
  593    HA   LEU  79           HA       LEU  79  -3.606   0.019   8.574
  594    HB2  LEU  79           1HB      LEU  79  -0.967  -1.355   9.200
  595    HB3  LEU  79           2HB      LEU  79  -1.539  -0.701   7.674
  596    HG   LEU  79           HG       LEU  79  -0.639   0.893  10.096
  597   HD11  LEU  79          1HD1      LEU  79   1.173  -0.057   8.777
  598   HD12  LEU  79          2HD1      LEU  79   0.443   0.530   7.271
  599   HD13  LEU  79          3HD1      LEU  79   1.082   1.682   8.457
  600   HD21  LEU  79          3HD2      LEU  79  -0.961   2.900   8.623
  601   HD22  LEU  79          1HD2      LEU  79  -1.815   1.859   7.469
  602   HD23  LEU  79          2HD2      LEU  79  -2.485   2.134   9.092
  603    H    LEU  80           H        LEU  80  -3.610  -2.395  10.987
  604    HA   LEU  80           HA       LEU  80  -3.992  -4.640   9.107
  605    HB2  LEU  80           1HB      LEU  80  -3.915  -4.684  12.132
  606    HB3  LEU  80           2HB      LEU  80  -3.803  -6.062  11.045
  607    HG   LEU  80           HG       LEU  80  -1.730  -3.858  11.355
  608   HD11  LEU  80          1HD1      LEU  80  -1.891  -5.406  13.279
  609   HD12  LEU  80          2HD1      LEU  80  -1.692  -6.792  12.183
  610   HD13  LEU  80          3HD1      LEU  80  -0.370  -5.629  12.404
  611   HD21  LEU  80          3HD2      LEU  80  -0.253  -5.309   9.963
  612   HD22  LEU  80          1HD2      LEU  80  -1.644  -6.349   9.611
  613   HD23  LEU  80          2HD2      LEU  80  -1.620  -4.651   9.068
  614    H    THR  81           H        THR  81  -6.004  -2.337   9.932
  615    HA   THR  81           HA       THR  81  -8.308  -3.753  11.026
  616    HB   THR  81           HB       THR  81  -9.483  -1.590  10.631
  617    HG1  THR  81           1HG      THR  81  -7.049  -0.375  10.032
  618   HG21  THR  81          3HG2      THR  81  -8.175  -0.264  12.257
  619   HG22  THR  81          1HG2      THR  81  -8.386  -1.948  12.762
  620   HG23  THR  81          2HG2      THR  81  -6.827  -1.414  12.110
  621    H    ASP  82           H        ASP  82 -10.481  -3.192   9.820
  622    HA   ASP  82           HA       ASP  82 -10.356  -4.843   7.378
  623    HB2  ASP  82           1HB      ASP  82 -12.750  -3.937   9.018
  624    HB3  ASP  82           2HB      ASP  82 -12.737  -5.183   7.770
  625    H    ASP  83           H        ASP  83  -9.898  -1.773   7.593
  626    HA   ASP  83           HA       ASP  83 -11.055  -1.250   4.926
  627    HB2  ASP  83           1HB      ASP  83 -12.494  -0.047   6.594
  628    HB3  ASP  83           2HB      ASP  83 -11.078   0.870   7.109
  629    H    ILE  84           H        ILE  84  -9.492  -0.703   3.597
  630    HA   ILE  84           HA       ILE  84  -6.753  -0.751   4.456
  631    HB   ILE  84           HB       ILE  84  -6.196  -0.680   2.147
  632   HG12  ILE  84          1HG1      ILE  84  -9.022   0.313   1.553
  633   HG13  ILE  84          2HG1      ILE  84  -7.560   1.298   1.546
  634   HG21  ILE  84          1HG2      ILE  84  -7.484  -2.722   2.990
  635   HG22  ILE  84          2HG2      ILE  84  -8.920  -2.061   2.213
  636   HG23  ILE  84          3HG2      ILE  84  -7.516  -2.508   1.239
  637   HD11  ILE  84          3HD1      ILE  84  -8.169   0.770  -0.699
  638   HD12  ILE  84          1HD1      ILE  84  -6.613  -0.003  -0.283
  639   HD13  ILE  84          2HD1      ILE  84  -8.113  -0.970  -0.370
  640    H    THR  85           H        THR  85  -8.909   1.870   4.368
  641    HA   THR  85           HA       THR  85  -7.521   3.979   3.236
  642    HB   THR  85           HB       THR  85  -9.847   3.985   3.871
  643    HG1  THR  85           1HG      THR  85  -9.883   6.135   4.362
  644   HG21  THR  85          3HG2      THR  85 -10.605   4.533   6.090
  645   HG22  THR  85          1HG2      THR  85  -9.600   3.083   6.217
  646   HG23  THR  85          2HG2      THR  85  -8.940   4.662   6.698
  647    H    LYS  86           H        LYS  86  -7.024   2.795   6.553
  648    HA   LYS  86           HA       LYS  86  -5.324   4.936   7.417
  649    HB2  LYS  86           1HB      LYS  86  -5.261   1.995   8.225
  650    HB3  LYS  86           2HB      LYS  86  -4.562   3.325   9.133
  651    HG2  LYS  86           1HG      LYS  86  -7.524   2.818   8.630
  652    HG3  LYS  86           2HG      LYS  86  -6.659   2.574  10.135
  653    HD2  LYS  86           1HD      LYS  86  -7.197   5.261   8.807
  654    HD3  LYS  86           2HD      LYS  86  -8.016   4.584  10.219
  655    HE2  LYS  86           1HE      LYS  86  -5.846   4.558  11.459
  656    HE3  LYS  86           2HE      LYS  86  -5.058   5.323  10.072
  657    HZ1  LYS  86           3HZ      LYS  86  -5.716   6.965  11.736
  658    HZ2  LYS  86           1HZ      LYS  86  -6.562   7.225  10.362
  659    HZ3  LYS  86           2HZ      LYS  86  -7.282   6.512  11.646
  660    H    ALA  87           H        ALA  87  -4.651   2.103   5.437
  661    HA   ALA  87           HA       ALA  87  -1.728   2.626   5.376
  662    HB1  ALA  87           1HB      ALA  87  -2.730   0.287   5.561
  663    HB2  ALA  87           2HB      ALA  87  -3.360   0.499   3.909
  664    HB3  ALA  87           3HB      ALA  87  -1.606   0.525   4.218
  665    H    ALA  88           H        ALA  88  -4.589   2.767   3.231
  666    HA   ALA  88           HA       ALA  88  -3.202   3.476   0.867
  667    HB1  ALA  88           1HB      ALA  88  -5.537   2.566   1.055
  668    HB2  ALA  88           2HB      ALA  88  -6.073   4.163   1.641
  669    HB3  ALA  88           3HB      ALA  88  -5.401   3.983   0.014
  670    H    LYS  89           H        LYS  89  -4.692   5.690   3.317
  671    HA   LYS  89           HA       LYS  89  -3.930   8.098   1.896
  672    HB2  LYS  89           1HB      LYS  89  -4.613   7.497   4.794
  673    HB3  LYS  89           2HB      LYS  89  -4.294   9.131   4.185
  674    HG2  LYS  89           1HG      LYS  89  -6.143   8.973   2.591
  675    HG3  LYS  89           2HG      LYS  89  -6.477   7.302   3.078
  676    HD2  LYS  89           1HD      LYS  89  -7.056   8.021   5.341
  677    HD3  LYS  89           2HD      LYS  89  -6.638   9.707   4.947
  678    HE2  LYS  89           1HE      LYS  89  -8.399   9.765   3.219
  679    HE3  LYS  89           2HE      LYS  89  -8.781   8.067   3.524
  680    HZ1  LYS  89           3HZ      LYS  89 -10.318   9.541   4.681
  681    HZ2  LYS  89           1HZ      LYS  89  -9.455   8.687   5.776
  682    HZ3  LYS  89           2HZ      LYS  89  -9.101  10.261   5.499
  683    H    CYS  90           H        CYS  90  -2.223   6.066   4.215
  684    HA   CYS  90           HA       CYS  90   0.104   7.802   4.526
  685    HB2  CYS  90           1HB      CYS  90  -0.486   6.219   6.211
  686    HB3  CYS  90           2HB      CYS  90  -0.455   4.868   5.073
  687    H    ALA  91           H        ALA  91  -0.735   5.107   2.304
  688    HA   ALA  91           HA       ALA  91   1.676   5.121   0.811
  689    HB1  ALA  91           1HB      ALA  91  -0.105   3.382   0.749
  690    HB2  ALA  91           2HB      ALA  91  -1.143   4.499  -0.151
  691    HB3  ALA  91           3HB      ALA  91   0.378   3.944  -0.868
  692    H    LYS  92           H        LYS  92  -1.283   7.234   0.334
  693    HA   LYS  92           HA       LYS  92  -0.163   8.642  -1.879
  694    HB2  LYS  92           1HB      LYS  92  -1.905   9.921   0.249
  695    HB3  LYS  92           2HB      LYS  92  -1.704  10.408  -1.425
  696    HG2  LYS  92           1HG      LYS  92  -3.216   8.036  -0.333
  697    HG3  LYS  92           2HG      LYS  92  -3.851   9.417  -1.156
  698    HD2  LYS  92           1HD      LYS  92  -2.263   7.122  -2.347
  699    HD3  LYS  92           2HD      LYS  92  -3.953   7.500  -2.602
  700    HE2  LYS  92           1HE      LYS  92  -1.602   9.202  -3.562
  701    HE3  LYS  92           2HE      LYS  92  -2.539   8.084  -4.554
  702    HZ1  LYS  92           3HZ      LYS  92  -3.309  10.363  -4.823
  703    HZ2  LYS  92           1HZ      LYS  92  -4.506   9.463  -4.176
  704    HZ3  LYS  92           2HZ      LYS  92  -3.658  10.498  -3.233
  705    H    LYS  93           H        LYS  93   0.238   9.269   1.633
  706    HA   LYS  93           HA       LYS  93   1.881  11.599   1.324
  707    HB2  LYS  93           1HB      LYS  93   0.643  11.006   3.373
  708    HB3  LYS  93           2HB      LYS  93   1.671   9.600   3.604
  709    HG2  LYS  93           1HG      LYS  93   2.286  11.403   5.111
  710    HG3  LYS  93           2HG      LYS  93   3.621  11.025   4.026
  711    HD2  LYS  93           1HD      LYS  93   3.144  13.038   2.683
  712    HD3  LYS  93           2HD      LYS  93   1.668  13.331   3.616
  713    HE2  LYS  93           1HE      LYS  93   3.309  14.841   4.450
  714    HE3  LYS  93           2HE      LYS  93   3.076  13.599   5.685
  715    HZ1  LYS  93           3HZ      LYS  93   5.426  14.113   5.289
  716    HZ2  LYS  93           1HZ      LYS  93   5.134  12.551   4.966
  717    HZ3  LYS  93           2HZ      LYS  93   5.316  13.621   3.733
  718    H    ILE  94           H        ILE  94   2.723   8.194   1.096
  719    HA   ILE  94           HA       ILE  94   5.627   8.715   0.930
  720    HB   ILE  94           HB       ILE  94   3.946   6.288   0.176
  721   HG12  ILE  94          1HG1      ILE  94   5.888   6.613   2.479
  722   HG13  ILE  94          2HG1      ILE  94   4.186   6.968   2.677
  723   HG21  ILE  94          1HG2      ILE  94   5.969   6.333  -1.192
  724   HG22  ILE  94          2HG2      ILE  94   6.963   6.738   0.220
  725   HG23  ILE  94          3HG2      ILE  94   6.196   5.136   0.079
  726   HD11  ILE  94          3HD1      ILE  94   4.591   4.746   3.487
  727   HD12  ILE  94          1HD1      ILE  94   3.617   4.630   2.014
  728   HD13  ILE  94          2HD1      ILE  94   5.356   4.252   1.970
  729    H    TYR  95           H        TYR  95   3.026   8.050  -1.471
  730    HA   TYR  95           HA       TYR  95   4.586   8.258  -3.780
  731    HB2  TYR  95           1HB      TYR  95   2.602   7.352  -4.231
  732    HB3  TYR  95           2HB      TYR  95   1.719   8.336  -3.082
  733    HD1  TYR  95           2HD      TYR  95   1.141  10.762  -3.683
  734    HD2  TYR  95           1HD      TYR  95   2.345   7.781  -6.556
  735    HE1  TYR  95           2HE      TYR  95   0.093  12.093  -5.504
  736    HE2  TYR  95           1HE      TYR  95   1.317   9.113  -8.379
  737    HH   TYR  95           HH       TYR  95   0.157  11.027  -8.932
  738    H    LYS  96           H        LYS  96   3.375  10.869  -1.822
  739    HA   LYS  96           HA       LYS  96   3.899  13.133  -3.458
  740    HB2  LYS  96           1HB      LYS  96   3.967  12.502  -0.494
  741    HB3  LYS  96           2HB      LYS  96   4.374  14.120  -1.039
  742    HG2  LYS  96           1HG      LYS  96   1.731  12.785  -1.753
  743    HG3  LYS  96           2HG      LYS  96   1.972  13.774  -0.308
  744    HD2  LYS  96           1HD      LYS  96   2.616  15.704  -1.734
  745    HD3  LYS  96           2HD      LYS  96   2.333  14.722  -3.188
  746    HE2  LYS  96           1HE      LYS  96  -0.031  14.382  -2.501
  747    HE3  LYS  96           2HE      LYS  96   0.246  15.353  -1.050
  748    HZ1  LYS  96           3HZ      LYS  96  -0.757  16.673  -2.815
  749    HZ2  LYS  96           1HZ      LYS  96   0.734  17.253  -2.490
  750    HZ3  LYS  96           2HZ      LYS  96   0.478  16.357  -3.835
  751    H    ARG  97           H        ARG  97   6.241  10.931  -2.162
  752    HA   ARG  97           HA       ARG  97   8.450  12.723  -3.107
  753    HB2  ARG  97           1HB      ARG  97   8.463  10.890  -0.672
  754    HB3  ARG  97           2HB      ARG  97   9.876  11.717  -1.317
  755    HG2  ARG  97           1HG      ARG  97   7.387  13.079  -0.190
  756    HG3  ARG  97           2HG      ARG  97   8.910  12.840   0.662
  757    HD2  ARG  97           1HD      ARG  97  10.098  14.249  -0.954
  758    HD3  ARG  97           2HD      ARG  97   8.630  14.480  -1.899
  759    HE   ARG  97           HE       ARG  97   9.227  15.573   0.793
  760   HH11  ARG  97          1HH1      ARG  97   6.876  15.466  -1.875
  761   HH12  ARG  97          2HH1      ARG  97   6.077  16.910  -1.321
  762   HH21  ARG  97          1HH2      ARG  97   8.123  17.406   1.436
  763   HH22  ARG  97          2HH2      ARG  97   6.747  17.964   0.537
  764    H    HIS  98           H        HIS  98   7.243   9.425  -2.764
  765    HA   HIS  98           HA       HIS  98   9.052   8.503  -4.964
  766    HB2  HIS  98           1HB      HIS  98   8.477   7.095  -2.328
  767    HB3  HIS  98           2HB      HIS  98   9.409   6.427  -3.670
  768    HD2  HIS  98           2HD      HIS  98   9.757   8.506  -0.570
  769    HE1  HIS  98           1HE      HIS  98  13.487   8.895  -2.586
  770    HE2  HIS  98           2HE      HIS  98  12.251   9.334  -0.401
  771    H    ARG  99           H        ARG  99   7.173   8.807  -6.317
  772    HA   ARG  99           HA       ARG  99   4.635   8.068  -5.894
  773    HB2  ARG  99           1HB      ARG  99   4.168   8.149  -8.178
  774    HB3  ARG  99           2HB      ARG  99   5.364   9.372  -7.806
  775    HG2  ARG  99           1HG      ARG  99   5.884   6.719  -9.227
  776    HG3  ARG  99           2HG      ARG  99   5.631   8.272  -9.999
  777    HD2  ARG  99           1HD      ARG  99   7.680   9.137  -8.785
  778    HD3  ARG  99           2HD      ARG  99   8.029   7.477  -8.301
  779    HE   ARG  99           HE       ARG  99   8.375   8.705 -10.907
  780   HH11  ARG  99          1HH1      ARG  99   7.922   5.501  -9.451
  781   HH12  ARG  99          2HH1      ARG  99   8.608   4.698 -10.826
  782   HH21  ARG  99          1HH2      ARG  99   9.253   7.601 -12.611
  783   HH22  ARG  99          2HH2      ARG  99   9.364   5.870 -12.579
  784    H    PHE 100           H        PHE 100   6.980   5.758  -7.157
  785    HA   PHE 100           HA       PHE 100   5.335   3.540  -6.082
  786    HB2  PHE 100           1HB      PHE 100   6.560   3.442  -8.857
  787    HB3  PHE 100           2HB      PHE 100   5.671   2.175  -8.026
  788    HD1  PHE 100           1HD      PHE 100   3.215   2.829  -7.230
  789    HD2  PHE 100           2HD      PHE 100   5.365   4.685 -10.474
  790    HE1  PHE 100           1HE      PHE 100   1.083   3.580  -8.211
  791    HE2  PHE 100           2HE      PHE 100   3.220   5.480 -11.433
  792    HZ   PHE 100           HZ       PHE 100   1.072   4.920 -10.305
  793    H    ASP 101           H        ASP 101   8.364   5.055  -6.293
  794    HA   ASP 101           HA       ASP 101  10.050   2.725  -6.559
  795    HB2  ASP 101           1HB      ASP 101  10.576   4.978  -7.449
  796    HB3  ASP 101           2HB      ASP 101  10.715   5.591  -5.799
  797    H    ALA 102           H        ALA 102   8.495   4.059  -3.816
  798    HA   ALA 102           HA       ALA 102  10.405   3.156  -1.800
  799    HB1  ALA 102           1HB      ALA 102   8.844   4.992  -1.347
  800    HB2  ALA 102           2HB      ALA 102   7.456   3.916  -1.637
  801    HB3  ALA 102           3HB      ALA 102   8.527   3.642  -0.249
  802    H    TRP 103           H        TRP 103   8.473   1.438  -3.926
  803    HA   TRP 103           HA       TRP 103   8.316  -0.969  -2.151
  804    HB2  TRP 103           1HB      TRP 103   6.361   0.008  -4.274
  805    HB3  TRP 103           2HB      TRP 103   6.223  -1.498  -3.382
  806    HD1  TRP 103           HD       TRP 103   5.639  -1.329  -0.761
  807    HE1  TRP 103           1HE      TRP 103   4.230   0.340   0.528
  808    HE3  TRP 103           3HE      TRP 103   5.919   2.602  -4.013
  809    HZ2  TRP 103           2HZ      TRP 103   3.135   3.014   0.092
  810    HZ3  TRP 103           3HZ      TRP 103   4.667   4.690  -3.577
  811    HH2  TRP 103           HH       TRP 103   3.217   4.886  -1.564
  812    H    TYR 104           H        TYR 104   8.639  -2.926  -2.987
  813    HA   TYR 104           HA       TYR 104  10.429  -2.993  -5.352
  814    HB2  TYR 104           1HB      TYR 104  11.069  -3.879  -3.058
  815    HB3  TYR 104           2HB      TYR 104   9.856  -5.138  -3.273
  816    HD1  TYR 104           1HD      TYR 104  12.842  -3.574  -4.848
  817    HD2  TYR 104           2HD      TYR 104  10.458  -7.128  -4.452
  818    HE1  TYR 104           1HE      TYR 104  14.553  -4.853  -6.161
  819    HE2  TYR 104           2HE      TYR 104  12.165  -8.430  -5.736
  820    HH   TYR 104           HH       TYR 104  15.147  -6.903  -7.030
  821    H    GLY 105           H        GLY 105   7.349  -4.261  -4.185
  822    HA2  GLY 105           1HA      GLY 105   6.801  -6.187  -6.201
  823    HA3  GLY 105           2HA      GLY 105   5.590  -5.303  -5.238
  824    H    TRP 106           H        TRP 106   6.803  -2.709  -6.458
  825    HA   TRP 106           HA       TRP 106   5.301  -2.712  -8.990
  826    HB2  TRP 106           1HB      TRP 106   5.152  -0.776  -7.531
  827    HB3  TRP 106           2HB      TRP 106   6.887  -0.518  -7.616
  828    HD1  TRP 106           HD       TRP 106   3.739  -0.404  -9.812
  829    HE1  TRP 106           1HE      TRP 106   4.162   1.056 -11.888
  830    HE3  TRP 106           3HE      TRP 106   8.648   0.768  -8.995
  831    HZ2  TRP 106           2HZ      TRP 106   6.364   2.495 -13.069
  832    HZ3  TRP 106           3HZ      TRP 106   9.899   2.162 -10.619
  833    HH2  TRP 106           HH       TRP 106   8.775   3.012 -12.675
  834    H    LYS 107           H        LYS 107   8.684  -1.662  -8.250
  835    HA   LYS 107           HA       LYS 107   9.387  -1.755 -10.977
  836    HB2  LYS 107           1HB      LYS 107  11.766  -1.476 -10.137
  837    HB3  LYS 107           2HB      LYS 107  10.579  -0.268  -9.698
  838    HG2  LYS 107           1HG      LYS 107  10.349  -1.318  -7.442
  839    HG3  LYS 107           2HG      LYS 107  11.636  -2.462  -7.863
  840    HD2  LYS 107           1HD      LYS 107  13.240  -0.644  -8.082
  841    HD3  LYS 107           2HD      LYS 107  11.948   0.572  -8.001
  842    HE2  LYS 107           1HE      LYS 107  11.407  -0.156  -5.686
  843    HE3  LYS 107           2HE      LYS 107  12.771  -1.286  -5.728
  844    HZ1  LYS 107           3HZ      LYS 107  13.294   0.896  -4.694
  845    HZ2  LYS 107           1HZ      LYS 107  14.255   0.599  -5.992
  846    HZ3  LYS 107           2HZ      LYS 107  13.006   1.652  -6.115
  847    H    ASN 108           H        ASN 108   9.499  -4.471  -8.766
  848    HA   ASN 108           HA       ASN 108  11.275  -6.010 -10.494
  849    HB2  ASN 108           1HB      ASN 108  11.104  -6.214  -7.988
  850    HB3  ASN 108           2HB      ASN 108   9.522  -6.963  -8.208
  851   HD21  ASN 108          2HD2      ASN 108   9.901  -9.110  -7.634
  852   HD22  ASN 108          1HD2      ASN 108  11.167 -10.098  -8.342
  853    H    HIS 109           H        HIS 109   7.973  -5.242 -10.826
  854    HA   HIS 109           HA       HIS 109   7.496  -7.595 -12.640
  855    HB2  HIS 109           1HB      HIS 109   5.620  -6.505 -10.505
  856    HB3  HIS 109           2HB      HIS 109   5.198  -7.719 -11.709
  857    HD2  HIS 109           2HD      HIS 109   6.753  -7.357  -8.311
  858    HE1  HIS 109           1HE      HIS 109   7.263 -11.444  -9.382
  859    HE2  HIS 109           2HE      HIS 109   7.376  -9.773  -7.465
  860    H    CYS 110           H        CYS 110   6.329  -4.329 -11.737
  861    HA   CYS 110           HA       CYS 110   4.464  -4.057 -13.876
  862    HB2  CYS 110           1HB      CYS 110   5.851  -1.982 -12.132
  863    HB3  CYS 110           2HB      CYS 110   4.441  -1.676 -13.130
  864    H    GLN 111           H        GLN 111   7.902  -3.559 -13.898
  865    HA   GLN 111           HA       GLN 111   7.920  -1.927 -16.349
  866    HB2  GLN 111           1HB      GLN 111  10.143  -3.386 -14.863
  867    HB3  GLN 111           2HB      GLN 111  10.366  -2.316 -16.252
  868    HG2  GLN 111           1HG      GLN 111   9.329  -0.437 -14.954
  869    HG3  GLN 111           2HG      GLN 111   9.240  -1.490 -13.537
  870   HE21  GLN 111          2HE2      GLN 111  11.413  -2.476 -12.791
  871   HE22  GLN 111          1HE2      GLN 111  12.822  -1.437 -12.985
  872    H    GLY 112           H        GLY 112   7.538  -5.289 -15.643
  873    HA2  GLY 112           1HA      GLY 112   8.314  -6.186 -18.378
  874    HA3  GLY 112           2HA      GLY 112   7.824  -7.201 -16.998
  875    H    SER 113           H        SER 113   5.448  -6.246 -16.170
  876    HA   SER 113           HA       SER 113   3.575  -5.661 -18.317
  877    HB2  SER 113           1HB      SER 113   4.140  -8.100 -18.724
  878    HB3  SER 113           2HB      SER 113   3.451  -8.459 -17.134
  879    HG   SER 113           HG       SER 113   1.934  -8.702 -18.885
  880    H    LEU 114           H        LEU 114   1.416  -5.318 -17.569
  881    HA   LEU 114           HA       LEU 114   1.010  -5.301 -14.616
  882    HB2  LEU 114           1HB      LEU 114   0.104  -3.392 -16.810
  883    HB3  LEU 114           2HB      LEU 114  -0.610  -3.386 -15.204
  884    HG   LEU 114           HG       LEU 114   2.374  -2.966 -15.693
  885   HD11  LEU 114          1HD1      LEU 114   0.996  -1.206 -16.766
  886   HD12  LEU 114          2HD1      LEU 114   0.197  -0.903 -15.198
  887   HD13  LEU 114          3HD1      LEU 114   1.936  -0.595 -15.388
  888   HD21  LEU 114          3HD2      LEU 114   2.191  -1.930 -13.380
  889   HD22  LEU 114          1HD2      LEU 114   0.549  -2.575 -13.271
  890   HD23  LEU 114          2HD2      LEU 114   1.932  -3.683 -13.408
  891    HA   PRO 115           HA       PRO 115  -2.717  -7.707 -15.375
  892    HB2  PRO 115           1HB      PRO 115  -4.228  -7.042 -13.223
  893    HB3  PRO 115           2HB      PRO 115  -2.744  -8.039 -13.067
  894    HG2  PRO 115           1HG      PRO 115  -3.058  -5.056 -12.601
  895    HG3  PRO 115           2HG      PRO 115  -2.253  -6.263 -11.545
  896    HD2  PRO 115           1HD      PRO 115  -0.876  -4.699 -13.317
  897    HD3  PRO 115           2HD      PRO 115  -0.375  -6.380 -12.964
  898    H    ASP 116           H        ASP 116  -4.882  -7.388 -16.094
  899    HA   ASP 116           HA       ASP 116  -5.566  -4.666 -16.993
  900    HB2  ASP 116           1HB      ASP 116  -5.812  -6.551 -18.537
  901    HB3  ASP 116           2HB      ASP 116  -6.941  -7.335 -17.425
  902    H    ILE 117           H        ILE 117  -7.417  -3.640 -16.523
  903    HA   ILE 117           HA       ILE 117  -9.029  -4.356 -14.104
  904    HB   ILE 117           HB       ILE 117  -8.899  -2.025 -13.343
  905   HG12  ILE 117          1HG1      ILE 117  -6.758  -1.594 -15.483
  906   HG13  ILE 117          2HG1      ILE 117  -8.424  -1.043 -15.638
  907   HG21  ILE 117          1HG2      ILE 117  -7.319  -3.749 -12.454
  908   HG22  ILE 117          2HG2      ILE 117  -6.094  -3.192 -13.612
  909   HG23  ILE 117          3HG2      ILE 117  -6.692  -2.101 -12.348
  910   HD11  ILE 117          3HD1      ILE 117  -7.070   0.779 -14.923
  911   HD12  ILE 117          1HD1      ILE 117  -8.173   0.325 -13.603
  912   HD13  ILE 117          2HD1      ILE 117  -6.452  -0.151 -13.541
  913    H    SER 118           H        SER 118  -9.125  -3.653 -17.337
  914    HA   SER 118           HA       SER 118 -11.085  -1.650 -17.600
  915    HB2  SER 118           1HB      SER 118 -10.609  -3.972 -19.502
  916    HB3  SER 118           2HB      SER 118 -11.325  -2.403 -19.889
  917    HG   SER 118           HG       SER 118  -8.636  -3.052 -19.262
  918    H    SER 119           H        SER 119 -11.672  -4.831 -16.447
  919    HA   SER 119           HA       SER 119 -14.547  -4.883 -17.131
  920    HB2  SER 119           1HB      SER 119 -14.427  -7.014 -15.812
  921    HB3  SER 119           2HB      SER 119 -13.376  -6.963 -17.238
  922    HG   SER 119           HG       SER 119 -12.295  -7.806 -15.370
  923    H    CYS 120           H        CYS 120 -12.640  -3.430 -14.723
  924    HA   CYS 120           HA       CYS 120 -14.501  -3.801 -12.479
  925    HB2  CYS 120           1HB      CYS 120 -11.947  -2.189 -12.679
  926    HB3  CYS 120           2HB      CYS 120 -12.789  -2.645 -11.202
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  -9.428  -7.642  10.196
    2    H2   GLY   1           2H       GLY   1  -8.336  -8.840  10.470
    3    H3   GLY   1           3H       GLY   1  -7.932  -7.277  10.788
    4    HA2  GLY   1           1HA      GLY   1  -8.110  -6.703   8.470
    5    HA3  GLY   1           2HA      GLY   1  -6.883  -7.943   8.752
    6    H    LYS   2           H        LYS   2  -7.898  -7.627   6.270
    7    HA   LYS   2           HA       LYS   2  -9.457 -10.051   5.681
    8    HB2  LYS   2           1HB      LYS   2 -11.270  -8.862   4.592
    9    HB3  LYS   2           2HB      LYS   2 -11.170  -8.349   6.275
   10    HG2  LYS   2           1HG      LYS   2  -9.953  -6.285   5.580
   11    HG3  LYS   2           2HG      LYS   2 -10.061  -6.789   3.893
   12    HD2  LYS   2           1HD      LYS   2 -12.476  -6.268   5.669
   13    HD3  LYS   2           2HD      LYS   2 -11.737  -5.071   4.594
   14    HE2  LYS   2           1HE      LYS   2 -12.144  -6.547   2.639
   15    HE3  LYS   2           2HE      LYS   2 -12.920  -7.736   3.695
   16    HZ1  LYS   2           3HZ      LYS   2 -14.553  -6.302   2.624
   17    HZ2  LYS   2           1HZ      LYS   2 -14.598  -6.063   4.239
   18    HZ3  LYS   2           2HZ      LYS   2 -13.880  -4.960   3.269
   19    H    THR   3           H        THR   3  -9.714 -10.444   3.388
   20    HA   THR   3           HA       THR   3  -7.500  -9.311   1.731
   21    HB   THR   3           HB       THR   3  -8.808 -11.999   1.270
   22    HG1  THR   3           1HG      THR   3  -6.700 -11.301   3.033
   23   HG21  THR   3          3HG2      THR   3  -6.607 -12.461   0.187
   24   HG22  THR   3          1HG2      THR   3  -7.460 -11.114  -0.580
   25   HG23  THR   3          2HG2      THR   3  -6.108 -10.787   0.520
   26    H    PHE   4           H        PHE   4  -7.941  -8.381  -0.119
   27    HA   PHE   4           HA       PHE   4 -10.764  -8.134  -1.039
   28    HB2  PHE   4           1HB      PHE   4  -8.261  -6.483  -1.550
   29    HB3  PHE   4           2HB      PHE   4  -9.774  -6.188  -2.360
   30    HD1  PHE   4           1HD      PHE   4  -8.183  -6.257   1.042
   31    HD2  PHE   4           2HD      PHE   4 -11.467  -4.819  -1.365
   32    HE1  PHE   4           1HE      PHE   4  -8.958  -4.844   2.922
   33    HE2  PHE   4           2HE      PHE   4 -12.244  -3.436   0.524
   34    HZ   PHE   4           HZ       PHE   4 -10.998  -3.445   2.679
   35    H    THR   5           H        THR   5 -11.212  -8.195  -3.267
   36    HA   THR   5           HA       THR   5  -9.458  -9.918  -4.978
   37    HB   THR   5           HB       THR   5 -11.778 -10.709  -4.674
   38    HG1  THR   5           1HG      THR   5 -11.973 -11.089  -6.879
   39   HG21  THR   5          3HG2      THR   5 -13.632  -9.614  -5.780
   40   HG22  THR   5          1HG2      THR   5 -12.952  -8.462  -4.623
   41   HG23  THR   5          2HG2      THR   5 -12.597  -8.299  -6.361
   42    H    ARG   6           H        ARG   6  -9.286  -9.134  -7.312
   43    HA   ARG   6           HA       ARG   6  -8.060  -6.588  -7.262
   44    HB2  ARG   6           1HB      ARG   6  -7.565  -8.400  -8.882
   45    HB3  ARG   6           2HB      ARG   6  -9.066  -8.035  -9.742
   46    HG2  ARG   6           1HG      ARG   6  -8.270  -5.741 -10.209
   47    HG3  ARG   6           2HG      ARG   6  -6.809  -6.021  -9.250
   48    HD2  ARG   6           1HD      ARG   6  -7.575  -7.537 -11.777
   49    HD3  ARG   6           2HD      ARG   6  -6.450  -6.175 -11.707
   50    HE   ARG   6           HE       ARG   6  -5.223  -7.710  -9.937
   51   HH11  ARG   6          1HH1      ARG   6  -6.754  -8.996 -12.873
   52   HH12  ARG   6          2HH1      ARG   6  -5.617 -10.307 -12.974
   53   HH21  ARG   6          1HH2      ARG   6  -3.718  -9.236 -10.246
   54   HH22  ARG   6          2HH2      ARG   6  -3.922 -10.471 -11.473
   55    H    CYS   7           H        CYS   7 -11.299  -7.410  -8.619
   56    HA   CYS   7           HA       CYS   7 -12.002  -4.737  -9.368
   57    HB2  CYS   7           1HB      CYS   7 -13.149  -6.804 -10.125
   58    HB3  CYS   7           2HB      CYS   7 -13.816  -7.022  -8.506
   59    H    GLY   8           H        GLY   8 -12.398  -6.403  -6.242
   60    HA2  GLY   8           1HA      GLY   8 -13.859  -4.308  -4.904
   61    HA3  GLY   8           2HA      GLY   8 -12.902  -5.596  -4.129
   62    H    LEU   9           H        LEU   9 -10.335  -5.071  -5.043
   63    HA   LEU   9           HA       LEU   9  -9.449  -2.831  -3.527
   64    HB2  LEU   9           1HB      LEU   9  -8.157  -4.911  -4.011
   65    HB3  LEU   9           2HB      LEU   9  -8.068  -4.461  -5.715
   66    HG   LEU   9           HG       LEU   9  -6.800  -2.424  -5.117
   67   HD11  LEU   9          1HD1      LEU   9  -7.601  -1.939  -2.882
   68   HD12  LEU   9          2HD1      LEU   9  -7.041  -3.513  -2.289
   69   HD13  LEU   9          3HD1      LEU   9  -5.867  -2.256  -2.771
   70   HD21  LEU   9          3HD2      LEU   9  -4.711  -3.517  -4.607
   71   HD22  LEU   9          1HD2      LEU   9  -5.554  -4.911  -3.894
   72   HD23  LEU   9          2HD2      LEU   9  -5.656  -4.595  -5.643
   73    H    VAL  10           H        VAL  10  -9.710  -3.190  -7.113
   74    HA   VAL  10           HA       VAL  10  -8.904  -0.606  -7.873
   75    HB   VAL  10           HB       VAL  10 -11.044  -2.426  -9.037
   76   HG11  VAL  10          1HG1      VAL  10 -11.771  -0.277  -9.799
   77   HG12  VAL  10          2HG1      VAL  10 -10.118   0.257 -10.117
   78   HG13  VAL  10          3HG1      VAL  10 -10.864  -0.987 -11.133
   79   HG21  VAL  10          3HG2      VAL  10  -9.421  -2.837 -10.800
   80   HG22  VAL  10          1HG2      VAL  10  -8.296  -1.656 -10.099
   81   HG23  VAL  10          2HG2      VAL  10  -8.658  -3.157  -9.242
   82    H    HIS  11           H        HIS  11 -12.144  -1.640  -6.780
   83    HA   HIS  11           HA       HIS  11 -13.376   0.973  -6.929
   84    HB2  HIS  11           1HB      HIS  11 -14.110  -1.564  -5.424
   85    HB3  HIS  11           2HB      HIS  11 -15.107  -0.123  -5.458
   86    HD2  HIS  11           2HD      HIS  11 -13.743  -0.426  -8.895
   87    HE1  HIS  11           1HE      HIS  11 -17.408  -2.587  -8.992
   88    HE2  HIS  11           2HE      HIS  11 -15.595  -1.529 -10.420
   89    H    GLU  12           H        GLU  12 -11.894  -0.791  -4.195
   90    HA   GLU  12           HA       GLU  12 -12.577   1.084  -2.167
   91    HB2  GLU  12           1HB      GLU  12 -11.585  -1.397  -2.144
   92    HB3  GLU  12           2HB      GLU  12 -10.046  -0.577  -2.052
   93    HG2  GLU  12           1HG      GLU  12 -10.906  -1.255   0.139
   94    HG3  GLU  12           2HG      GLU  12 -10.740   0.506   0.031
   95    H    LEU  13           H        LEU  13  -9.729   0.867  -4.289
   96    HA   LEU  13           HA       LEU  13  -8.396   3.198  -3.151
   97    HB2  LEU  13           1HB      LEU  13  -8.074   1.757  -5.796
   98    HB3  LEU  13           2HB      LEU  13  -6.923   2.918  -5.139
   99    HG   LEU  13           HG       LEU  13  -7.631   0.286  -3.836
  100   HD11  LEU  13          1HD1      LEU  13  -6.470  -0.032  -5.950
  101   HD12  LEU  13          2HD1      LEU  13  -5.223   1.150  -5.469
  102   HD13  LEU  13          3HD1      LEU  13  -5.367  -0.400  -4.605
  103   HD21  LEU  13          3HD2      LEU  13  -5.670   0.674  -2.424
  104   HD22  LEU  13          1HD2      LEU  13  -5.453   2.291  -3.159
  105   HD23  LEU  13          2HD2      LEU  13  -6.889   1.925  -2.172
  106    H    ARG  14           H        ARG  14 -10.486   2.713  -6.011
  107    HA   ARG  14           HA       ARG  14 -10.465   5.414  -6.964
  108    HB2  ARG  14           1HB      ARG  14 -12.574   3.243  -7.038
  109    HB3  ARG  14           2HB      ARG  14 -12.900   4.850  -7.683
  110    HG2  ARG  14           1HG      ARG  14 -11.193   4.688  -9.340
  111    HG3  ARG  14           2HG      ARG  14 -10.522   3.215  -8.615
  112    HD2  ARG  14           1HD      ARG  14 -12.535   1.964  -9.104
  113    HD3  ARG  14           2HD      ARG  14 -13.340   3.422  -9.739
  114    HE   ARG  14           HE       ARG  14 -10.959   3.022 -11.204
  115   HH11  ARG  14          1HH1      ARG  14 -14.126   1.459 -10.830
  116   HH12  ARG  14          2HH1      ARG  14 -13.955   0.579 -12.335
  117   HH21  ARG  14          1HH2      ARG  14 -10.906   1.877 -13.212
  118   HH22  ARG  14          2HH2      ARG  14 -12.247   0.835 -13.615
  119    H    LYS  15           H        LYS  15 -12.502   3.936  -4.379
  120    HA   LYS  15           HA       LYS  15 -13.931   6.261  -3.601
  121    HB2  LYS  15           1HB      LYS  15 -14.341   3.798  -3.116
  122    HB3  LYS  15           2HB      LYS  15 -13.012   3.869  -1.953
  123    HG2  LYS  15           1HG      LYS  15 -14.340   5.773  -0.832
  124    HG3  LYS  15           2HG      LYS  15 -15.690   5.254  -1.856
  125    HD2  LYS  15           1HD      LYS  15 -14.162   3.575   0.185
  126    HD3  LYS  15           2HD      LYS  15 -15.791   4.223   0.402
  127    HE2  LYS  15           1HE      LYS  15 -16.664   2.778  -1.368
  128    HE3  LYS  15           2HE      LYS  15 -15.031   2.240  -1.791
  129    HZ1  LYS  15           3HZ      LYS  15 -16.130   0.612  -0.392
  130    HZ2  LYS  15           1HZ      LYS  15 -14.826   1.221   0.379
  131    HZ3  LYS  15           2HZ      LYS  15 -16.337   1.704   0.813
  132    H    HIS  16           H        HIS  16 -10.739   5.028  -2.600
  133    HA   HIS  16           HA       HIS  16 -10.384   7.097  -0.569
  134    HB2  HIS  16           1HB      HIS  16  -8.673   4.749  -1.480
  135    HB3  HIS  16           2HB      HIS  16  -8.265   5.826  -0.143
  136    HD2  HIS  16           2HD      HIS  16  -8.423   3.103   0.845
  137    HE1  HIS  16           1HE      HIS  16 -12.500   3.579   1.920
  138    HE2  HIS  16           2HE      HIS  16 -10.452   2.136   2.238
  139    H    GLY  17           H        GLY  17  -9.998   7.418  -3.804
  140    HA2  GLY  17           1HA      GLY  17  -9.288   9.419  -4.797
  141    HA3  GLY  17           2HA      GLY  17  -8.274   9.790  -3.385
  142    H    PHE  18           H        PHE  18  -8.178   6.777  -5.306
  143    HA   PHE  18           HA       PHE  18  -5.423   7.426  -6.250
  144    HB2  PHE  18           1HB      PHE  18  -6.989   4.864  -6.060
  145    HB3  PHE  18           2HB      PHE  18  -5.437   4.993  -6.864
  146    HD1  PHE  18           2HD      PHE  18  -6.985   5.792  -3.479
  147    HD2  PHE  18           1HD      PHE  18  -3.534   4.432  -5.662
  148    HE1  PHE  18           2HE      PHE  18  -5.790   5.477  -1.373
  149    HE2  PHE  18           1HE      PHE  18  -2.338   4.049  -3.523
  150    HZ   PHE  18           HZ       PHE  18  -3.453   4.572  -1.371
  151    H    GLU  19           H        GLU  19  -5.001   7.637  -8.437
  152    HA   GLU  19           HA       GLU  19  -7.245   8.425 -10.079
  153    HB2  GLU  19           1HB      GLU  19  -4.313   8.162 -10.824
  154    HB3  GLU  19           2HB      GLU  19  -5.556   9.016 -11.739
  155    HG2  GLU  19           1HG      GLU  19  -4.527   9.780  -8.980
  156    HG3  GLU  19           2HG      GLU  19  -4.108  10.546 -10.504
  157    H    GLU  20           H        GLU  20  -8.170   7.455 -11.835
  158    HA   GLU  20           HA       GLU  20  -8.094   4.658 -12.074
  159    HB2  GLU  20           1HB      GLU  20  -9.568   4.907 -13.966
  160    HB3  GLU  20           2HB      GLU  20 -10.021   6.013 -12.672
  161    HG2  GLU  20           1HG      GLU  20  -8.885   7.883 -13.906
  162    HG3  GLU  20           2HG      GLU  20  -8.500   6.761 -15.213
  163    H    ASN  21           H        ASN  21  -6.060   7.000 -13.770
  164    HA   ASN  21           HA       ASN  21  -5.107   5.027 -15.714
  165    HB2  ASN  21           1HB      ASN  21  -3.779   6.751 -16.602
  166    HB3  ASN  21           2HB      ASN  21  -5.348   7.461 -16.251
  167   HD21  ASN  21          2HD2      ASN  21  -2.424   8.552 -16.438
  168   HD22  ASN  21          1HD2      ASN  21  -2.283   9.500 -14.967
  169    H    LEU  22           H        LEU  22  -4.294   5.849 -12.454
  170    HA   LEU  22           HA       LEU  22  -1.628   4.489 -12.626
  171    HB2  LEU  22           1HB      LEU  22  -2.962   5.966 -10.324
  172    HB3  LEU  22           2HB      LEU  22  -1.334   5.299 -10.334
  173    HG   LEU  22           HG       LEU  22  -2.356   7.641 -11.963
  174   HD11  LEU  22          1HD1      LEU  22  -1.946   8.098  -9.577
  175   HD12  LEU  22          2HD1      LEU  22  -0.296   7.456  -9.731
  176   HD13  LEU  22          3HD1      LEU  22  -0.766   8.935 -10.599
  177   HD21  LEU  22          3HD2      LEU  22  -0.012   7.957 -12.732
  178   HD22  LEU  22          1HD2      LEU  22   0.430   6.401 -12.002
  179   HD23  LEU  22          2HD2      LEU  22  -0.716   6.465 -13.360
  180    H    MET  23           H        MET  23  -4.906   3.903 -11.737
  181    HA   MET  23           HA       MET  23  -4.837   2.176  -9.650
  182    HB2  MET  23           1HB      MET  23  -6.778   3.088 -11.049
  183    HB3  MET  23           2HB      MET  23  -6.563   1.724 -12.111
  184    HG2  MET  23           1HG      MET  23  -8.366   1.336 -10.461
  185    HG3  MET  23           2HG      MET  23  -7.062   0.172 -10.239
  186    HE1  MET  23           3HE      MET  23  -8.096   3.786  -7.600
  187    HE2  MET  23           1HE      MET  23  -6.839   4.033  -8.837
  188    HE3  MET  23           2HE      MET  23  -8.475   3.548  -9.312
  189    H    ARG  24           H        ARG  24  -4.229   1.106 -13.039
  190    HA   ARG  24           HA       ARG  24  -3.780  -1.626 -12.570
  191    HB2  ARG  24           1HB      ARG  24  -2.314   0.181 -14.546
  192    HB3  ARG  24           2HB      ARG  24  -2.386  -1.585 -14.591
  193    HG2  ARG  24           1HG      ARG  24  -4.885  -1.431 -14.823
  194    HG3  ARG  24           2HG      ARG  24  -4.725   0.333 -14.922
  195    HD2  ARG  24           1HD      ARG  24  -4.892  -0.433 -17.156
  196    HD3  ARG  24           2HD      ARG  24  -3.194   0.010 -16.908
  197    HE   ARG  24           HE       ARG  24  -3.698  -2.789 -16.332
  198   HH11  ARG  24          1HH1      ARG  24  -3.228  -0.639 -19.107
  199   HH12  ARG  24          2HH1      ARG  24  -2.721  -1.941 -20.140
  200   HH21  ARG  24          1HH2      ARG  24  -3.023  -4.406 -17.701
  201   HH22  ARG  24          2HH2      ARG  24  -2.607  -4.049 -19.349
  202    H    ASN  25           H        ASN  25  -1.343   1.035 -12.376
  203    HA   ASN  25           HA       ASN  25   0.874  -0.621 -11.610
  204    HB2  ASN  25           1HB      ASN  25   0.327   2.334 -11.047
  205    HB3  ASN  25           2HB      ASN  25   1.821   1.495 -10.677
  206   HD21  ASN  25          2HD2      ASN  25   3.005   2.962 -11.997
  207   HD22  ASN  25          1HD2      ASN  25   2.959   2.797 -13.746
  208    H    TRP  26           H        TRP  26  -1.524   1.239  -9.663
  209    HA   TRP  26           HA       TRP  26  -0.402   0.602  -7.132
  210    HB2  TRP  26           1HB      TRP  26  -3.128   1.560  -8.044
  211    HB3  TRP  26           2HB      TRP  26  -2.791   1.210  -6.358
  212    HD1  TRP  26           HD       TRP  26  -2.672   4.027  -8.670
  213    HE1  TRP  26           1HE      TRP  26  -1.432   6.006  -7.629
  214    HE3  TRP  26           3HE      TRP  26  -0.277   1.571  -4.862
  215    HZ2  TRP  26           2HZ      TRP  26   0.189   6.512  -5.281
  216    HZ3  TRP  26           3HZ      TRP  26   1.103   2.829  -3.236
  217    HH2  TRP  26           HH       TRP  26   1.323   5.299  -3.418
  218    H    VAL  27           H        VAL  27  -3.185  -1.031  -8.813
  219    HA   VAL  27           HA       VAL  27  -3.407  -2.954  -6.681
  220    HB   VAL  27           HB       VAL  27  -4.842  -4.293  -7.963
  221   HG11  VAL  27          1HG1      VAL  27  -5.651  -2.073  -7.117
  222   HG12  VAL  27          2HG1      VAL  27  -5.472  -1.432  -8.758
  223   HG13  VAL  27          3HG1      VAL  27  -6.593  -2.765  -8.444
  224   HG21  VAL  27          3HG2      VAL  27  -5.362  -3.902 -10.360
  225   HG22  VAL  27          1HG2      VAL  27  -3.979  -2.788 -10.454
  226   HG23  VAL  27          2HG2      VAL  27  -3.725  -4.508 -10.084
  227    H    CYS  28           H        CYS  28  -1.428  -3.008  -9.665
  228    HA   CYS  28           HA       CYS  28  -0.561  -5.735  -9.322
  229    HB2  CYS  28           1HB      CYS  28  -0.601  -4.294 -11.391
  230    HB3  CYS  28           2HB      CYS  28   0.851  -3.495 -10.816
  231    H    LEU  29           H        LEU  29   0.750  -2.651  -8.165
  232    HA   LEU  29           HA       LEU  29   3.103  -3.654  -6.844
  233    HB2  LEU  29           1HB      LEU  29   2.720  -1.337  -7.463
  234    HB3  LEU  29           2HB      LEU  29   1.315  -1.207  -6.430
  235    HG   LEU  29           HG       LEU  29   4.136  -1.643  -5.366
  236   HD11  LEU  29          1HD1      LEU  29   3.950   0.475  -6.658
  237   HD12  LEU  29          2HD1      LEU  29   2.514   0.926  -5.713
  238   HD13  LEU  29          3HD1      LEU  29   4.099   0.800  -4.930
  239   HD21  LEU  29          3HD2      LEU  29   3.129  -0.623  -3.277
  240   HD22  LEU  29          1HD2      LEU  29   1.529  -0.782  -4.021
  241   HD23  LEU  29          2HD2      LEU  29   2.508  -2.221  -3.646
  242    H    VAL  30           H        VAL  30  -0.173  -2.886  -5.562
  243    HA   VAL  30           HA       VAL  30   0.278  -3.867  -2.950
  244    HB   VAL  30           HB       VAL  30  -2.237  -3.502  -4.592
  245   HG11  VAL  30          1HG1      VAL  30  -2.858  -5.258  -3.025
  246   HG12  VAL  30          2HG1      VAL  30  -2.105  -4.368  -1.685
  247   HG13  VAL  30          3HG1      VAL  30  -3.554  -3.732  -2.500
  248   HG21  VAL  30          3HG2      VAL  30  -2.574  -1.578  -3.105
  249   HG22  VAL  30          1HG2      VAL  30  -1.148  -2.030  -2.145
  250   HG23  VAL  30          2HG2      VAL  30  -0.958  -1.479  -3.817
  251    H    GLU  31           H        GLU  31  -0.976  -5.665  -5.807
  252    HA   GLU  31           HA       GLU  31  -1.400  -8.140  -4.471
  253    HB2  GLU  31           1HB      GLU  31  -0.776  -7.373  -7.350
  254    HB3  GLU  31           2HB      GLU  31  -0.941  -9.070  -6.880
  255    HG2  GLU  31           1HG      GLU  31  -3.170  -8.784  -6.110
  256    HG3  GLU  31           2HG      GLU  31  -3.093  -7.025  -6.254
  257    H    HIS  32           H        HIS  32   1.678  -6.715  -5.646
  258    HA   HIS  32           HA       HIS  32   3.114  -9.232  -5.136
  259    HB2  HIS  32           1HB      HIS  32   3.559  -7.424  -6.959
  260    HB3  HIS  32           2HB      HIS  32   4.419  -6.564  -5.684
  261    HD2  HIS  32           2HD      HIS  32   4.453  -9.811  -7.745
  262    HE1  HIS  32           1HE      HIS  32   8.207  -9.680  -5.739
  263    HE2  HIS  32           2HE      HIS  32   6.820 -10.938  -7.475
  264    H    GLU  33           H        GLU  33   2.542  -6.177  -3.452
  265    HA   GLU  33           HA       GLU  33   4.596  -6.644  -1.430
  266    HB2  GLU  33           1HB      GLU  33   2.354  -4.611  -1.668
  267    HB3  GLU  33           2HB      GLU  33   3.448  -4.669  -0.296
  268    HG2  GLU  33           1HG      GLU  33   4.271  -4.224  -3.194
  269    HG3  GLU  33           2HG      GLU  33   4.131  -2.986  -1.952
  270    H    SER  34           H        SER  34   0.943  -6.621  -1.198
  271    HA   SER  34           HA       SER  34   1.229  -8.280   1.290
  272    HB2  SER  34           1HB      SER  34  -0.837  -7.274   2.007
  273    HB3  SER  34           2HB      SER  34   0.306  -5.993   1.586
  274    HG   SER  34           HG       SER  34  -1.014  -5.351   0.084
  275    H    SER  35           H        SER  35   0.206  -8.537  -1.929
  276    HA   SER  35           HA       SER  35  -1.183  -9.897  -3.100
  277    HB2  SER  35           1HB      SER  35  -1.492 -11.655  -0.659
  278    HB3  SER  35           2HB      SER  35  -1.853 -12.047  -2.341
  279    HG   SER  35           HG       SER  35   0.742 -11.396  -1.330
  280    H    ARG  36           H        ARG  36  -2.219  -7.592  -1.528
  281    HA   ARG  36           HA       ARG  36  -4.164  -6.511  -1.311
  282    HB2  ARG  36           1HB      ARG  36  -5.793  -8.856  -2.307
  283    HB3  ARG  36           2HB      ARG  36  -6.157  -7.136  -2.370
  284    HG2  ARG  36           1HG      ARG  36  -4.197  -6.904  -4.001
  285    HG3  ARG  36           2HG      ARG  36  -4.138  -8.657  -4.057
  286    HD2  ARG  36           1HD      ARG  36  -6.640  -7.052  -4.723
  287    HD3  ARG  36           2HD      ARG  36  -5.480  -7.609  -5.920
  288    HE   ARG  36           HE       ARG  36  -7.072  -9.383  -4.101
  289   HH11  ARG  36          1HH1      ARG  36  -5.588  -9.001  -7.343
  290   HH12  ARG  36          2HH1      ARG  36  -6.029 -10.627  -7.770
  291   HH21  ARG  36          1HH2      ARG  36  -7.521 -11.430  -4.748
  292   HH22  ARG  36          2HH2      ARG  36  -7.144 -11.956  -6.360
  293    H    ASP  37           H        ASP  37  -3.074  -8.082   0.840
  294    HA   ASP  37           HA       ASP  37  -5.514  -8.764   2.459
  295    HB2  ASP  37           1HB      ASP  37  -4.199 -10.770   1.857
  296    HB3  ASP  37           2HB      ASP  37  -2.756 -10.032   2.540
  297    H    THR  38           H        THR  38  -5.867  -7.328   4.065
  298    HA   THR  38           HA       THR  38  -3.841  -5.397   4.806
  299    HB   THR  38           HB       THR  38  -5.329  -4.613   6.555
  300    HG1  THR  38           1HG      THR  38  -7.251  -5.523   6.915
  301   HG21  THR  38          3HG2      THR  38  -7.261  -3.946   5.196
  302   HG22  THR  38          1HG2      THR  38  -5.739  -3.773   4.311
  303   HG23  THR  38          2HG2      THR  38  -6.828  -5.144   3.962
  304    H    SER  39           H        SER  39  -4.722  -8.536   6.108
  305    HA   SER  39           HA       SER  39  -3.504  -8.204   8.697
  306    HB2  SER  39           1HB      SER  39  -4.203 -10.705   7.117
  307    HB3  SER  39           2HB      SER  39  -3.778 -10.653   8.829
  308    HG   SER  39           HG       SER  39  -6.049 -10.695   8.491
  309    H    LYS  40           H        LYS  40  -1.931  -8.375   5.714
  310    HA   LYS  40           HA       LYS  40   0.073 -10.330   6.350
  311    HB2  LYS  40           1HB      LYS  40  -0.844  -9.553   4.045
  312    HB3  LYS  40           2HB      LYS  40   0.245  -8.194   4.200
  313    HG2  LYS  40           1HG      LYS  40   1.417  -9.794   2.903
  314    HG3  LYS  40           2HG      LYS  40   2.163  -9.874   4.477
  315    HD2  LYS  40           1HD      LYS  40   1.877 -12.106   3.574
  316    HD3  LYS  40           2HD      LYS  40   0.826 -11.940   4.983
  317    HE2  LYS  40           1HE      LYS  40  -1.115 -11.498   3.473
  318    HE3  LYS  40           2HE      LYS  40  -0.055 -11.636   2.068
  319    HZ1  LYS  40           3HZ      LYS  40  -1.240 -13.701   2.498
  320    HZ2  LYS  40           1HZ      LYS  40   0.361 -13.954   2.709
  321    HZ3  LYS  40           2HZ      LYS  40  -0.630 -13.812   4.007
  322    H    THR  41           H        THR  41   2.188 -10.152   6.875
  323    HA   THR  41           HA       THR  41   3.488  -7.569   7.427
  324    HB   THR  41           HB       THR  41   4.401  -8.607   9.617
  325    HG1  THR  41           1HG      THR  41   2.944 -10.050  10.612
  326   HG21  THR  41          3HG2      THR  41   2.601  -7.754  11.015
  327   HG22  THR  41          1HG2      THR  41   2.967  -6.649   9.702
  328   HG23  THR  41          2HG2      THR  41   1.510  -7.673   9.606
  329    H    ASN  42           H        ASN  42   5.686  -7.622   7.556
  330    HA   ASN  42           HA       ASN  42   7.168 -10.116   6.964
  331    HB2  ASN  42           1HB      ASN  42   6.945  -7.720   5.100
  332    HB3  ASN  42           2HB      ASN  42   8.353  -8.767   5.089
  333   HD21  ASN  42          2HD2      ASN  42   5.067  -8.449   4.017
  334   HD22  ASN  42          1HD2      ASN  42   5.005 -10.004   3.190
  335    H    THR  43           H        THR  43   9.002 -10.154   8.120
  336    HA   THR  43           HA       THR  43   9.901  -7.721   9.567
  337    HB   THR  43           HB       THR  43  10.751 -10.612   9.952
  338    HG1  THR  43           1HG      THR  43   9.174 -10.652  11.520
  339   HG21  THR  43          3HG2      THR  43  11.311  -9.784  12.252
  340   HG22  THR  43          1HG2      THR  43  12.294  -9.004  11.008
  341   HG23  THR  43          2HG2      THR  43  10.927  -8.128  11.732
  342    H    ASN  44           H        ASN  44  11.870  -6.829   9.388
  343    HA   ASN  44           HA       ASN  44  13.516  -7.580   7.023
  344    HB2  ASN  44           1HB      ASN  44  13.392  -4.999   8.638
  345    HB3  ASN  44           2HB      ASN  44  14.333  -5.260   7.175
  346   HD21  ASN  44          2HD2      ASN  44  11.118  -4.793   8.466
  347   HD22  ASN  44          1HD2      ASN  44  10.334  -4.432   6.912
  348    H    ARG  45           H        ARG  45  15.829  -7.387   7.155
  349    HA   ARG  45           HA       ARG  45  17.061  -8.723   9.367
  350    HB2  ARG  45           1HB      ARG  45  18.380  -7.066   7.173
  351    HB3  ARG  45           2HB      ARG  45  19.189  -8.214   8.249
  352    HG2  ARG  45           1HG      ARG  45  17.699 -10.042   7.333
  353    HG3  ARG  45           2HG      ARG  45  17.037  -8.860   6.194
  354    HD2  ARG  45           1HD      ARG  45  18.698 -10.120   5.026
  355    HD3  ARG  45           2HD      ARG  45  19.336  -8.487   5.282
  356    HE   ARG  45           HE       ARG  45  20.122 -10.285   7.410
  357   HH11  ARG  45          1HH1      ARG  45  20.966  -9.520   4.060
  358   HH12  ARG  45          2HH1      ARG  45  22.596 -10.095   4.244
  359   HH21  ARG  45          1HH2      ARG  45  22.239 -11.000   7.582
  360   HH22  ARG  45          2HH2      ARG  45  23.301 -10.925   6.209
  361    H    ASN  46           H        ASN  46  16.550  -5.343   8.756
  362    HA   ASN  46           HA       ASN  46  18.272  -4.137  10.685
  363    HB2  ASN  46           1HB      ASN  46  17.215  -2.860   8.936
  364    HB3  ASN  46           2HB      ASN  46  15.603  -3.379   9.428
  365   HD21  ASN  46          2HD2      ASN  46  18.235  -1.123  10.144
  366   HD22  ASN  46          1HD2      ASN  46  17.323  -0.195  11.319
  367    H    GLY  47           H        GLY  47  15.251  -5.901  11.135
  368    HA2  GLY  47           1HA      GLY  47  14.370  -6.606  13.232
  369    HA3  GLY  47           2HA      GLY  47  15.114  -5.206  14.043
  370    H    SER  48           H        SER  48  13.925  -3.727  11.409
  371    HA   SER  48           HA       SER  48  11.376  -2.907  12.545
  372    HB2  SER  48           1HB      SER  48  11.147  -1.627  10.495
  373    HB3  SER  48           2HB      SER  48  12.681  -1.342  11.307
  374    HG   SER  48           HG       SER  48  13.205  -1.628   9.171
  375    H    LYS  49           H        LYS  49   9.338  -3.119  11.375
  376    HA   LYS  49           HA       LYS  49   9.066  -5.541   9.655
  377    HB2  LYS  49           1HB      LYS  49   8.520  -5.969  12.134
  378    HB3  LYS  49           2HB      LYS  49   7.109  -4.945  11.887
  379    HG2  LYS  49           1HG      LYS  49   6.354  -6.473  10.043
  380    HG3  LYS  49           2HG      LYS  49   7.723  -7.525  10.412
  381    HD2  LYS  49           1HD      LYS  49   5.401  -6.841  12.257
  382    HD3  LYS  49           2HD      LYS  49   5.661  -8.368  11.400
  383    HE2  LYS  49           1HE      LYS  49   7.783  -8.710  12.650
  384    HE3  LYS  49           2HE      LYS  49   7.471  -7.216  13.549
  385    HZ1  LYS  49           3HZ      LYS  49   6.736  -9.157  14.792
  386    HZ2  LYS  49           1HZ      LYS  49   5.443  -8.234  14.417
  387    HZ3  LYS  49           2HZ      LYS  49   5.732  -9.619  13.592
  388    H    ASP  50           H        ASP  50   7.415  -5.549   8.239
  389    HA   ASP  50           HA       ASP  50   6.290  -2.924   7.441
  390    HB2  ASP  50           1HB      ASP  50   6.411  -5.558   5.924
  391    HB3  ASP  50           2HB      ASP  50   5.994  -3.979   5.287
  392    H    TYR  51           H        TYR  51   4.086  -2.630   7.276
  393    HA   TYR  51           HA       TYR  51   2.230  -4.829   8.133
  394    HB2  TYR  51           1HB      TYR  51   2.423  -1.942   9.079
  395    HB3  TYR  51           2HB      TYR  51   1.146  -3.059   9.528
  396    HD1  TYR  51           2HD      TYR  51   4.736  -2.230   9.925
  397    HD2  TYR  51           1HD      TYR  51   1.482  -4.714  11.247
  398    HE1  TYR  51           2HE      TYR  51   6.046  -2.872  11.918
  399    HE2  TYR  51           1HE      TYR  51   2.775  -5.343  13.281
  400    HH   TYR  51           HH       TYR  51   6.057  -4.037  13.924
  401    H    GLY  52           H        GLY  52   0.124  -4.786   7.387
  402    HA2  GLY  52           1HA      GLY  52  -1.822  -3.980   6.411
  403    HA3  GLY  52           2HA      GLY  52  -1.053  -2.397   6.238
  404    H    LEU  53           H        LEU  53  -2.555  -2.713   4.277
  405    HA   LEU  53           HA       LEU  53  -1.882  -4.606   2.335
  406    HB2  LEU  53           1HB      LEU  53  -3.959  -2.797   2.726
  407    HB3  LEU  53           2HB      LEU  53  -3.087  -1.965   1.451
  408    HG   LEU  53           HG       LEU  53  -3.154  -4.393   0.290
  409   HD11  LEU  53          1HD1      LEU  53  -4.177  -5.469   2.241
  410   HD12  LEU  53          2HD1      LEU  53  -5.588  -4.388   2.114
  411   HD13  LEU  53          3HD1      LEU  53  -5.264  -5.544   0.831
  412   HD21  LEU  53          3HD2      LEU  53  -5.218  -3.829  -0.813
  413   HD22  LEU  53          1HD2      LEU  53  -5.592  -2.604   0.435
  414   HD23  LEU  53          2HD2      LEU  53  -4.199  -2.376  -0.653
  415    H    PHE  54           H        PHE  54  -0.361  -1.536   2.759
  416    HA   PHE  54           HA       PHE  54   1.105  -1.832   0.175
  417    HB2  PHE  54           1HB      PHE  54   0.887   0.528   2.071
  418    HB3  PHE  54           2HB      PHE  54   1.760   0.516   0.553
  419    HD1  PHE  54           2HD      PHE  54  -1.635   0.336   2.067
  420    HD2  PHE  54           1HD      PHE  54   0.637   0.846  -1.559
  421    HE1  PHE  54           2HE      PHE  54  -3.683   1.064   0.900
  422    HE2  PHE  54           1HE      PHE  54  -1.417   1.614  -2.719
  423    HZ   PHE  54           HZ       PHE  54  -3.581   1.720  -1.503
  424    H    GLN  55           H        GLN  55   1.503  -3.114   3.117
  425    HA   GLN  55           HA       GLN  55   3.184  -3.694   4.490
  426    HB2  GLN  55           1HB      GLN  55   4.596  -3.804   1.795
  427    HB3  GLN  55           2HB      GLN  55   5.296  -4.461   3.263
  428    HG2  GLN  55           1HG      GLN  55   2.683  -5.376   2.010
  429    HG3  GLN  55           2HG      GLN  55   4.241  -6.205   1.975
  430   HE21  GLN  55          2HE2      GLN  55   1.357  -5.595   3.941
  431   HE22  GLN  55          1HE2      GLN  55   1.900  -6.530   5.309
  432    H    ILE  56           H        ILE  56   2.883  -1.400   5.240
  433    HA   ILE  56           HA       ILE  56   5.050   0.501   4.643
  434    HB   ILE  56           HB       ILE  56   2.707   0.823   6.568
  435   HG12  ILE  56          1HG1      ILE  56   2.932   1.389   3.567
  436   HG13  ILE  56          2HG1      ILE  56   1.784   0.279   4.342
  437   HG21  ILE  56          1HG2      ILE  56   4.585   2.393   6.812
  438   HG22  ILE  56          2HG2      ILE  56   4.393   2.876   5.107
  439   HG23  ILE  56          3HG2      ILE  56   3.108   3.185   6.305
  440   HD11  ILE  56          3HD1      ILE  56   0.523   2.165   3.726
  441   HD12  ILE  56          1HD1      ILE  56   0.760   2.326   5.481
  442   HD13  ILE  56          2HD1      ILE  56   1.738   3.290   4.339
  443    H    ASN  57           H        ASN  57   6.719   1.018   6.001
  444    HA   ASN  57           HA       ASN  57   7.210  -0.957   8.108
  445    HB2  ASN  57           1HB      ASN  57   8.742  -0.621   6.216
  446    HB3  ASN  57           2HB      ASN  57   9.044   1.031   6.777
  447   HD21  ASN  57          2HD2      ASN  57   9.786  -2.352   7.242
  448   HD22  ASN  57          1HD2      ASN  57  11.017  -2.088   8.482
  449    H    ASP  58           H        ASP  58   7.543  -0.615  10.168
  450    HA   ASP  58           HA       ASP  58   6.505   1.628  11.474
  451    HB2  ASP  58           1HB      ASP  58   6.950   0.581  13.471
  452    HB3  ASP  58           2HB      ASP  58   6.655  -0.724  12.331
  453    H    ARG  59           H        ARG  59   9.688   1.393  10.251
  454    HA   ARG  59           HA       ARG  59  10.915   3.217  12.210
  455    HB2  ARG  59           1HB      ARG  59  12.013   1.197  11.245
  456    HB3  ARG  59           2HB      ARG  59  12.069   2.015   9.678
  457    HG2  ARG  59           1HG      ARG  59  13.536   3.722  10.518
  458    HG3  ARG  59           2HG      ARG  59  13.325   3.188  12.193
  459    HD2  ARG  59           1HD      ARG  59  14.450   1.370  10.029
  460    HD3  ARG  59           2HD      ARG  59  15.490   2.487  10.922
  461    HE   ARG  59           HE       ARG  59  14.465  -0.043  11.792
  462   HH11  ARG  59          1HH1      ARG  59  15.399   3.084  13.168
  463   HH12  ARG  59          2HH1      ARG  59  15.906   2.358  14.664
  464   HH21  ARG  59          1HH2      ARG  59  15.162  -0.896  13.672
  465   HH22  ARG  59          2HH2      ARG  59  15.735   0.122  14.965
  466    H    TYR  60           H        TYR  60   9.201   3.529   9.220
  467    HA   TYR  60           HA       TYR  60  10.452   6.210   8.659
  468    HB2  TYR  60           1HB      TYR  60   9.464   4.114   6.709
  469    HB3  TYR  60           2HB      TYR  60  10.197   5.646   6.282
  470    HD1  TYR  60           2HD      TYR  60  12.605   5.906   7.864
  471    HD2  TYR  60           1HD      TYR  60  10.858   2.324   6.219
  472    HE1  TYR  60           2HE      TYR  60  14.808   4.765   8.007
  473    HE2  TYR  60           1HE      TYR  60  13.053   1.175   6.373
  474    HH   TYR  60           HH       TYR  60  15.268   1.354   6.984
  475    H    TRP  61           H        TRP  61   7.323   4.467   8.526
  476    HA   TRP  61           HA       TRP  61   6.025   7.079   7.775
  477    HB2  TRP  61           1HB      TRP  61   5.411   4.388   6.602
  478    HB3  TRP  61           2HB      TRP  61   4.750   5.926   6.097
  479    HD1  TRP  61           HD       TRP  61   7.097   3.436   5.062
  480    HE1  TRP  61           1HE      TRP  61   8.777   4.298   3.326
  481    HE3  TRP  61           3HE      TRP  61   6.244   8.461   5.548
  482    HZ2  TRP  61           2HZ      TRP  61   9.504   6.839   2.150
  483    HZ3  TRP  61           3HZ      TRP  61   7.321  10.066   4.008
  484    HH2  TRP  61           HH       TRP  61   8.970   9.275   2.315
  485    H    CYS  62           H        CYS  62   5.334   3.766   9.073
  486    HA   CYS  62           HA       CYS  62   3.170   5.014  10.727
  487    HB2  CYS  62           1HB      CYS  62   2.464   2.640  11.124
  488    HB3  CYS  62           2HB      CYS  62   2.202   3.254   9.505
  489    H    SER  63           H        SER  63   2.978   4.117  12.940
  490    HA   SER  63           HA       SER  63   5.658   3.644  14.206
  491    HB2  SER  63           1HB      SER  63   4.151   5.813  14.551
  492    HB3  SER  63           2HB      SER  63   3.313   4.769  15.695
  493    HG   SER  63           HG       SER  63   5.001   5.733  16.817
  494    H    LYS  64           H        LYS  64   5.921   2.040  15.659
  495    HA   LYS  64           HA       LYS  64   3.849  -0.067  15.708
  496    HB2  LYS  64           1HB      LYS  64   5.636  -1.503  16.559
  497    HB3  LYS  64           2HB      LYS  64   6.011  -0.774  15.010
  498    HG2  LYS  64           1HG      LYS  64   7.663   0.623  15.892
  499    HG3  LYS  64           2HG      LYS  64   6.936   0.672  17.499
  500    HD2  LYS  64           1HD      LYS  64   7.613  -1.558  18.015
  501    HD3  LYS  64           2HD      LYS  64   8.258  -1.836  16.378
  502    HE2  LYS  64           1HE      LYS  64   9.170   0.552  17.970
  503    HE3  LYS  64           2HE      LYS  64   9.812  -1.035  18.433
  504    HZ1  LYS  64           3HZ      LYS  64  11.186   0.196  16.750
  505    HZ2  LYS  64           1HZ      LYS  64  10.745  -1.304  16.273
  506    HZ3  LYS  64           2HZ      LYS  64   9.980  -0.013  15.647
  507    H    GLY  65           H        GLY  65   4.657   2.366  17.877
  508    HA2  GLY  65           1HA      GLY  65   4.335   0.897  20.391
  509    HA3  GLY  65           2HA      GLY  65   4.405   2.652  20.182
  510    H    ALA  66           H        ALA  66   2.688   2.468  21.901
  511    HA   ALA  66           HA       ALA  66   0.067   1.428  21.206
  512    HB1  ALA  66           1HB      ALA  66   0.979   1.466  23.513
  513    HB2  ALA  66           2HB      ALA  66   0.967   3.247  23.488
  514    HB3  ALA  66           3HB      ALA  66  -0.558   2.341  23.405
  515    H    SER  67           H        SER  67   1.526   4.177  20.050
  516    HA   SER  67           HA       SER  67  -1.034   5.556  19.454
  517    HB2  SER  67           1HB      SER  67   1.414   6.842  20.731
  518    HB3  SER  67           2HB      SER  67   0.066   7.741  20.023
  519    HG   SER  67           HG       SER  67  -0.143   7.485  22.312
  520    HA   PRO  68           HA       PRO  68   1.128   6.266  15.524
  521    HB2  PRO  68           1HB      PRO  68  -0.241   8.402  14.535
  522    HB3  PRO  68           2HB      PRO  68  -0.990   6.777  14.679
  523    HG2  PRO  68           1HG      PRO  68  -1.223   9.098  16.617
  524    HG3  PRO  68           2HG      PRO  68  -2.543   8.118  15.898
  525    HD2  PRO  68           1HD      PRO  68  -1.528   7.571  18.359
  526    HD3  PRO  68           2HD      PRO  68  -2.027   6.257  17.252
  527    H    GLY  69           H        GLY  69   2.517   7.984  14.501
  528    HA2  GLY  69           1HA      GLY  69   3.235  10.447  15.523
  529    HA3  GLY  69           2HA      GLY  69   4.081   9.337  16.587
  530    H    LYS  70           H        LYS  70   3.575  10.186  13.212
  531    HA   LYS  70           HA       LYS  70   6.393   9.991  12.456
  532    HB2  LYS  70           1HB      LYS  70   4.252   8.149  11.280
  533    HB3  LYS  70           2HB      LYS  70   5.782   8.458  10.468
  534    HG2  LYS  70           1HG      LYS  70   5.447   7.077  13.122
  535    HG3  LYS  70           2HG      LYS  70   5.767   6.342  11.561
  536    HD2  LYS  70           1HD      LYS  70   7.937   7.343  11.392
  537    HD3  LYS  70           2HD      LYS  70   7.715   8.260  12.888
  538    HE2  LYS  70           1HE      LYS  70   7.648   5.212  12.751
  539    HE3  LYS  70           2HE      LYS  70   9.117   6.142  13.051
  540    HZ1  LYS  70           3HZ      LYS  70   8.168   5.493  15.138
  541    HZ2  LYS  70           1HZ      LYS  70   8.004   7.116  15.012
  542    HZ3  LYS  70           2HZ      LYS  70   6.712   6.140  14.798
  543    H    ASP  71           H        ASP  71   6.440  10.378   9.928
  544    HA   ASP  71           HA       ASP  71   5.329  12.947   9.354
  545    HB2  ASP  71           1HB      ASP  71   7.396  11.953   8.360
  546    HB3  ASP  71           2HB      ASP  71   6.389  10.857   7.413
  547    H    CYS  72           H        CYS  72   4.025   9.724   8.773
  548    HA   CYS  72           HA       CYS  72   1.678  10.817   7.297
  549    HB2  CYS  72           1HB      CYS  72   2.385   7.939   7.890
  550    HB3  CYS  72           2HB      CYS  72   1.174   8.532   6.768
  551    H    ASN  73           H        ASN  73   2.453  10.411  10.515
  552    HA   ASN  73           HA       ASN  73   1.320  10.213  12.448
  553    HB2  ASN  73           1HB      ASN  73   0.700  12.418  11.466
  554    HB3  ASN  73           2HB      ASN  73  -0.785  11.700  10.839
  555   HD21  ASN  73          2HD2      ASN  73  -2.065  13.190  12.131
  556   HD22  ASN  73          1HD2      ASN  73  -2.204  12.965  13.866
  557    H    VAL  74           H        VAL  74   1.222   7.781  11.630
  558    HA   VAL  74           HA       VAL  74  -1.462   6.748  12.272
  559    HB   VAL  74           HB       VAL  74  -1.395   7.127   9.815
  560   HG11  VAL  74          1HG1      VAL  74   1.010   6.663   9.389
  561   HG12  VAL  74          2HG1      VAL  74   0.726   4.944   9.739
  562   HG13  VAL  74          3HG1      VAL  74  -0.060   5.707   8.350
  563   HG21  VAL  74          3HG2      VAL  74  -2.331   5.006   9.188
  564   HG22  VAL  74          1HG2      VAL  74  -1.563   4.193  10.564
  565   HG23  VAL  74          2HG2      VAL  74  -2.837   5.404  10.839
  566    H    LYS  75           H        LYS  75  -1.530   4.648  12.987
  567    HA   LYS  75           HA       LYS  75   1.000   3.607  14.133
  568    HB2  LYS  75           1HB      LYS  75  -1.108   4.334  15.421
  569    HB3  LYS  75           2HB      LYS  75  -1.856   2.858  14.795
  570    HG2  LYS  75           1HG      LYS  75  -0.098   1.509  15.921
  571    HG3  LYS  75           2HG      LYS  75   0.665   3.005  16.487
  572    HD2  LYS  75           1HD      LYS  75  -0.598   2.083  18.289
  573    HD3  LYS  75           2HD      LYS  75  -1.398   3.559  17.790
  574    HE2  LYS  75           1HE      LYS  75  -2.335   0.946  16.597
  575    HE3  LYS  75           2HE      LYS  75  -2.629   1.204  18.317
  576    HZ1  LYS  75           3HZ      LYS  75  -4.499   1.971  17.018
  577    HZ2  LYS  75           1HZ      LYS  75  -3.818   3.251  17.768
  578    HZ3  LYS  75           2HZ      LYS  75  -3.601   3.003  16.154
  579    H    CYS  76           H        CYS  76   1.804   1.602  13.591
  580    HA   CYS  76           HA       CYS  76   1.261   0.196  11.242
  581    HB2  CYS  76           1HB      CYS  76   2.290  -0.922  13.884
  582    HB3  CYS  76           2HB      CYS  76   2.509  -1.648  12.297
  583    H    SER  77           H        SER  77  -0.224  -0.496  14.501
  584    HA   SER  77           HA       SER  77  -1.627  -2.784  13.744
  585    HB2  SER  77           1HB      SER  77  -2.820  -1.380  15.930
  586    HB3  SER  77           2HB      SER  77  -1.733  -2.790  15.942
  587    HG   SER  77           HG       SER  77  -0.828  -1.219  17.214
  588    H    ASP  78           H        ASP  78  -2.487   0.630  13.210
  589    HA   ASP  78           HA       ASP  78  -5.332   0.014  12.748
  590    HB2  ASP  78           1HB      ASP  78  -3.697   2.519  12.197
  591    HB3  ASP  78           2HB      ASP  78  -5.434   2.358  11.961
  592    H    LEU  79           H        LEU  79  -2.465  -0.496  11.013
  593    HA   LEU  79           HA       LEU  79  -3.706  -0.220   8.342
  594    HB2  LEU  79           1HB      LEU  79  -1.030  -1.500   8.943
  595    HB3  LEU  79           2HB      LEU  79  -1.610  -0.761   7.456
  596    HG   LEU  79           HG       LEU  79  -0.735   0.679   9.982
  597   HD11  LEU  79          1HD1      LEU  79   1.074  -0.173   8.574
  598   HD12  LEU  79          2HD1      LEU  79   0.344   0.569   7.137
  599   HD13  LEU  79          3HD1      LEU  79   0.988   1.590   8.437
  600   HD21  LEU  79          3HD2      LEU  79  -1.074   2.783   8.678
  601   HD22  LEU  79          1HD2      LEU  79  -1.916   1.837   7.441
  602   HD23  LEU  79          2HD2      LEU  79  -2.596   1.970   9.075
  603    H    LEU  80           H        LEU  80  -3.521  -2.599  10.799
  604    HA   LEU  80           HA       LEU  80  -3.814  -4.915   8.990
  605    HB2  LEU  80           1HB      LEU  80  -3.689  -4.776  12.022
  606    HB3  LEU  80           2HB      LEU  80  -3.616  -6.237  11.042
  607    HG   LEU  80           HG       LEU  80  -1.513  -4.045  11.143
  608   HD11  LEU  80          1HD1      LEU  80  -1.638  -5.477  13.154
  609   HD12  LEU  80          2HD1      LEU  80  -1.528  -6.932  12.138
  610   HD13  LEU  80          3HD1      LEU  80  -0.159  -5.814  12.245
  611   HD21  LEU  80          3HD2      LEU  80  -0.119  -5.604   9.770
  612   HD22  LEU  80          1HD2      LEU  80  -1.548  -6.630   9.526
  613   HD23  LEU  80          2HD2      LEU  80  -1.511  -4.967   8.893
  614    H    THR  81           H        THR  81  -5.965  -2.711   9.900
  615    HA   THR  81           HA       THR  81  -8.095  -4.397  11.006
  616    HB   THR  81           HB       THR  81  -7.537  -2.112  11.807
  617    HG1  THR  81           1HG      THR  81  -9.690  -1.677  12.170
  618   HG21  THR  81          3HG2      THR  81  -8.221  -0.168  10.677
  619   HG22  THR  81          1HG2      THR  81  -7.347  -1.087   9.445
  620   HG23  THR  81          2HG2      THR  81  -9.119  -1.072   9.430
  621    H    ASP  82           H        ASP  82 -10.345  -3.512   9.998
  622    HA   ASP  82           HA       ASP  82 -10.475  -5.032   7.464
  623    HB2  ASP  82           1HB      ASP  82 -12.695  -4.065   9.299
  624    HB3  ASP  82           2HB      ASP  82 -12.858  -5.212   7.969
  625    H    ASP  83           H        ASP  83  -9.622  -2.181   7.632
  626    HA   ASP  83           HA       ASP  83 -11.014  -1.145   5.262
  627    HB2  ASP  83           1HB      ASP  83 -12.425  -0.082   6.823
  628    HB3  ASP  83           2HB      ASP  83 -11.108   0.200   7.965
  629    H    ILE  84           H        ILE  84  -9.532  -0.463   3.926
  630    HA   ILE  84           HA       ILE  84  -6.741  -0.554   4.713
  631    HB   ILE  84           HB       ILE  84  -6.237  -0.559   2.399
  632   HG12  ILE  84          1HG1      ILE  84  -9.070   0.399   1.796
  633   HG13  ILE  84          2HG1      ILE  84  -7.614   1.390   1.738
  634   HG21  ILE  84          1HG2      ILE  84  -7.483  -2.569   3.329
  635   HG22  ILE  84          2HG2      ILE  84  -8.943  -1.957   2.551
  636   HG23  ILE  84          3HG2      ILE  84  -7.543  -2.417   1.572
  637   HD11  ILE  84          3HD1      ILE  84  -8.226   0.793  -0.487
  638   HD12  ILE  84          1HD1      ILE  84  -6.684   0.016  -0.069
  639   HD13  ILE  84          2HD1      ILE  84  -8.194  -0.938  -0.104
  640    H    THR  85           H        THR  85  -8.891   2.113   4.621
  641    HA   THR  85           HA       THR  85  -7.289   3.967   3.249
  642    HB   THR  85           HB       THR  85  -9.783   4.034   3.909
  643    HG1  THR  85           1HG      THR  85  -9.718   6.019   3.105
  644   HG21  THR  85          3HG2      THR  85 -10.379   5.601   5.609
  645   HG22  THR  85          1HG2      THR  85  -9.370   4.359   6.369
  646   HG23  THR  85          2HG2      THR  85  -8.679   5.954   5.993
  647    H    LYS  86           H        LYS  86  -6.925   3.074   6.629
  648    HA   LYS  86           HA       LYS  86  -5.204   5.312   7.312
  649    HB2  LYS  86           1HB      LYS  86  -5.537   2.510   8.456
  650    HB3  LYS  86           2HB      LYS  86  -4.279   3.600   9.003
  651    HG2  LYS  86           1HG      LYS  86  -5.946   3.979  10.547
  652    HG3  LYS  86           2HG      LYS  86  -6.025   5.358   9.477
  653    HD2  LYS  86           1HD      LYS  86  -8.233   4.625  10.113
  654    HD3  LYS  86           2HD      LYS  86  -8.032   4.395   8.374
  655    HE2  LYS  86           1HE      LYS  86  -7.650   1.968   8.726
  656    HE3  LYS  86           2HE      LYS  86  -7.677   2.205  10.476
  657    HZ1  LYS  86           3HZ      LYS  86  -9.816   1.414   9.712
  658    HZ2  LYS  86           1HZ      LYS  86 -10.008   2.944  10.250
  659    HZ3  LYS  86           2HZ      LYS  86  -9.983   2.632   8.640
  660    H    ALA  87           H        ALA  87  -4.621   2.305   5.552
  661    HA   ALA  87           HA       ALA  87  -1.702   2.807   5.395
  662    HB1  ALA  87           1HB      ALA  87  -2.705   0.480   5.652
  663    HB2  ALA  87           2HB      ALA  87  -3.366   0.655   4.015
  664    HB3  ALA  87           3HB      ALA  87  -1.606   0.687   4.283
  665    H    ALA  88           H        ALA  88  -4.608   2.937   3.300
  666    HA   ALA  88           HA       ALA  88  -3.217   3.598   0.923
  667    HB1  ALA  88           1HB      ALA  88  -5.619   2.718   1.257
  668    HB2  ALA  88           2HB      ALA  88  -6.075   4.425   1.527
  669    HB3  ALA  88           3HB      ALA  88  -5.350   3.916  -0.004
  670    H    LYS  89           H        LYS  89  -4.693   5.861   3.338
  671    HA   LYS  89           HA       LYS  89  -3.945   8.263   1.925
  672    HB2  LYS  89           1HB      LYS  89  -4.446   7.648   4.859
  673    HB3  LYS  89           2HB      LYS  89  -4.176   9.282   4.233
  674    HG2  LYS  89           1HG      LYS  89  -6.152   9.152   2.816
  675    HG3  LYS  89           2HG      LYS  89  -6.441   7.469   3.280
  676    HD2  LYS  89           1HD      LYS  89  -6.693   8.176   5.657
  677    HD3  LYS  89           2HD      LYS  89  -6.504   9.866   5.175
  678    HE2  LYS  89           1HE      LYS  89  -8.694   7.970   4.206
  679    HE3  LYS  89           2HE      LYS  89  -8.883   9.133   5.518
  680    HZ1  LYS  89           3HZ      LYS  89  -9.738  10.034   3.459
  681    HZ2  LYS  89           1HZ      LYS  89  -8.444  10.917   3.916
  682    HZ3  LYS  89           2HZ      LYS  89  -8.312   9.833   2.693
  683    H    CYS  90           H        CYS  90  -2.171   6.207   4.193
  684    HA   CYS  90           HA       CYS  90   0.178   7.923   4.417
  685    HB2  CYS  90           1HB      CYS  90  -0.419   6.295   6.112
  686    HB3  CYS  90           2HB      CYS  90  -0.295   4.970   4.956
  687    H    ALA  91           H        ALA  91  -0.742   5.202   2.256
  688    HA   ALA  91           HA       ALA  91   1.618   5.194   0.686
  689    HB1  ALA  91           1HB      ALA  91  -0.154   3.449   0.703
  690    HB2  ALA  91           2HB      ALA  91  -1.229   4.551  -0.168
  691    HB3  ALA  91           3HB      ALA  91   0.265   3.997  -0.937
  692    H    LYS  92           H        LYS  92  -1.360   7.306   0.270
  693    HA   LYS  92           HA       LYS  92  -0.276   8.702  -1.972
  694    HB2  LYS  92           1HB      LYS  92  -2.007   9.974   0.169
  695    HB3  LYS  92           2HB      LYS  92  -1.819  10.462  -1.505
  696    HG2  LYS  92           1HG      LYS  92  -3.318   8.088  -0.403
  697    HG3  LYS  92           2HG      LYS  92  -3.955   9.463  -1.229
  698    HD2  LYS  92           1HD      LYS  92  -2.368   7.164  -2.413
  699    HD3  LYS  92           2HD      LYS  92  -4.057   7.540  -2.670
  700    HE2  LYS  92           1HE      LYS  92  -1.702   9.230  -3.640
  701    HE3  LYS  92           2HE      LYS  92  -2.646   8.114  -4.625
  702    HZ1  LYS  92           3HZ      LYS  92  -3.397  10.402  -4.900
  703    HZ2  LYS  92           1HZ      LYS  92  -4.602   9.508  -4.261
  704    HZ3  LYS  92           2HZ      LYS  92  -3.753  10.538  -3.312
  705    H    LYS  93           H        LYS  93   0.160   9.360   1.532
  706    HA   LYS  93           HA       LYS  93   1.775  11.700   1.213
  707    HB2  LYS  93           1HB      LYS  93   0.613  10.973   3.314
  708    HB3  LYS  93           2HB      LYS  93   1.758   9.649   3.460
  709    HG2  LYS  93           1HG      LYS  93   2.386  11.386   4.981
  710    HG3  LYS  93           2HG      LYS  93   3.624  11.217   3.753
  711    HD2  LYS  93           1HD      LYS  93   3.303  13.538   4.273
  712    HD3  LYS  93           2HD      LYS  93   2.743  13.277   2.619
  713    HE2  LYS  93           1HE      LYS  93   0.396  13.251   3.383
  714    HE3  LYS  93           2HE      LYS  93   0.917  13.296   5.072
  715    HZ1  LYS  93           3HZ      LYS  93   0.250  15.490   4.296
  716    HZ2  LYS  93           1HZ      LYS  93   1.832  15.501   4.692
  717    HZ3  LYS  93           2HZ      LYS  93   1.384  15.483   3.118
  718    H    ILE  94           H        ILE  94   2.677   8.281   1.059
  719    HA   ILE  94           HA       ILE  94   5.547   8.846   0.743
  720    HB   ILE  94           HB       ILE  94   3.905   6.365   0.100
  721   HG12  ILE  94          1HG1      ILE  94   5.864   6.795   2.382
  722   HG13  ILE  94          2HG1      ILE  94   4.159   7.127   2.585
  723   HG21  ILE  94          1HG2      ILE  94   5.900   6.411  -1.290
  724   HG22  ILE  94          2HG2      ILE  94   6.903   6.933   0.074
  725   HG23  ILE  94          3HG2      ILE  94   6.214   5.286   0.032
  726   HD11  ILE  94          3HD1      ILE  94   4.588   4.925   3.436
  727   HD12  ILE  94          1HD1      ILE  94   3.617   4.767   1.966
  728   HD13  ILE  94          2HD1      ILE  94   5.360   4.412   1.928
  729    H    TYR  95           H        TYR  95   2.888   8.115  -1.582
  730    HA   TYR  95           HA       TYR  95   4.413   8.216  -3.927
  731    HB2  TYR  95           1HB      TYR  95   2.394   7.345  -4.303
  732    HB3  TYR  95           2HB      TYR  95   1.559   8.400  -3.181
  733    HD1  TYR  95           2HD      TYR  95   1.042  10.815  -3.860
  734    HD2  TYR  95           1HD      TYR  95   2.103   7.692  -6.637
  735    HE1  TYR  95           2HE      TYR  95   0.027  12.122  -5.717
  736    HE2  TYR  95           1HE      TYR  95   1.119   9.007  -8.499
  737    HH   TYR  95           HH       TYR  95   0.028  10.944  -9.108
  738    H    LYS  96           H        LYS  96   3.216  10.914  -2.056
  739    HA   LYS  96           HA       LYS  96   3.819  13.102  -3.784
  740    HB2  LYS  96           1HB      LYS  96   3.720  12.603  -0.796
  741    HB3  LYS  96           2HB      LYS  96   4.214  14.188  -1.410
  742    HG2  LYS  96           1HG      LYS  96   2.114  14.375  -2.710
  743    HG3  LYS  96           2HG      LYS  96   1.562  12.827  -2.068
  744    HD2  LYS  96           1HD      LYS  96   1.685  13.768   0.241
  745    HD3  LYS  96           2HD      LYS  96   2.172  15.330  -0.421
  746    HE2  LYS  96           1HE      LYS  96  -0.445  13.887  -1.085
  747    HE3  LYS  96           2HE      LYS  96  -0.284  15.120   0.167
  748    HZ1  LYS  96           3HZ      LYS  96  -1.090  16.095  -1.878
  749    HZ2  LYS  96           1HZ      LYS  96   0.389  16.704  -1.554
  750    HZ3  LYS  96           2HZ      LYS  96   0.203  15.575  -2.724
  751    H    ARG  97           H        ARG  97   6.034  10.985  -2.106
  752    HA   ARG  97           HA       ARG  97   8.376  12.742  -2.749
  753    HB2  ARG  97           1HB      ARG  97   8.257  10.321  -0.905
  754    HB3  ARG  97           2HB      ARG  97   9.609  11.426  -1.125
  755    HG2  ARG  97           1HG      ARG  97   6.924  12.070   0.171
  756    HG3  ARG  97           2HG      ARG  97   8.471  11.844   0.985
  757    HD2  ARG  97           1HD      ARG  97   9.383  13.839  -0.188
  758    HD3  ARG  97           2HD      ARG  97   7.804  14.088  -0.965
  759    HE   ARG  97           HE       ARG  97   7.466  13.904   1.867
  760   HH11  ARG  97          1HH1      ARG  97   8.690  16.204  -0.530
  761   HH12  ARG  97          2HH1      ARG  97   8.350  17.576   0.481
  762   HH21  ARG  97          1HH2      ARG  97   7.064  15.715   3.122
  763   HH22  ARG  97          2HH2      ARG  97   7.440  17.300   2.520
  764    H    HIS  98           H        HIS  98   7.126   9.419  -2.980
  765    HA   HIS  98           HA       HIS  98   8.710   8.872  -5.442
  766    HB2  HIS  98           1HB      HIS  98   8.724   7.177  -2.915
  767    HB3  HIS  98           2HB      HIS  98   9.423   6.696  -4.460
  768    HD2  HIS  98           2HD      HIS  98  10.231   8.476  -1.275
  769    HE1  HIS  98           1HE      HIS  98  13.498   9.334  -3.869
  770    HE2  HIS  98           2HE      HIS  98  12.667   9.461  -1.463
  771    H    ARG  99           H        ARG  99   6.836   8.785  -6.686
  772    HA   ARG  99           HA       ARG  99   4.340   7.996  -6.056
  773    HB2  ARG  99           1HB      ARG  99   3.823   7.742  -8.335
  774    HB3  ARG  99           2HB      ARG  99   4.716   9.207  -7.922
  775    HG2  ARG  99           1HG      ARG  99   6.791   8.239  -8.889
  776    HG3  ARG  99           2HG      ARG  99   5.904   6.736  -9.279
  777    HD2  ARG  99           1HD      ARG  99   4.247   8.065 -10.518
  778    HD3  ARG  99           2HD      ARG  99   5.167   9.536 -10.170
  779    HE   ARG  99           HE       ARG  99   6.962   7.739 -11.401
  780   HH11  ARG  99          1HH1      ARG  99   4.040   9.464 -12.408
  781   HH12  ARG  99          2HH1      ARG  99   4.511   9.470 -14.080
  782   HH21  ARG  99          1HH2      ARG  99   7.509   7.785 -13.576
  783   HH22  ARG  99          2HH2      ARG  99   6.449   8.536 -14.729
  784    H    PHE 100           H        PHE 100   6.775   5.725  -7.289
  785    HA   PHE 100           HA       PHE 100   5.214   3.449  -6.175
  786    HB2  PHE 100           1HB      PHE 100   6.407   3.425  -8.960
  787    HB3  PHE 100           2HB      PHE 100   5.535   2.130  -8.143
  788    HD1  PHE 100           1HD      PHE 100   3.088   2.683  -7.345
  789    HD2  PHE 100           2HD      PHE 100   5.187   4.762 -10.484
  790    HE1  PHE 100           1HE      PHE 100   0.936   3.466  -8.263
  791    HE2  PHE 100           2HE      PHE 100   3.022   5.569 -11.392
  792    HZ   PHE 100           HZ       PHE 100   0.891   4.919 -10.280
  793    H    ASP 101           H        ASP 101   8.318   4.903  -6.886
  794    HA   ASP 101           HA       ASP 101   9.950   2.592  -6.825
  795    HB2  ASP 101           1HB      ASP 101  10.508   4.784  -7.842
  796    HB3  ASP 101           2HB      ASP 101  10.638   5.495  -6.233
  797    H    ALA 102           H        ALA 102   8.446   4.181  -4.167
  798    HA   ALA 102           HA       ALA 102  10.309   3.403  -2.077
  799    HB1  ALA 102           1HB      ALA 102   8.741   5.251  -1.765
  800    HB2  ALA 102           2HB      ALA 102   7.355   4.161  -2.015
  801    HB3  ALA 102           3HB      ALA 102   8.398   3.974  -0.592
  802    H    TRP 103           H        TRP 103   8.246   1.531  -4.033
  803    HA   TRP 103           HA       TRP 103   8.176  -0.709  -2.045
  804    HB2  TRP 103           1HB      TRP 103   6.245   0.032  -4.277
  805    HB3  TRP 103           2HB      TRP 103   6.167  -1.455  -3.344
  806    HD1  TRP 103           HD       TRP 103   5.482  -1.293  -0.780
  807    HE1  TRP 103           1HE      TRP 103   4.005   0.335   0.480
  808    HE3  TRP 103           3HE      TRP 103   5.676   2.635  -4.052
  809    HZ2  TRP 103           2HZ      TRP 103   2.920   3.011   0.077
  810    HZ3  TRP 103           3HZ      TRP 103   4.402   4.711  -3.599
  811    HH2  TRP 103           HH       TRP 103   2.984   4.894  -1.567
  812    H    TYR 104           H        TYR 104   9.301  -2.392  -2.464
  813    HA   TYR 104           HA       TYR 104  10.990  -2.446  -4.765
  814    HB2  TYR 104           1HB      TYR 104  11.492  -3.216  -2.391
  815    HB3  TYR 104           2HB      TYR 104  10.584  -4.682  -2.757
  816    HD1  TYR 104           1HD      TYR 104  13.448  -2.556  -3.771
  817    HD2  TYR 104           2HD      TYR 104  11.597  -6.424  -4.109
  818    HE1  TYR 104           1HE      TYR 104  15.494  -3.427  -4.933
  819    HE2  TYR 104           2HE      TYR 104  13.624  -7.309  -5.269
  820    HH   TYR 104           HH       TYR 104  15.732  -6.829  -6.062
  821    H    GLY 105           H        GLY 105   7.998  -4.216  -4.006
  822    HA2  GLY 105           1HA      GLY 105   8.207  -6.262  -5.980
  823    HA3  GLY 105           2HA      GLY 105   6.703  -5.634  -5.264
  824    H    TRP 106           H        TRP 106   6.959  -2.916  -6.229
  825    HA   TRP 106           HA       TRP 106   5.872  -3.212  -8.850
  826    HB2  TRP 106           1HB      TRP 106   5.148  -1.418  -7.489
  827    HB3  TRP 106           2HB      TRP 106   6.783  -0.801  -7.276
  828    HD1  TRP 106           HD       TRP 106   3.902  -0.812  -9.774
  829    HE1  TRP 106           1HE      TRP 106   4.387   0.851 -11.672
  830    HE3  TRP 106           3HE      TRP 106   8.675   0.477  -8.494
  831    HZ2  TRP 106           2HZ      TRP 106   6.598   2.523 -12.532
  832    HZ3  TRP 106           3HZ      TRP 106   9.971   2.062  -9.870
  833    HH2  TRP 106           HH       TRP 106   8.944   3.104 -11.896
  834    H    LYS 107           H        LYS 107   9.109  -2.079  -7.803
  835    HA   LYS 107           HA       LYS 107  10.046  -1.866 -10.568
  836    HB2  LYS 107           1HB      LYS 107  12.213  -1.299  -9.573
  837    HB3  LYS 107           2HB      LYS 107  10.879  -0.280  -9.052
  838    HG2  LYS 107           1HG      LYS 107  10.733  -1.642  -6.935
  839    HG3  LYS 107           2HG      LYS 107  12.226  -2.467  -7.417
  840    HD2  LYS 107           1HD      LYS 107  11.827   0.517  -6.916
  841    HD3  LYS 107           2HD      LYS 107  12.607  -0.617  -5.809
  842    HE2  LYS 107           1HE      LYS 107  14.437  -1.002  -7.400
  843    HE3  LYS 107           2HE      LYS 107  13.629   0.000  -8.617
  844    HZ1  LYS 107           3HZ      LYS 107  15.323   1.267  -7.462
  845    HZ2  LYS 107           1HZ      LYS 107  13.842   1.898  -7.150
  846    HZ3  LYS 107           2HZ      LYS 107  14.613   1.004  -6.010
  847    H    ASN 108           H        ASN 108   9.698  -4.531  -8.488
  848    HA   ASN 108           HA       ASN 108  11.732  -6.165  -9.858
  849    HB2  ASN 108           1HB      ASN 108  11.367  -6.394  -7.447
  850    HB3  ASN 108           2HB      ASN 108   9.677  -6.826  -7.720
  851   HD21  ASN 108          2HD2      ASN 108   9.219  -9.009  -7.940
  852   HD22  ASN 108          1HD2      ASN 108  10.439 -10.235  -8.237
  853    H    HIS 109           H        HIS 109   8.140  -5.885  -9.872
  854    HA   HIS 109           HA       HIS 109   8.085  -7.846 -12.138
  855    HB2  HIS 109           1HB      HIS 109   6.990  -9.306 -10.937
  856    HB3  HIS 109           2HB      HIS 109   7.321  -8.351  -9.508
  857    HD2  HIS 109           2HD      HIS 109   5.275  -6.410  -8.945
  858    HE1  HIS 109           1HE      HIS 109   2.220  -8.841 -10.621
  859    HE2  HIS 109           2HE      HIS 109   2.698  -6.836  -9.113
  860    H    CYS 110           H        CYS 110   6.532  -4.868 -10.960
  861    HA   CYS 110           HA       CYS 110   4.399  -4.970 -12.944
  862    HB2  CYS 110           1HB      CYS 110   5.481  -2.589 -11.399
  863    HB3  CYS 110           2HB      CYS 110   3.993  -2.638 -12.315
  864    H    GLN 111           H        GLN 111   7.698  -4.396 -13.348
  865    HA   GLN 111           HA       GLN 111   7.559  -2.393 -15.467
  866    HB2  GLN 111           1HB      GLN 111   9.835  -4.307 -14.804
  867    HB3  GLN 111           2HB      GLN 111   9.935  -2.794 -15.700
  868    HG2  GLN 111           1HG      GLN 111   9.399  -3.142 -12.721
  869    HG3  GLN 111           2HG      GLN 111  10.839  -2.482 -13.472
  870   HE21  GLN 111          2HE2      GLN 111   8.049  -1.555 -11.858
  871   HE22  GLN 111          1HE2      GLN 111   7.997   0.096 -12.460
  872    H    GLY 112           H        GLY 112   7.229  -5.891 -15.386
  873    HA2  GLY 112           1HA      GLY 112   7.877  -6.252 -18.243
  874    HA3  GLY 112           2HA      GLY 112   7.393  -7.496 -17.069
  875    H    SER 113           H        SER 113   4.963  -6.219 -16.201
  876    HA   SER 113           HA       SER 113   3.118  -5.706 -18.357
  877    HB2  SER 113           1HB      SER 113   3.371  -8.526 -17.262
  878    HB3  SER 113           2HB      SER 113   1.799  -7.894 -17.748
  879    HG   SER 113           HG       SER 113   4.077  -7.881 -19.457
  880    H    LEU 114           H        LEU 114   1.002  -5.242 -17.585
  881    HA   LEU 114           HA       LEU 114   0.583  -5.232 -14.634
  882    HB2  LEU 114           1HB      LEU 114  -0.275  -3.255 -16.791
  883    HB3  LEU 114           2HB      LEU 114  -0.848  -3.208 -15.132
  884    HG   LEU 114           HG       LEU 114   2.091  -2.916 -15.909
  885   HD11  LEU 114          1HD1      LEU 114   0.702  -1.109 -16.835
  886   HD12  LEU 114          2HD1      LEU 114   0.030  -0.791 -15.215
  887   HD13  LEU 114          3HD1      LEU 114   1.761  -0.524 -15.539
  888   HD21  LEU 114          3HD2      LEU 114   2.259  -1.933 -13.598
  889   HD22  LEU 114          1HD2      LEU 114   0.593  -2.456 -13.287
  890   HD23  LEU 114          2HD2      LEU 114   1.866  -3.658 -13.595
  891    HA   PRO 115           HA       PRO 115  -3.182  -7.503 -15.597
  892    HB2  PRO 115           1HB      PRO 115  -4.744  -6.949 -13.453
  893    HB3  PRO 115           2HB      PRO 115  -3.256  -7.942 -13.311
  894    HG2  PRO 115           1HG      PRO 115  -3.585  -4.979 -12.724
  895    HG3  PRO 115           2HG      PRO 115  -2.818  -6.235 -11.695
  896    HD2  PRO 115           1HD      PRO 115  -1.369  -4.615 -13.356
  897    HD3  PRO 115           2HD      PRO 115  -0.911  -6.326 -13.067
  898    H    ASP 116           H        ASP 116  -5.295  -7.134 -16.408
  899    HA   ASP 116           HA       ASP 116  -5.977  -4.373 -17.157
  900    HB2  ASP 116           1HB      ASP 116  -6.262  -6.181 -18.779
  901    HB3  ASP 116           2HB      ASP 116  -7.378  -7.010 -17.688
  902    H    ILE 117           H        ILE 117  -7.784  -3.331 -16.594
  903    HA   ILE 117           HA       ILE 117  -9.367  -4.146 -14.182
  904    HB   ILE 117           HB       ILE 117  -9.197  -1.846 -13.330
  905   HG12  ILE 117          1HG1      ILE 117  -7.079  -1.363 -15.482
  906   HG13  ILE 117          2HG1      ILE 117  -8.741  -0.784 -15.594
  907   HG21  ILE 117          1HG2      ILE 117  -7.636  -3.629 -12.534
  908   HG22  ILE 117          2HG2      ILE 117  -6.420  -3.053 -13.692
  909   HG23  ILE 117          3HG2      ILE 117  -6.974  -1.999 -12.376
  910   HD11  ILE 117          3HD1      ILE 117  -7.350   0.990 -14.825
  911   HD12  ILE 117          1HD1      ILE 117  -8.441   0.501 -13.508
  912   HD13  ILE 117          2HD1      ILE 117  -6.726  -0.004 -13.492
  913    H    SER 118           H        SER 118  -9.523  -3.305 -17.379
  914    HA   SER 118           HA       SER 118 -11.507  -1.305 -17.514
  915    HB2  SER 118           1HB      SER 118 -11.063  -3.545 -19.521
  916    HB3  SER 118           2HB      SER 118 -11.792  -1.963 -19.825
  917    HG   SER 118           HG       SER 118  -9.088  -2.634 -19.296
  918    H    SER 119           H        SER 119 -12.011  -4.557 -16.507
  919    HA   SER 119           HA       SER 119 -14.908  -4.609 -17.089
  920    HB2  SER 119           1HB      SER 119 -14.718  -6.811 -15.907
  921    HB3  SER 119           2HB      SER 119 -13.713  -6.663 -17.359
  922    HG   SER 119           HG       SER 119 -12.565  -7.598 -15.578
  923    H    CYS 120           H        CYS 120 -12.919  -3.285 -14.658
  924    HA   CYS 120           HA       CYS 120 -14.738  -3.782 -12.397
  925    HB2  CYS 120           1HB      CYS 120 -12.149  -2.218 -12.546
  926    HB3  CYS 120           2HB      CYS 120 -12.973  -2.753 -11.085
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  -8.474  -8.555  10.593
    2    H2   GLY   1           2H       GLY   1  -7.053  -9.109   9.976
    3    H3   GLY   1           3H       GLY   1  -7.099  -7.663  10.748
    4    HA2  GLY   1           1HA      GLY   1  -8.424  -6.673   9.050
    5    HA3  GLY   1           2HA      GLY   1  -6.945  -7.380   8.378
    6    H    LYS   2           H        LYS   2  -7.781  -7.646   6.345
    7    HA   LYS   2           HA       LYS   2  -9.532  -9.919   5.772
    8    HB2  LYS   2           1HB      LYS   2 -11.240  -8.621   4.647
    9    HB3  LYS   2           2HB      LYS   2 -11.125  -8.085   6.322
   10    HG2  LYS   2           1HG      LYS   2  -9.768  -6.121   5.616
   11    HG3  LYS   2           2HG      LYS   2  -9.877  -6.644   3.933
   12    HD2  LYS   2           1HD      LYS   2 -12.259  -5.896   5.672
   13    HD3  LYS   2           2HD      LYS   2 -11.439  -4.823   4.525
   14    HE2  LYS   2           1HE      LYS   2 -11.986  -6.355   2.658
   15    HE3  LYS   2           2HE      LYS   2 -12.831  -7.432   3.782
   16    HZ1  LYS   2           3HZ      LYS   2 -14.370  -5.933   2.659
   17    HZ2  LYS   2           1HZ      LYS   2 -14.376  -5.623   4.263
   18    HZ3  LYS   2           2HZ      LYS   2 -13.596  -4.616   3.240
   19    H    THR   3           H        THR   3  -9.800 -10.248   3.413
   20    HA   THR   3           HA       THR   3  -7.462  -9.250   1.838
   21    HB   THR   3           HB       THR   3  -8.758 -11.958   1.464
   22    HG1  THR   3           1HG      THR   3  -6.633 -11.192   3.190
   23   HG21  THR   3          3HG2      THR   3  -6.525 -12.480   0.467
   24   HG22  THR   3          1HG2      THR   3  -7.371 -11.193  -0.404
   25   HG23  THR   3          2HG2      THR   3  -6.044 -10.784   0.700
   26    H    PHE   4           H        PHE   4  -7.797  -8.448  -0.109
   27    HA   PHE   4           HA       PHE   4 -10.586  -8.209  -1.138
   28    HB2  PHE   4           1HB      PHE   4  -8.060  -6.588  -1.680
   29    HB3  PHE   4           2HB      PHE   4  -9.568  -6.317  -2.491
   30    HD1  PHE   4           1HD      PHE   4  -8.020  -6.255   0.948
   31    HD2  PHE   4           2HD      PHE   4 -11.271  -4.931  -1.577
   32    HE1  PHE   4           1HE      PHE   4  -8.857  -4.804   2.761
   33    HE2  PHE   4           2HE      PHE   4 -12.111  -3.513   0.254
   34    HZ   PHE   4           HZ       PHE   4 -10.912  -3.442   2.433
   35    H    THR   5           H        THR   5 -10.931  -8.238  -3.404
   36    HA   THR   5           HA       THR   5  -9.097  -9.919  -5.074
   37    HB   THR   5           HB       THR   5 -11.310 -10.938  -4.770
   38    HG1  THR   5           1HG      THR   5 -11.580 -11.246  -6.977
   39   HG21  THR   5          3HG2      THR   5 -13.296  -9.956  -5.844
   40   HG22  THR   5          1HG2      THR   5 -12.741  -8.919  -4.524
   41   HG23  THR   5          2HG2      THR   5 -12.397  -8.473  -6.210
   42    H    ARG   6           H        ARG   6  -9.024  -9.144  -7.406
   43    HA   ARG   6           HA       ARG   6  -7.909  -6.560  -7.318
   44    HB2  ARG   6           1HB      ARG   6  -7.341  -8.358  -8.937
   45    HB3  ARG   6           2HB      ARG   6  -8.821  -8.004  -9.836
   46    HG2  ARG   6           1HG      ARG   6  -8.044  -5.692 -10.253
   47    HG3  ARG   6           2HG      ARG   6  -6.605  -5.966  -9.260
   48    HD2  ARG   6           1HD      ARG   6  -7.294  -7.435 -11.836
   49    HD3  ARG   6           2HD      ARG   6  -6.151  -6.093 -11.695
   50    HE   ARG   6           HE       ARG   6  -5.022  -7.691  -9.913
   51   HH11  ARG   6          1HH1      ARG   6  -6.442  -8.856 -12.952
   52   HH12  ARG   6          2HH1      ARG   6  -5.364 -10.219 -13.015
   53   HH21  ARG   6          1HH2      ARG   6  -3.570  -9.281 -10.168
   54   HH22  ARG   6          2HH2      ARG   6  -3.757 -10.482 -11.431
   55    H    CYS   7           H        CYS   7 -11.101  -7.456  -8.761
   56    HA   CYS   7           HA       CYS   7 -11.802  -4.755  -9.455
   57    HB2  CYS   7           1HB      CYS   7 -14.057  -5.605  -9.749
   58    HB3  CYS   7           2HB      CYS   7 -12.876  -6.688 -10.473
   59    H    GLY   8           H        GLY   8 -12.046  -6.438  -6.381
   60    HA2  GLY   8           1HA      GLY   8 -13.720  -4.457  -5.045
   61    HA3  GLY   8           2HA      GLY   8 -12.701  -5.704  -4.276
   62    H    LEU   9           H        LEU   9 -10.167  -5.114  -5.102
   63    HA   LEU   9           HA       LEU   9  -9.394  -2.828  -3.601
   64    HB2  LEU   9           1HB      LEU   9  -8.011  -4.863  -4.029
   65    HB3  LEU   9           2HB      LEU   9  -7.880  -4.410  -5.732
   66    HG   LEU   9           HG       LEU   9  -6.754  -2.295  -5.064
   67   HD11  LEU   9          1HD1      LEU   9  -7.613  -1.913  -2.833
   68   HD12  LEU   9          2HD1      LEU   9  -6.978  -3.469  -2.270
   69   HD13  LEU   9          3HD1      LEU   9  -5.867  -2.138  -2.698
   70   HD21  LEU   9          3HD2      LEU   9  -4.617  -3.244  -4.569
   71   HD22  LEU   9          1HD2      LEU   9  -5.351  -4.707  -3.877
   72   HD23  LEU   9          2HD2      LEU   9  -5.469  -4.379  -5.624
   73    H    VAL  10           H        VAL  10  -9.574  -3.206  -7.188
   74    HA   VAL  10           HA       VAL  10  -8.776  -0.622  -7.954
   75    HB   VAL  10           HB       VAL  10 -10.907  -2.450  -9.123
   76   HG11  VAL  10          1HG1      VAL  10 -11.618  -0.303  -9.910
   77   HG12  VAL  10          2HG1      VAL  10  -9.960   0.225 -10.209
   78   HG13  VAL  10          3HG1      VAL  10 -10.696  -1.021 -11.229
   79   HG21  VAL  10          3HG2      VAL  10  -9.250  -2.863 -10.871
   80   HG22  VAL  10          1HG2      VAL  10  -8.138  -1.685 -10.145
   81   HG23  VAL  10          2HG2      VAL  10  -8.523  -3.190  -9.301
   82    H    HIS  11           H        HIS  11 -12.020  -1.653  -6.879
   83    HA   HIS  11           HA       HIS  11 -13.247   0.973  -7.034
   84    HB2  HIS  11           1HB      HIS  11 -14.024  -1.586  -5.587
   85    HB3  HIS  11           2HB      HIS  11 -15.001  -0.131  -5.587
   86    HD2  HIS  11           2HD      HIS  11 -13.588  -0.452  -9.024
   87    HE1  HIS  11           1HE      HIS  11 -17.345  -2.440  -9.187
   88    HE2  HIS  11           2HE      HIS  11 -15.451  -1.482 -10.583
   89    H    GLU  12           H        GLU  12 -11.800  -0.849  -4.316
   90    HA   GLU  12           HA       GLU  12 -12.460   0.991  -2.250
   91    HB2  GLU  12           1HB      GLU  12 -11.427  -1.490  -2.301
   92    HB3  GLU  12           2HB      GLU  12  -9.918  -0.620  -2.142
   93    HG2  GLU  12           1HG      GLU  12 -10.835  -1.373   0.005
   94    HG3  GLU  12           2HG      GLU  12 -10.711   0.395  -0.064
   95    H    LEU  13           H        LEU  13  -9.602   0.839  -4.361
   96    HA   LEU  13           HA       LEU  13  -8.319   3.180  -3.211
   97    HB2  LEU  13           1HB      LEU  13  -7.989   1.777  -5.876
   98    HB3  LEU  13           2HB      LEU  13  -6.848   2.936  -5.202
   99    HG   LEU  13           HG       LEU  13  -7.523   0.273  -3.943
  100   HD11  LEU  13          1HD1      LEU  13  -6.359   0.001  -6.058
  101   HD12  LEU  13          2HD1      LEU  13  -5.130   1.198  -5.568
  102   HD13  LEU  13          3HD1      LEU  13  -5.246  -0.364  -4.722
  103   HD21  LEU  13          3HD2      LEU  13  -5.575   0.659  -2.521
  104   HD22  LEU  13          1HD2      LEU  13  -5.371   2.288  -3.228
  105   HD23  LEU  13          2HD2      LEU  13  -6.806   1.893  -2.251
  106    H    ARG  14           H        ARG  14 -10.433   2.693  -6.051
  107    HA   ARG  14           HA       ARG  14 -10.412   5.397  -6.994
  108    HB2  ARG  14           1HB      ARG  14 -12.499   3.211  -7.118
  109    HB3  ARG  14           2HB      ARG  14 -12.829   4.821  -7.754
  110    HG2  ARG  14           1HG      ARG  14 -11.108   4.691  -9.391
  111    HG3  ARG  14           2HG      ARG  14 -10.413   3.232  -8.663
  112    HD2  ARG  14           1HD      ARG  14 -12.386   1.934  -9.192
  113    HD3  ARG  14           2HD      ARG  14 -13.221   3.375  -9.824
  114    HE   ARG  14           HE       ARG  14 -10.814   3.050 -11.263
  115   HH11  ARG  14          1HH1      ARG  14 -13.945   1.402 -10.948
  116   HH12  ARG  14          2HH1      ARG  14 -13.723   0.533 -12.455
  117   HH21  ARG  14          1HH2      ARG  14 -10.700   1.921 -13.275
  118   HH22  ARG  14          2HH2      ARG  14 -12.009   0.851 -13.708
  119    H    LYS  15           H        LYS  15 -12.427   3.925  -4.398
  120    HA   LYS  15           HA       LYS  15 -13.835   6.371  -3.713
  121    HB2  LYS  15           1HB      LYS  15 -13.221   3.822  -2.177
  122    HB3  LYS  15           2HB      LYS  15 -14.217   5.125  -1.530
  123    HG2  LYS  15           1HG      LYS  15 -15.837   4.889  -3.351
  124    HG3  LYS  15           2HG      LYS  15 -14.882   3.606  -4.090
  125    HD2  LYS  15           1HD      LYS  15 -16.180   3.493  -1.330
  126    HD3  LYS  15           2HD      LYS  15 -16.795   2.718  -2.800
  127    HE2  LYS  15           1HE      LYS  15 -14.712   1.361  -2.956
  128    HE3  LYS  15           2HE      LYS  15 -14.111   2.120  -1.477
  129    HZ1  LYS  15           3HZ      LYS  15 -15.061   0.002  -0.979
  130    HZ2  LYS  15           1HZ      LYS  15 -15.986   1.155  -0.285
  131    HZ3  LYS  15           2HZ      LYS  15 -16.515   0.399  -1.644
  132    H    HIS  16           H        HIS  16 -10.692   5.077  -2.770
  133    HA   HIS  16           HA       HIS  16 -10.324   7.080  -0.657
  134    HB2  HIS  16           1HB      HIS  16  -8.674   4.701  -1.594
  135    HB3  HIS  16           2HB      HIS  16  -8.220   5.762  -0.264
  136    HD2  HIS  16           2HD      HIS  16  -8.392   3.134   0.847
  137    HE1  HIS  16           1HE      HIS  16 -12.483   3.594   1.841
  138    HE2  HIS  16           2HE      HIS  16 -10.403   2.274   2.347
  139    H    GLY  17           H        GLY  17  -9.941   7.434  -3.889
  140    HA2  GLY  17           1HA      GLY  17  -9.210   9.450  -4.843
  141    HA3  GLY  17           2HA      GLY  17  -8.188   9.779  -3.427
  142    H    PHE  18           H        PHE  18  -8.127   6.795  -5.386
  143    HA   PHE  18           HA       PHE  18  -5.363   7.423  -6.317
  144    HB2  PHE  18           1HB      PHE  18  -6.962   4.881  -6.135
  145    HB3  PHE  18           2HB      PHE  18  -5.413   4.989  -6.947
  146    HD1  PHE  18           2HD      PHE  18  -6.924   5.810  -3.549
  147    HD2  PHE  18           1HD      PHE  18  -3.514   4.405  -5.764
  148    HE1  PHE  18           2HE      PHE  18  -5.720   5.449  -1.451
  149    HE2  PHE  18           1HE      PHE  18  -2.310   3.981  -3.637
  150    HZ   PHE  18           HZ       PHE  18  -3.404   4.492  -1.476
  151    H    GLU  19           H        GLU  19  -4.921   7.628  -8.500
  152    HA   GLU  19           HA       GLU  19  -7.147   8.425 -10.171
  153    HB2  GLU  19           1HB      GLU  19  -4.202   8.176 -10.869
  154    HB3  GLU  19           2HB      GLU  19  -5.434   9.024 -11.803
  155    HG2  GLU  19           1HG      GLU  19  -4.453   9.791  -9.028
  156    HG3  GLU  19           2HG      GLU  19  -4.014  10.560 -10.545
  157    H    GLU  20           H        GLU  20  -8.037   7.450 -11.943
  158    HA   GLU  20           HA       GLU  20  -7.944   4.654 -12.179
  159    HB2  GLU  20           1HB      GLU  20  -9.387   4.897 -14.096
  160    HB3  GLU  20           2HB      GLU  20  -9.868   5.999 -12.809
  161    HG2  GLU  20           1HG      GLU  20  -8.721   7.876 -14.023
  162    HG3  GLU  20           2HG      GLU  20  -8.308   6.757 -15.324
  163    H    ASN  21           H        ASN  21  -5.894   7.006 -13.842
  164    HA   ASN  21           HA       ASN  21  -4.899   5.038 -15.771
  165    HB2  ASN  21           1HB      ASN  21  -3.570   6.769 -16.639
  166    HB3  ASN  21           2HB      ASN  21  -5.145   7.475 -16.308
  167   HD21  ASN  21          2HD2      ASN  21  -2.201   8.553 -16.438
  168   HD22  ASN  21          1HD2      ASN  21  -2.093   9.507 -14.970
  169    H    LEU  22           H        LEU  22  -4.144   5.862 -12.497
  170    HA   LEU  22           HA       LEU  22  -1.469   4.516 -12.630
  171    HB2  LEU  22           1HB      LEU  22  -2.837   5.997 -10.350
  172    HB3  LEU  22           2HB      LEU  22  -1.206   5.336 -10.337
  173    HG   LEU  22           HG       LEU  22  -2.215   7.671 -11.984
  174   HD11  LEU  22          1HD1      LEU  22  -1.827   8.132  -9.593
  175   HD12  LEU  22          2HD1      LEU  22  -0.169   7.505  -9.735
  176   HD13  LEU  22          3HD1      LEU  22  -0.648   8.976 -10.609
  177   HD21  LEU  22          3HD2      LEU  22   0.138   7.988 -12.728
  178   HD22  LEU  22          1HD2      LEU  22   0.570   6.430 -11.995
  179   HD23  LEU  22          2HD2      LEU  22  -0.563   6.497 -13.364
  180    H    MET  23           H        MET  23  -4.754   3.898 -11.816
  181    HA   MET  23           HA       MET  23  -4.715   2.207  -9.700
  182    HB2  MET  23           1HB      MET  23  -6.636   3.076 -11.149
  183    HB3  MET  23           2HB      MET  23  -6.387   1.699 -12.189
  184    HG2  MET  23           1HG      MET  23  -8.218   1.321 -10.561
  185    HG3  MET  23           2HG      MET  23  -6.912   0.169 -10.304
  186    HE1  MET  23           3HE      MET  23  -8.007   3.804  -7.717
  187    HE2  MET  23           1HE      MET  23  -6.739   4.045  -8.943
  188    HE3  MET  23           2HE      MET  23  -8.368   3.545  -9.429
  189    H    ARG  24           H        ARG  24  -4.002   1.085 -13.057
  190    HA   ARG  24           HA       ARG  24  -3.538  -1.635 -12.535
  191    HB2  ARG  24           1HB      ARG  24  -2.032   0.173 -14.479
  192    HB3  ARG  24           2HB      ARG  24  -2.056  -1.596 -14.497
  193    HG2  ARG  24           1HG      ARG  24  -4.548  -1.513 -14.821
  194    HG3  ARG  24           2HG      ARG  24  -4.431   0.253 -14.947
  195    HD2  ARG  24           1HD      ARG  24  -4.491  -0.553 -17.172
  196    HD3  ARG  24           2HD      ARG  24  -2.811  -0.071 -16.868
  197    HE   ARG  24           HE       ARG  24  -3.272  -2.866 -16.253
  198   HH11  ARG  24          1HH1      ARG  24  -2.754  -0.770 -19.061
  199   HH12  ARG  24          2HH1      ARG  24  -2.208  -2.090 -20.049
  200   HH21  ARG  24          1HH2      ARG  24  -2.570  -4.501 -17.564
  201   HH22  ARG  24          2HH2      ARG  24  -2.096  -4.182 -19.206
  202    H    ASN  25           H        ASN  25  -1.124   1.044 -12.337
  203    HA   ASN  25           HA       ASN  25   1.087  -0.555 -11.473
  204    HB2  ASN  25           1HB      ASN  25   0.487   2.393 -10.924
  205    HB3  ASN  25           2HB      ASN  25   1.999   1.577 -10.579
  206   HD21  ASN  25          2HD2      ASN  25   3.069   3.165 -11.904
  207   HD22  ASN  25          1HD2      ASN  25   3.042   2.966 -13.649
  208    H    TRP  26           H        TRP  26  -1.407   1.261  -9.622
  209    HA   TRP  26           HA       TRP  26  -0.338   0.659  -7.052
  210    HB2  TRP  26           1HB      TRP  26  -3.036   1.617  -8.044
  211    HB3  TRP  26           2HB      TRP  26  -2.733   1.298  -6.344
  212    HD1  TRP  26           HD       TRP  26  -2.580   4.081  -8.678
  213    HE1  TRP  26           1HE      TRP  26  -1.323   6.058  -7.658
  214    HE3  TRP  26           3HE      TRP  26  -0.206   1.635  -4.862
  215    HZ2  TRP  26           2HZ      TRP  26   0.346   6.564  -5.325
  216    HZ3  TRP  26           3HZ      TRP  26   1.196   2.875  -3.252
  217    HH2  TRP  26           HH       TRP  26   1.470   5.345  -3.459
  218    H    VAL  27           H        VAL  27  -3.080  -0.987  -8.787
  219    HA   VAL  27           HA       VAL  27  -3.380  -2.882  -6.643
  220    HB   VAL  27           HB       VAL  27  -4.730  -4.271  -7.983
  221   HG11  VAL  27          1HG1      VAL  27  -5.633  -2.098  -7.164
  222   HG12  VAL  27          2HG1      VAL  27  -5.348  -1.409  -8.772
  223   HG13  VAL  27          3HG1      VAL  27  -6.472  -2.760  -8.574
  224   HG21  VAL  27          3HG2      VAL  27  -5.158  -3.886 -10.397
  225   HG22  VAL  27          1HG2      VAL  27  -3.801  -2.742 -10.435
  226   HG23  VAL  27          2HG2      VAL  27  -3.522  -4.458 -10.059
  227    H    CYS  28           H        CYS  28  -1.271  -2.945  -9.526
  228    HA   CYS  28           HA       CYS  28  -0.385  -5.654  -9.117
  229    HB2  CYS  28           1HB      CYS  28  -0.327  -4.310 -11.195
  230    HB3  CYS  28           2HB      CYS  28   1.008  -3.366 -10.570
  231    H    LEU  29           H        LEU  29   1.033  -2.518  -8.109
  232    HA   LEU  29           HA       LEU  29   3.225  -3.422  -6.571
  233    HB2  LEU  29           1HB      LEU  29   2.746  -1.121  -7.200
  234    HB3  LEU  29           2HB      LEU  29   1.296  -1.075  -6.228
  235    HG   LEU  29           HG       LEU  29   4.092  -1.358  -5.057
  236   HD11  LEU  29          1HD1      LEU  29   3.833   0.754  -6.325
  237   HD12  LEU  29          2HD1      LEU  29   2.317   1.099  -5.470
  238   HD13  LEU  29          3HD1      LEU  29   3.855   1.077  -4.595
  239   HD21  LEU  29          3HD2      LEU  29   2.950  -0.412  -2.992
  240   HD22  LEU  29          1HD2      LEU  29   1.391  -0.672  -3.790
  241   HD23  LEU  29          2HD2      LEU  29   2.447  -2.046  -3.381
  242    H    VAL  30           H        VAL  30  -0.129  -2.792  -5.438
  243    HA   VAL  30           HA       VAL  30   0.270  -3.759  -2.808
  244    HB   VAL  30           HB       VAL  30  -2.198  -3.427  -4.523
  245   HG11  VAL  30          1HG1      VAL  30  -2.844  -5.200  -2.991
  246   HG12  VAL  30          2HG1      VAL  30  -2.128  -4.321  -1.622
  247   HG13  VAL  30          3HG1      VAL  30  -3.563  -3.687  -2.462
  248   HG21  VAL  30          3HG2      VAL  30  -2.608  -1.514  -3.033
  249   HG22  VAL  30          1HG2      VAL  30  -1.196  -1.946  -2.043
  250   HG23  VAL  30          2HG2      VAL  30  -0.978  -1.384  -3.707
  251    H    GLU  31           H        GLU  31  -0.919  -5.582  -5.693
  252    HA   GLU  31           HA       GLU  31  -1.383  -8.030  -4.300
  253    HB2  GLU  31           1HB      GLU  31  -0.774  -7.347  -7.204
  254    HB3  GLU  31           2HB      GLU  31  -0.964  -9.025  -6.678
  255    HG2  GLU  31           1HG      GLU  31  -3.196  -8.656  -5.903
  256    HG3  GLU  31           2HG      GLU  31  -3.096  -6.917  -6.171
  257    H    HIS  32           H        HIS  32   1.629  -6.793  -5.813
  258    HA   HIS  32           HA       HIS  32   3.058  -9.253  -5.120
  259    HB2  HIS  32           1HB      HIS  32   3.772  -6.629  -6.381
  260    HB3  HIS  32           2HB      HIS  32   5.005  -7.843  -5.977
  261    HD2  HIS  32           2HD      HIS  32   3.178  -6.825  -8.866
  262    HE1  HIS  32           1HE      HIS  32   3.419 -11.036  -9.419
  263    HE2  HIS  32           2HE      HIS  32   2.896  -8.820 -10.565
  264    H    GLU  33           H        GLU  33   2.453  -6.263  -3.423
  265    HA   GLU  33           HA       GLU  33   4.629  -6.721  -1.485
  266    HB2  GLU  33           1HB      GLU  33   2.419  -4.659  -1.692
  267    HB3  GLU  33           2HB      GLU  33   3.444  -4.780  -0.275
  268    HG2  GLU  33           1HG      GLU  33   4.454  -4.294  -3.107
  269    HG3  GLU  33           2HG      GLU  33   4.208  -3.057  -1.881
  270    H    SER  34           H        SER  34   0.969  -6.712  -1.182
  271    HA   SER  34           HA       SER  34   1.336  -8.351   1.306
  272    HB2  SER  34           1HB      SER  34  -0.682  -7.310   2.106
  273    HB3  SER  34           2HB      SER  34   0.446  -6.043   1.602
  274    HG   SER  34           HG       SER  34  -0.940  -5.428   0.147
  275    H    SER  35           H        SER  35   0.183  -8.676  -1.858
  276    HA   SER  35           HA       SER  35  -1.254 -10.020  -2.946
  277    HB2  SER  35           1HB      SER  35  -1.687 -11.658  -0.438
  278    HB3  SER  35           2HB      SER  35  -2.010 -12.111  -2.112
  279    HG   SER  35           HG       SER  35  -0.046 -13.033  -1.441
  280    H    ARG  36           H        ARG  36  -2.159  -7.629  -1.374
  281    HA   ARG  36           HA       ARG  36  -3.991  -6.438  -1.028
  282    HB2  ARG  36           1HB      ARG  36  -5.948  -8.493  -1.985
  283    HB3  ARG  36           2HB      ARG  36  -5.962  -6.729  -2.097
  284    HG2  ARG  36           1HG      ARG  36  -4.183  -6.950  -3.905
  285    HG3  ARG  36           2HG      ARG  36  -4.438  -8.697  -3.815
  286    HD2  ARG  36           1HD      ARG  36  -7.034  -7.969  -4.008
  287    HD3  ARG  36           2HD      ARG  36  -6.339  -6.554  -4.763
  288    HE   ARG  36           HE       ARG  36  -5.693  -7.812  -6.588
  289   HH11  ARG  36          1HH1      ARG  36  -6.810 -10.128  -4.117
  290   HH12  ARG  36          2HH1      ARG  36  -6.605 -11.467  -5.210
  291   HH21  ARG  36          1HH2      ARG  36  -5.467  -9.488  -7.847
  292   HH22  ARG  36          2HH2      ARG  36  -5.926 -11.116  -7.363
  293    H    ASP  37           H        ASP  37  -2.970  -8.056   1.028
  294    HA   ASP  37           HA       ASP  37  -5.412  -8.762   2.641
  295    HB2  ASP  37           1HB      ASP  37  -4.119 -10.762   2.084
  296    HB3  ASP  37           2HB      ASP  37  -2.653 -10.014   2.715
  297    H    THR  38           H        THR  38  -5.805  -7.289   4.195
  298    HA   THR  38           HA       THR  38  -3.823  -5.310   4.904
  299    HB   THR  38           HB       THR  38  -5.362  -4.509   6.611
  300    HG1  THR  38           1HG      THR  38  -7.293  -5.458   6.923
  301   HG21  THR  38          3HG2      THR  38  -7.292  -3.932   5.189
  302   HG22  THR  38          1HG2      THR  38  -5.751  -3.719   4.353
  303   HG23  THR  38          2HG2      THR  38  -6.783  -5.133   3.988
  304    H    SER  39           H        SER  39  -4.708  -8.423   6.270
  305    HA   SER  39           HA       SER  39  -3.498  -8.060   8.859
  306    HB2  SER  39           1HB      SER  39  -4.126 -10.594   7.304
  307    HB3  SER  39           2HB      SER  39  -3.786 -10.493   9.032
  308    HG   SER  39           HG       SER  39  -6.062 -10.589   8.385
  309    H    LYS  40           H        LYS  40  -1.917  -8.275   5.869
  310    HA   LYS  40           HA       LYS  40   0.075 -10.230   6.539
  311    HB2  LYS  40           1HB      LYS  40  -0.813  -9.584   4.229
  312    HB3  LYS  40           2HB      LYS  40   0.155  -8.130   4.339
  313    HG2  LYS  40           1HG      LYS  40   1.363  -9.751   3.044
  314    HG3  LYS  40           2HG      LYS  40   2.225  -9.528   4.538
  315    HD2  LYS  40           1HD      LYS  40   2.145 -11.897   3.815
  316    HD3  LYS  40           2HD      LYS  40   1.423 -11.665   5.394
  317    HE2  LYS  40           1HE      LYS  40   0.069 -13.218   4.155
  318    HE3  LYS  40           2HE      LYS  40  -0.855 -11.737   4.388
  319    HZ1  LYS  40           3HZ      LYS  40  -1.022 -12.621   2.124
  320    HZ2  LYS  40           1HZ      LYS  40  -0.376 -11.126   2.086
  321    HZ3  LYS  40           2HZ      LYS  40   0.584 -12.444   1.885
  322    H    THR  41           H        THR  41   2.204 -10.053   7.027
  323    HA   THR  41           HA       THR  41   3.521  -7.490   7.576
  324    HB   THR  41           HB       THR  41   4.324  -8.496   9.840
  325    HG1  THR  41           1HG      THR  41   2.762  -9.821  10.825
  326   HG21  THR  41          3HG2      THR  41   2.494  -7.501  11.122
  327   HG22  THR  41          1HG2      THR  41   3.020  -6.464   9.806
  328   HG23  THR  41          2HG2      THR  41   1.502  -7.387   9.648
  329    H    ASN  42           H        ASN  42   5.720  -7.582   7.773
  330    HA   ASN  42           HA       ASN  42   7.170 -10.126   7.315
  331    HB2  ASN  42           1HB      ASN  42   7.011  -7.812   5.340
  332    HB3  ASN  42           2HB      ASN  42   8.385  -8.906   5.380
  333   HD21  ASN  42          2HD2      ASN  42   5.128  -8.519   4.250
  334   HD22  ASN  42          1HD2      ASN  42   5.019 -10.113   3.507
  335    H    THR  43           H        THR  43   8.953 -10.132   8.562
  336    HA   THR  43           HA       THR  43  10.012  -7.652   9.781
  337    HB   THR  43           HB       THR  43  10.948 -10.516  10.163
  338    HG1  THR  43           1HG      THR  43   9.463 -10.677  11.703
  339   HG21  THR  43          3HG2      THR  43  11.693  -9.618  12.385
  340   HG22  THR  43          1HG2      THR  43  12.544  -8.848  11.043
  341   HG23  THR  43          2HG2      THR  43  11.229  -7.984  11.865
  342    H    ASN  44           H        ASN  44  11.970  -6.777   9.404
  343    HA   ASN  44           HA       ASN  44  13.394  -7.646   6.931
  344    HB2  ASN  44           1HB      ASN  44  13.403  -4.986   8.397
  345    HB3  ASN  44           2HB      ASN  44  14.165  -5.315   6.841
  346   HD21  ASN  44          2HD2      ASN  44  11.670  -3.749   8.052
  347   HD22  ASN  44          1HD2      ASN  44  10.459  -3.966   6.774
  348    H    ARG  45           H        ARG  45  15.701  -7.333   6.815
  349    HA   ARG  45           HA       ARG  45  17.162  -8.622   8.917
  350    HB2  ARG  45           1HB      ARG  45  18.238  -7.021   6.556
  351    HB3  ARG  45           2HB      ARG  45  19.153  -8.151   7.562
  352    HG2  ARG  45           1HG      ARG  45  17.568  -9.989   6.846
  353    HG3  ARG  45           2HG      ARG  45  16.790  -8.825   5.764
  354    HD2  ARG  45           1HD      ARG  45  18.310 -10.116   4.447
  355    HD3  ARG  45           2HD      ARG  45  18.976  -8.480   4.599
  356    HE   ARG  45           HE       ARG  45  19.988 -10.235   6.664
  357   HH11  ARG  45          1HH1      ARG  45  20.454  -9.551   3.224
  358   HH12  ARG  45          2HH1      ARG  45  22.094 -10.131   3.237
  359   HH21  ARG  45          1HH2      ARG  45  22.110 -10.957   6.615
  360   HH22  ARG  45          2HH2      ARG  45  23.012 -10.920   5.131
  361    H    ASN  46           H        ASN  46  16.519  -5.272   8.314
  362    HA   ASN  46           HA       ASN  46  18.524  -4.246  10.179
  363    HB2  ASN  46           1HB      ASN  46  17.695  -3.179   7.987
  364    HB3  ASN  46           2HB      ASN  46  16.235  -2.736   8.868
  365   HD21  ASN  46          2HD2      ASN  46  16.972  -0.510   8.189
  366   HD22  ASN  46          1HD2      ASN  46  18.188   0.293   9.165
  367    H    GLY  47           H        GLY  47  15.811  -5.916  10.880
  368    HA2  GLY  47           1HA      GLY  47  14.883  -6.336  12.933
  369    HA3  GLY  47           2HA      GLY  47  15.678  -4.899  13.606
  370    H    SER  48           H        SER  48  13.979  -3.813  10.956
  371    HA   SER  48           HA       SER  48  11.631  -2.905  12.506
  372    HB2  SER  48           1HB      SER  48  11.194  -1.588  10.484
  373    HB3  SER  48           2HB      SER  48  12.832  -1.330  11.082
  374    HG   SER  48           HG       SER  48  13.243  -1.719   8.998
  375    H    LYS  49           H        LYS  49   9.487  -3.024  11.302
  376    HA   LYS  49           HA       LYS  49   9.143  -5.496   9.698
  377    HB2  LYS  49           1HB      LYS  49   8.599  -5.829  12.211
  378    HB3  LYS  49           2HB      LYS  49   7.186  -4.814  11.906
  379    HG2  LYS  49           1HG      LYS  49   6.556  -6.474  10.054
  380    HG3  LYS  49           2HG      LYS  49   7.832  -7.514  10.688
  381    HD2  LYS  49           1HD      LYS  49   5.327  -6.548  12.107
  382    HD3  LYS  49           2HD      LYS  49   5.662  -8.189  11.578
  383    HE2  LYS  49           1HE      LYS  49   7.282  -6.720  13.695
  384    HE3  LYS  49           2HE      LYS  49   5.907  -7.757  14.063
  385    HZ1  LYS  49           3HZ      LYS  49   8.044  -8.935  14.230
  386    HZ2  LYS  49           1HZ      LYS  49   7.067  -9.626  13.119
  387    HZ3  LYS  49           2HZ      LYS  49   8.327  -8.718  12.629
  388    H    ASP  50           H        ASP  50   7.514  -5.485   8.282
  389    HA   ASP  50           HA       ASP  50   6.354  -2.861   7.489
  390    HB2  ASP  50           1HB      ASP  50   6.696  -5.491   5.990
  391    HB3  ASP  50           2HB      ASP  50   5.987  -4.025   5.341
  392    H    TYR  51           H        TYR  51   4.144  -2.614   7.304
  393    HA   TYR  51           HA       TYR  51   2.319  -4.839   8.156
  394    HB2  TYR  51           1HB      TYR  51   2.450  -1.945   9.097
  395    HB3  TYR  51           2HB      TYR  51   1.193  -3.085   9.537
  396    HD1  TYR  51           2HD      TYR  51   4.802  -2.267   9.904
  397    HD2  TYR  51           1HD      TYR  51   1.483  -4.581  11.377
  398    HE1  TYR  51           2HE      TYR  51   6.085  -2.799  11.948
  399    HE2  TYR  51           1HE      TYR  51   2.755  -5.105  13.447
  400    HH   TYR  51           HH       TYR  51   4.717  -4.783  14.618
  401    H    GLY  52           H        GLY  52   0.171  -4.761   7.439
  402    HA2  GLY  52           1HA      GLY  52  -1.754  -3.930   6.435
  403    HA3  GLY  52           2HA      GLY  52  -0.944  -2.369   6.237
  404    H    LEU  53           H        LEU  53  -2.461  -2.708   4.282
  405    HA   LEU  53           HA       LEU  53  -1.817  -4.634   2.363
  406    HB2  LEU  53           1HB      LEU  53  -3.854  -2.759   2.744
  407    HB3  LEU  53           2HB      LEU  53  -2.980  -1.993   1.433
  408    HG   LEU  53           HG       LEU  53  -3.125  -4.455   0.353
  409   HD11  LEU  53          1HD1      LEU  53  -4.152  -5.450   2.338
  410   HD12  LEU  53          2HD1      LEU  53  -5.518  -4.311   2.217
  411   HD13  LEU  53          3HD1      LEU  53  -5.282  -5.505   0.960
  412   HD21  LEU  53          3HD2      LEU  53  -5.181  -3.859  -0.749
  413   HD22  LEU  53          1HD2      LEU  53  -5.520  -2.602   0.477
  414   HD23  LEU  53          2HD2      LEU  53  -4.134  -2.421  -0.624
  415    H    PHE  54           H        PHE  54  -0.246  -1.581   2.738
  416    HA   PHE  54           HA       PHE  54   1.193  -1.935   0.145
  417    HB2  PHE  54           1HB      PHE  54   0.997   0.455   2.003
  418    HB3  PHE  54           2HB      PHE  54   1.878   0.415   0.489
  419    HD1  PHE  54           2HD      PHE  54  -1.550   0.188   1.958
  420    HD2  PHE  54           1HD      PHE  54   0.786   0.850  -1.598
  421    HE1  PHE  54           2HE      PHE  54  -3.587   0.908   0.771
  422    HE2  PHE  54           1HE      PHE  54  -1.259   1.619  -2.776
  423    HZ   PHE  54           HZ       PHE  54  -3.447   1.641  -1.610
  424    H    GLN  55           H        GLN  55   1.584  -3.155   3.116
  425    HA   GLN  55           HA       GLN  55   3.256  -3.731   4.496
  426    HB2  GLN  55           1HB      GLN  55   4.657  -3.905   1.800
  427    HB3  GLN  55           2HB      GLN  55   5.366  -4.532   3.281
  428    HG2  GLN  55           1HG      GLN  55   2.739  -5.452   2.058
  429    HG3  GLN  55           2HG      GLN  55   4.283  -6.302   2.027
  430   HE21  GLN  55          2HE2      GLN  55   1.408  -5.644   3.979
  431   HE22  GLN  55          1HE2      GLN  55   1.951  -6.532   5.375
  432    H    ILE  56           H        ILE  56   2.963  -1.438   5.222
  433    HA   ILE  56           HA       ILE  56   5.128   0.455   4.602
  434    HB   ILE  56           HB       ILE  56   2.737   0.801   6.467
  435   HG12  ILE  56          1HG1      ILE  56   3.080   1.335   3.472
  436   HG13  ILE  56          2HG1      ILE  56   1.895   0.241   4.220
  437   HG21  ILE  56          1HG2      ILE  56   4.605   2.391   6.763
  438   HG22  ILE  56          2HG2      ILE  56   4.482   2.847   5.048
  439   HG23  ILE  56          3HG2      ILE  56   3.152   3.170   6.189
  440   HD11  ILE  56          3HD1      ILE  56   0.655   2.121   3.549
  441   HD12  ILE  56          1HD1      ILE  56   0.874   2.339   5.300
  442   HD13  ILE  56          2HD1      ILE  56   1.883   3.245   4.136
  443    H    ASN  57           H        ASN  57   6.724   1.089   5.965
  444    HA   ASN  57           HA       ASN  57   7.333  -0.823   8.079
  445    HB2  ASN  57           1HB      ASN  57   8.851  -0.245   6.191
  446    HB3  ASN  57           2HB      ASN  57   9.011   1.384   6.874
  447   HD21  ASN  57          2HD2      ASN  57   9.741  -2.041   7.318
  448   HD22  ASN  57          1HD2      ASN  57  10.976  -1.786   8.556
  449    H    ASP  58           H        ASP  58   7.642  -0.485  10.151
  450    HA   ASP  58           HA       ASP  58   6.436   1.671  11.515
  451    HB2  ASP  58           1HB      ASP  58   6.983   0.565  13.483
  452    HB3  ASP  58           2HB      ASP  58   6.719  -0.710  12.302
  453    H    ARG  59           H        ARG  59   9.606   1.674  10.267
  454    HA   ARG  59           HA       ARG  59  10.675   3.517  12.324
  455    HB2  ARG  59           1HB      ARG  59  11.852   1.456  11.458
  456    HB3  ARG  59           2HB      ARG  59  12.055   2.279   9.913
  457    HG2  ARG  59           1HG      ARG  59  13.471   3.959  10.865
  458    HG3  ARG  59           2HG      ARG  59  13.078   3.475  12.517
  459    HD2  ARG  59           1HD      ARG  59  14.517   1.720  10.484
  460    HD3  ARG  59           2HD      ARG  59  15.334   2.713  11.704
  461    HE   ARG  59           HE       ARG  59  13.572   1.203  13.190
  462   HH11  ARG  59          1HH1      ARG  59  16.216   0.354  10.991
  463   HH12  ARG  59          2HH1      ARG  59  16.485  -1.176  11.791
  464   HH21  ARG  59          1HH2      ARG  59  14.022  -0.790  14.164
  465   HH22  ARG  59          2HH2      ARG  59  15.302  -1.784  13.524
  466    H    TYR  60           H        TYR  60   9.126   3.757   9.285
  467    HA   TYR  60           HA       TYR  60  10.404   6.418   8.692
  468    HB2  TYR  60           1HB      TYR  60   9.548   4.202   6.811
  469    HB3  TYR  60           2HB      TYR  60  10.231   5.732   6.315
  470    HD1  TYR  60           1HD      TYR  60  12.570   6.139   8.060
  471    HD2  TYR  60           2HD      TYR  60  11.031   2.444   6.455
  472    HE1  TYR  60           1HE      TYR  60  14.791   5.088   8.359
  473    HE2  TYR  60           2HE      TYR  60  13.249   1.379   6.777
  474    HH   TYR  60           HH       TYR  60  16.050   3.173   8.137
  475    H    TRP  61           H        TRP  61   7.290   4.716   8.667
  476    HA   TRP  61           HA       TRP  61   5.996   7.223   7.622
  477    HB2  TRP  61           1HB      TRP  61   5.365   4.418   6.719
  478    HB3  TRP  61           2HB      TRP  61   4.749   5.909   6.055
  479    HD1  TRP  61           HD       TRP  61   7.130   3.314   5.330
  480    HE1  TRP  61           1HE      TRP  61   8.767   4.004   3.476
  481    HE3  TRP  61           3HE      TRP  61   6.125   8.323   5.209
  482    HZ2  TRP  61           2HZ      TRP  61   9.416   6.406   2.000
  483    HZ3  TRP  61           3HZ      TRP  61   7.068   9.731   3.431
  484    HH2  TRP  61           HH       TRP  61   8.761   8.811   1.839
  485    H    CYS  62           H        CYS  62   5.155   3.957   8.901
  486    HA   CYS  62           HA       CYS  62   3.101   5.189  10.681
  487    HB2  CYS  62           1HB      CYS  62   2.453   2.806  11.085
  488    HB3  CYS  62           2HB      CYS  62   2.148   3.416   9.466
  489    H    SER  63           H        SER  63   3.000   4.050  12.896
  490    HA   SER  63           HA       SER  63   5.739   3.580  14.013
  491    HB2  SER  63           1HB      SER  63   4.312   5.824  14.465
  492    HB3  SER  63           2HB      SER  63   3.586   4.791  15.683
  493    HG   SER  63           HG       SER  63   5.430   5.771  16.585
  494    H    LYS  64           H        LYS  64   5.990   2.016  15.535
  495    HA   LYS  64           HA       LYS  64   3.973  -0.104  15.507
  496    HB2  LYS  64           1HB      LYS  64   5.767  -1.435  16.613
  497    HB3  LYS  64           2HB      LYS  64   6.215  -0.773  15.059
  498    HG2  LYS  64           1HG      LYS  64   7.652   0.862  16.011
  499    HG3  LYS  64           2HG      LYS  64   6.904   0.740  17.613
  500    HD2  LYS  64           1HD      LYS  64   7.834  -1.420  18.012
  501    HD3  LYS  64           2HD      LYS  64   8.448  -1.544  16.337
  502    HE2  LYS  64           1HE      LYS  64   9.893   0.425  16.720
  503    HE3  LYS  64           2HE      LYS  64   9.289   0.564  18.378
  504    HZ1  LYS  64           3HZ      LYS  64  11.414  -0.607  18.306
  505    HZ2  LYS  64           1HZ      LYS  64  10.254  -1.627  18.839
  506    HZ3  LYS  64           2HZ      LYS  64  10.813  -1.749  17.304
  507    H    GLY  65           H        GLY  65   4.590   2.352  17.774
  508    HA2  GLY  65           1HA      GLY  65   4.139   0.823  20.225
  509    HA3  GLY  65           2HA      GLY  65   4.237   2.579  20.064
  510    H    ALA  66           H        ALA  66   2.447   2.411  21.698
  511    HA   ALA  66           HA       ALA  66  -0.158   1.412  20.855
  512    HB1  ALA  66           1HB      ALA  66   0.627   1.352  23.203
  513    HB2  ALA  66           2HB      ALA  66   0.649   3.135  23.241
  514    HB3  ALA  66           3HB      ALA  66  -0.884   2.264  23.038
  515    H    SER  67           H        SER  67   1.432   4.226  19.981
  516    HA   SER  67           HA       SER  67  -1.096   5.650  19.291
  517    HB2  SER  67           1HB      SER  67   1.365   6.858  20.609
  518    HB3  SER  67           2HB      SER  67   0.032   7.791  19.916
  519    HG   SER  67           HG       SER  67  -0.195   7.477  22.200
  520    HA   PRO  68           HA       PRO  68   1.078   6.299  15.363
  521    HB2  PRO  68           1HB      PRO  68  -0.282   8.441  14.363
  522    HB3  PRO  68           2HB      PRO  68  -1.041   6.825  14.513
  523    HG2  PRO  68           1HG      PRO  68  -1.259   9.159  16.433
  524    HG3  PRO  68           2HG      PRO  68  -2.584   8.173  15.731
  525    HD2  PRO  68           1HD      PRO  68  -1.559   7.656  18.194
  526    HD3  PRO  68           2HD      PRO  68  -2.070   6.331  17.107
  527    H    GLY  69           H        GLY  69   2.563   7.918  14.365
  528    HA2  GLY  69           1HA      GLY  69   3.137  10.470  15.341
  529    HA3  GLY  69           2HA      GLY  69   3.972   9.413  16.455
  530    H    LYS  70           H        LYS  70   3.711   9.030  12.888
  531    HA   LYS  70           HA       LYS  70   6.528   9.942  12.577
  532    HB2  LYS  70           1HB      LYS  70   5.485   7.290  11.506
  533    HB3  LYS  70           2HB      LYS  70   6.972   8.077  10.967
  534    HG2  LYS  70           1HG      LYS  70   7.439   8.157  13.621
  535    HG3  LYS  70           2HG      LYS  70   6.352   6.759  13.569
  536    HD2  LYS  70           1HD      LYS  70   7.924   5.632  12.002
  537    HD3  LYS  70           2HD      LYS  70   8.890   7.108  11.911
  538    HE2  LYS  70           1HE      LYS  70  10.030   5.653  13.423
  539    HE3  LYS  70           2HE      LYS  70   9.339   6.978  14.363
  540    HZ1  LYS  70           3HZ      LYS  70   8.958   4.854  15.444
  541    HZ2  LYS  70           1HZ      LYS  70   7.503   5.445  14.984
  542    HZ3  LYS  70           2HZ      LYS  70   8.221   4.245  14.114
  543    H    ASP  71           H        ASP  71   6.743   9.554   9.833
  544    HA   ASP  71           HA       ASP  71   5.889  12.075   9.018
  545    HB2  ASP  71           1HB      ASP  71   7.792  10.761   8.104
  546    HB3  ASP  71           2HB      ASP  71   6.647   9.732   7.239
  547    H    CYS  72           H        CYS  72   4.017   9.130   8.744
  548    HA   CYS  72           HA       CYS  72   1.928  10.556   7.133
  549    HB2  CYS  72           1HB      CYS  72   2.342   7.598   7.588
  550    HB3  CYS  72           2HB      CYS  72   1.116   8.343   6.568
  551    H    ASN  73           H        ASN  73   2.555  10.179  10.300
  552    HA   ASN  73           HA       ASN  73   1.350  10.297  12.196
  553    HB2  ASN  73           1HB      ASN  73  -0.661  11.633  10.332
  554    HB3  ASN  73           2HB      ASN  73  -0.564  11.848  12.078
  555   HD21  ASN  73          2HD2      ASN  73   1.385  12.929  12.986
  556   HD22  ASN  73          1HD2      ASN  73   2.286  14.019  11.950
  557    H    VAL  74           H        VAL  74   1.180   7.780  11.363
  558    HA   VAL  74           HA       VAL  74  -1.489   6.829  12.195
  559    HB   VAL  74           HB       VAL  74  -1.536   7.170   9.735
  560   HG11  VAL  74          1HG1      VAL  74   0.844   6.673   9.225
  561   HG12  VAL  74          2HG1      VAL  74   0.556   4.961   9.605
  562   HG13  VAL  74          3HG1      VAL  74  -0.273   5.716   8.236
  563   HG21  VAL  74          3HG2      VAL  74  -2.558   5.085   9.161
  564   HG22  VAL  74          1HG2      VAL  74  -1.726   4.232  10.472
  565   HG23  VAL  74          2HG2      VAL  74  -2.959   5.461  10.841
  566    H    LYS  75           H        LYS  75  -1.539   4.636  12.800
  567    HA   LYS  75           HA       LYS  75   1.016   3.678  13.974
  568    HB2  LYS  75           1HB      LYS  75  -1.009   4.433  15.265
  569    HB3  LYS  75           2HB      LYS  75  -1.861   2.993  14.676
  570    HG2  LYS  75           1HG      LYS  75  -0.189   1.563  15.852
  571    HG3  LYS  75           2HG      LYS  75   0.705   3.026  16.319
  572    HD2  LYS  75           1HD      LYS  75  -0.579   2.478  18.212
  573    HD3  LYS  75           2HD      LYS  75  -1.406   3.845  17.476
  574    HE2  LYS  75           1HE      LYS  75  -2.947   2.057  16.379
  575    HE3  LYS  75           2HE      LYS  75  -2.170   0.910  17.493
  576    HZ1  LYS  75           3HZ      LYS  75  -4.165   1.754  18.497
  577    HZ2  LYS  75           1HZ      LYS  75  -2.907   2.400  19.331
  578    HZ3  LYS  75           2HZ      LYS  75  -3.737   3.309  18.257
  579    H    CYS  76           H        CYS  76   1.852   1.680  13.510
  580    HA   CYS  76           HA       CYS  76   1.339   0.236  11.176
  581    HB2  CYS  76           1HB      CYS  76   2.445  -0.791  13.826
  582    HB3  CYS  76           2HB      CYS  76   2.637  -1.569  12.262
  583    H    SER  77           H        SER  77  -0.120  -0.353  14.397
  584    HA   SER  77           HA       SER  77  -1.407  -2.844  13.635
  585    HB2  SER  77           1HB      SER  77  -0.734  -2.129  15.961
  586    HB3  SER  77           2HB      SER  77  -2.114  -1.014  15.950
  587    HG   SER  77           HG       SER  77  -2.604  -3.073  16.915
  588    H    ASP  78           H        ASP  78  -2.389   0.565  13.377
  589    HA   ASP  78           HA       ASP  78  -5.203   0.015  12.881
  590    HB2  ASP  78           1HB      ASP  78  -3.431   2.370  13.013
  591    HB3  ASP  78           2HB      ASP  78  -4.550   2.461  11.672
  592    H    LEU  79           H        LEU  79  -2.343  -0.326  10.985
  593    HA   LEU  79           HA       LEU  79  -3.662  -0.133   8.377
  594    HB2  LEU  79           1HB      LEU  79  -0.999  -1.479   8.928
  595    HB3  LEU  79           2HB      LEU  79  -1.596  -0.749   7.444
  596    HG   LEU  79           HG       LEU  79  -0.621   0.694   9.926
  597   HD11  LEU  79          1HD1      LEU  79   1.121  -0.200   8.450
  598   HD12  LEU  79          2HD1      LEU  79   0.359   0.572   7.043
  599   HD13  LEU  79          3HD1      LEU  79   1.068   1.567   8.329
  600   HD21  LEU  79          3HD2      LEU  79  -0.968   2.801   8.628
  601   HD22  LEU  79          1HD2      LEU  79  -1.857   1.861   7.416
  602   HD23  LEU  79          2HD2      LEU  79  -2.489   2.013   9.069
  603    H    LEU  80           H        LEU  80  -3.576  -2.497  10.827
  604    HA   LEU  80           HA       LEU  80  -3.899  -4.804   9.018
  605    HB2  LEU  80           1HB      LEU  80  -3.837  -4.738  12.045
  606    HB3  LEU  80           2HB      LEU  80  -3.691  -6.154  11.015
  607    HG   LEU  80           HG       LEU  80  -1.660  -3.905  11.241
  608   HD11  LEU  80          1HD1      LEU  80  -1.810  -5.362  13.237
  609   HD12  LEU  80          2HD1      LEU  80  -1.586  -6.796  12.211
  610   HD13  LEU  80          3HD1      LEU  80  -0.280  -5.608  12.384
  611   HD21  LEU  80          3HD2      LEU  80  -0.159  -5.401   9.921
  612   HD22  LEU  80          1HD2      LEU  80  -1.539  -6.472   9.609
  613   HD23  LEU  80          2HD2      LEU  80  -1.532  -4.800   8.994
  614    H    THR  81           H        THR  81  -5.992  -2.543   9.769
  615    HA   THR  81           HA       THR  81  -8.190  -4.148  10.909
  616    HB   THR  81           HB       THR  81  -9.392  -2.053  11.129
  617    HG1  THR  81           1HG      THR  81  -7.082  -0.781  10.075
  618   HG21  THR  81          3HG2      THR  81  -7.945  -0.945  12.745
  619   HG22  THR  81          1HG2      THR  81  -7.837  -2.704  12.913
  620   HG23  THR  81          2HG2      THR  81  -6.525  -1.811  12.123
  621    H    ASP  82           H        ASP  82 -10.421  -2.993   9.863
  622    HA   ASP  82           HA       ASP  82 -10.692  -4.629   7.446
  623    HB2  ASP  82           1HB      ASP  82 -13.035  -4.582   8.002
  624    HB3  ASP  82           2HB      ASP  82 -12.094  -4.972   9.439
  625    H    ASP  83           H        ASP  83 -10.010  -1.508   7.819
  626    HA   ASP  83           HA       ASP  83 -11.073  -0.873   5.111
  627    HB2  ASP  83           1HB      ASP  83 -12.408   0.389   6.833
  628    HB3  ASP  83           2HB      ASP  83 -10.930   1.240   7.285
  629    H    ILE  84           H        ILE  84  -9.503  -0.486   3.777
  630    HA   ILE  84           HA       ILE  84  -6.746  -0.570   4.596
  631    HB   ILE  84           HB       ILE  84  -6.209  -0.564   2.277
  632   HG12  ILE  84          1HG1      ILE  84  -9.041   0.405   1.683
  633   HG13  ILE  84          2HG1      ILE  84  -7.575   1.383   1.618
  634   HG21  ILE  84          1HG2      ILE  84  -7.429  -2.579   3.206
  635   HG22  ILE  84          2HG2      ILE  84  -8.913  -1.966   2.469
  636   HG23  ILE  84          3HG2      ILE  84  -7.541  -2.421   1.451
  637   HD11  ILE  84          3HD1      ILE  84  -8.215   0.780  -0.598
  638   HD12  ILE  84          1HD1      ILE  84  -6.663   0.007  -0.183
  639   HD13  ILE  84          2HD1      ILE  84  -8.172  -0.948  -0.209
  640    H    THR  85           H        THR  85  -8.860   2.112   4.435
  641    HA   THR  85           HA       THR  85  -7.337   4.109   3.240
  642    HB   THR  85           HB       THR  85  -9.687   4.317   3.817
  643    HG1  THR  85           1HG      THR  85  -7.997   6.329   4.875
  644   HG21  THR  85          3HG2      THR  85 -10.424   5.033   5.994
  645   HG22  THR  85          1HG2      THR  85  -9.585   3.486   6.182
  646   HG23  THR  85          2HG2      THR  85  -8.768   4.997   6.641
  647    H    LYS  86           H        LYS  86  -6.840   2.889   6.524
  648    HA   LYS  86           HA       LYS  86  -5.143   5.055   7.394
  649    HB2  LYS  86           1HB      LYS  86  -5.082   2.129   8.272
  650    HB3  LYS  86           2HB      LYS  86  -4.331   3.490   9.083
  651    HG2  LYS  86           1HG      LYS  86  -6.190   3.250  10.369
  652    HG3  LYS  86           2HG      LYS  86  -6.747   4.490   9.250
  653    HD2  LYS  86           1HD      LYS  86  -7.983   2.815   7.967
  654    HD3  LYS  86           2HD      LYS  86  -7.262   1.499   8.896
  655    HE2  LYS  86           1HE      LYS  86  -8.962   3.671  10.189
  656    HE3  LYS  86           2HE      LYS  86  -9.687   2.252   9.419
  657    HZ1  LYS  86           3HZ      LYS  86  -9.374   1.845  11.759
  658    HZ2  LYS  86           1HZ      LYS  86  -8.401   0.843  10.903
  659    HZ3  LYS  86           2HZ      LYS  86  -7.771   2.146  11.689
  660    H    ALA  87           H        ALA  87  -4.550   2.205   5.414
  661    HA   ALA  87           HA       ALA  87  -1.627   2.705   5.267
  662    HB1  ALA  87           1HB      ALA  87  -2.618   0.377   5.544
  663    HB2  ALA  87           2HB      ALA  87  -3.309   0.544   3.914
  664    HB3  ALA  87           3HB      ALA  87  -1.543   0.577   4.155
  665    H    ALA  88           H        ALA  88  -4.551   2.833   3.196
  666    HA   ALA  88           HA       ALA  88  -3.141   3.463   0.799
  667    HB1  ALA  88           1HB      ALA  88  -5.467   2.488   1.014
  668    HB2  ALA  88           2HB      ALA  88  -6.042   4.119   1.457
  669    HB3  ALA  88           3HB      ALA  88  -5.315   3.823  -0.130
  670    H    LYS  89           H        LYS  89  -4.675   5.694   3.199
  671    HA   LYS  89           HA       LYS  89  -3.957   8.072   1.675
  672    HB2  LYS  89           1HB      LYS  89  -4.595   7.684   4.610
  673    HB3  LYS  89           2HB      LYS  89  -4.528   9.243   3.784
  674    HG2  LYS  89           1HG      LYS  89  -6.469   7.018   3.007
  675    HG3  LYS  89           2HG      LYS  89  -6.842   8.275   4.185
  676    HD2  LYS  89           1HD      LYS  89  -6.766   9.999   2.521
  677    HD3  LYS  89           2HD      LYS  89  -6.018   8.929   1.332
  678    HE2  LYS  89           1HE      LYS  89  -8.396   9.290   0.840
  679    HE3  LYS  89           2HE      LYS  89  -8.010   7.591   1.113
  680    HZ1  LYS  89           3HZ      LYS  89 -10.072   8.322   2.233
  681    HZ2  LYS  89           1HZ      LYS  89  -8.989   7.713   3.286
  682    HZ3  LYS  89           2HZ      LYS  89  -9.218   9.340   3.184
  683    H    CYS  90           H        CYS  90  -2.296   6.104   4.056
  684    HA   CYS  90           HA       CYS  90   0.029   7.832   4.400
  685    HB2  CYS  90           1HB      CYS  90  -0.582   6.210   6.053
  686    HB3  CYS  90           2HB      CYS  90  -0.520   4.884   4.892
  687    H    ALA  91           H        ALA  91  -0.777   5.131   2.157
  688    HA   ALA  91           HA       ALA  91   1.627   5.186   0.665
  689    HB1  ALA  91           1HB      ALA  91  -0.129   3.424   0.600
  690    HB2  ALA  91           2HB      ALA  91  -1.182   4.532  -0.292
  691    HB3  ALA  91           3HB      ALA  91   0.343   3.998  -1.016
  692    H    LYS  92           H        LYS  92  -1.357   7.258   0.191
  693    HA   LYS  92           HA       LYS  92  -0.239   8.710  -1.996
  694    HB2  LYS  92           1HB      LYS  92  -2.019   9.948   0.118
  695    HB3  LYS  92           2HB      LYS  92  -1.813  10.433  -1.556
  696    HG2  LYS  92           1HG      LYS  92  -3.296   8.047  -0.463
  697    HG3  LYS  92           2HG      LYS  92  -3.946   9.412  -1.299
  698    HD2  LYS  92           1HD      LYS  92  -2.342   7.108  -2.447
  699    HD3  LYS  92           2HD      LYS  92  -4.024   7.494  -2.734
  700    HE2  LYS  92           1HE      LYS  92  -1.639   9.156  -3.680
  701    HE3  LYS  92           2HE      LYS  92  -2.586   8.048  -4.674
  702    HZ1  LYS  92           3HZ      LYS  92  -3.303  10.346  -4.966
  703    HZ2  LYS  92           1HZ      LYS  92  -4.527   9.473  -4.333
  704    HZ3  LYS  92           2HZ      LYS  92  -3.671  10.495  -3.382
  705    H    LYS  93           H        LYS  93   0.128   9.258   1.523
  706    HA   LYS  93           HA       LYS  93   1.762  11.611   1.272
  707    HB2  LYS  93           1HB      LYS  93   0.448  11.013   3.269
  708    HB3  LYS  93           2HB      LYS  93   1.475   9.615   3.548
  709    HG2  LYS  93           1HG      LYS  93   2.012  11.444   5.056
  710    HG3  LYS  93           2HG      LYS  93   3.397  11.058   4.037
  711    HD2  LYS  93           1HD      LYS  93   3.027  13.049   2.675
  712    HD3  LYS  93           2HD      LYS  93   1.457  13.330   3.451
  713    HE2  LYS  93           1HE      LYS  93   2.951  14.880   4.447
  714    HE3  LYS  93           2HE      LYS  93   2.660  13.621   5.653
  715    HZ1  LYS  93           3HZ      LYS  93   5.001  14.176   5.513
  716    HZ2  LYS  93           1HZ      LYS  93   4.812  12.633   5.032
  717    HZ3  LYS  93           2HZ      LYS  93   5.061  13.812   3.917
  718    H    ILE  94           H        ILE  94   2.628   8.194   1.119
  719    HA   ILE  94           HA       ILE  94   5.526   8.693   1.021
  720    HB   ILE  94           HB       ILE  94   3.826   6.333   0.111
  721   HG12  ILE  94          1HG1      ILE  94   5.746   6.507   2.439
  722   HG13  ILE  94          2HG1      ILE  94   4.057   6.904   2.645
  723   HG21  ILE  94          1HG2      ILE  94   5.867   6.379  -1.230
  724   HG22  ILE  94          2HG2      ILE  94   6.853   6.707   0.206
  725   HG23  ILE  94          3HG2      ILE  94   6.053   5.131  -0.005
  726   HD11  ILE  94          3HD1      ILE  94   4.428   4.640   3.374
  727   HD12  ILE  94          1HD1      ILE  94   3.427   4.606   1.915
  728   HD13  ILE  94          2HD1      ILE  94   5.155   4.186   1.825
  729    H    TYR  95           H        TYR  95   2.978   8.236  -1.452
  730    HA   TYR  95           HA       TYR  95   4.570   8.455  -3.732
  731    HB2  TYR  95           1HB      TYR  95   2.533   7.593  -4.131
  732    HB3  TYR  95           2HB      TYR  95   1.692   8.694  -3.064
  733    HD1  TYR  95           2HD      TYR  95   1.347  11.143  -3.814
  734    HD2  TYR  95           1HD      TYR  95   2.267   7.872  -6.469
  735    HE1  TYR  95           2HE      TYR  95   0.423  12.435  -5.728
  736    HE2  TYR  95           1HE      TYR  95   1.355   9.161  -8.383
  737    HH   TYR  95           HH       TYR  95   0.377  11.130  -9.072
  738    H    LYS  96           H        LYS  96   3.506  11.058  -1.682
  739    HA   LYS  96           HA       LYS  96   4.069  13.347  -3.268
  740    HB2  LYS  96           1HB      LYS  96   4.396  12.663  -0.324
  741    HB3  LYS  96           2HB      LYS  96   4.713  14.286  -0.920
  742    HG2  LYS  96           1HG      LYS  96   2.023  12.884  -1.211
  743    HG3  LYS  96           2HG      LYS  96   2.450  13.989   0.095
  744    HD2  LYS  96           1HD      LYS  96   2.847  15.798  -1.578
  745    HD3  LYS  96           2HD      LYS  96   2.332  14.694  -2.873
  746    HE2  LYS  96           1HE      LYS  96   0.124  14.423  -1.775
  747    HE3  LYS  96           2HE      LYS  96   0.630  15.512  -0.476
  748    HZ1  LYS  96           3HZ      LYS  96  -0.669  16.683  -2.149
  749    HZ2  LYS  96           1HZ      LYS  96   0.849  17.283  -2.130
  750    HZ3  LYS  96           2HZ      LYS  96   0.380  16.278  -3.334
  751    H    ARG  97           H        ARG  97   6.346  11.089  -1.796
  752    HA   ARG  97           HA       ARG  97   8.677  12.733  -2.755
  753    HB2  ARG  97           1HB      ARG  97   8.572  10.732  -0.507
  754    HB3  ARG  97           2HB      ARG  97  10.013  11.534  -1.149
  755    HG2  ARG  97           1HG      ARG  97   8.764  13.783  -0.646
  756    HG3  ARG  97           2HG      ARG  97   7.677  12.778   0.343
  757    HD2  ARG  97           1HD      ARG  97   9.888  11.817   1.327
  758    HD3  ARG  97           2HD      ARG  97  10.675  13.214   0.618
  759    HE   ARG  97           HE       ARG  97   9.777  14.598   2.240
  760   HH11  ARG  97          1HH1      ARG  97   8.030  11.541   2.445
  761   HH12  ARG  97          2HH1      ARG  97   7.435  11.872   4.054
  762   HH21  ARG  97          1HH2      ARG  97   9.004  14.941   4.349
  763   HH22  ARG  97          2HH2      ARG  97   8.060  13.698   5.135
  764    H    HIS  98           H        HIS  98   7.212   9.516  -2.679
  765    HA   HIS  98           HA       HIS  98   9.000   8.515  -4.862
  766    HB2  HIS  98           1HB      HIS  98   8.360   7.192  -2.191
  767    HB3  HIS  98           2HB      HIS  98   9.178   6.403  -3.530
  768    HD2  HIS  98           2HD      HIS  98   9.860   8.387  -0.468
  769    HE1  HIS  98           1HE      HIS  98  13.493   8.566  -2.679
  770    HE2  HIS  98           2HE      HIS  98  12.414   9.024  -0.417
  771    H    ARG  99           H        ARG  99   7.151   8.844  -6.266
  772    HA   ARG  99           HA       ARG  99   4.529   8.227  -5.845
  773    HB2  ARG  99           1HB      ARG  99   4.134   8.215  -8.139
  774    HB3  ARG  99           2HB      ARG  99   5.161   9.538  -7.592
  775    HG2  ARG  99           1HG      ARG  99   7.168   8.336  -8.505
  776    HG3  ARG  99           2HG      ARG  99   6.084   7.046  -9.104
  777    HD2  ARG  99           1HD      ARG  99   4.746   8.756 -10.272
  778    HD3  ARG  99           2HD      ARG  99   5.851  10.009  -9.730
  779    HE   ARG  99           HE       ARG  99   6.254   8.062 -11.902
  780   HH11  ARG  99          1HH2      ARG  99   8.005  10.293  -9.777
  781   HH12  ARG  99          2HH2      ARG  99   9.374  10.368 -10.844
  782   HH21  ARG  99          1HH1      ARG  99   8.053   8.205 -13.218
  783   HH22  ARG  99          2HH1      ARG  99   9.398   9.203 -12.760
  784    H    PHE 100           H        PHE 100   6.898   5.936  -7.160
  785    HA   PHE 100           HA       PHE 100   5.310   3.681  -6.035
  786    HB2  PHE 100           1HB      PHE 100   6.546   3.628  -8.808
  787    HB3  PHE 100           2HB      PHE 100   5.677   2.337  -7.984
  788    HD1  PHE 100           1HD      PHE 100   3.219   2.804  -7.262
  789    HD2  PHE 100           2HD      PHE 100   5.326   5.017 -10.304
  790    HE1  PHE 100           1HE      PHE 100   1.067   3.536  -8.214
  791    HE2  PHE 100           2HE      PHE 100   3.156   5.773 -11.248
  792    HZ   PHE 100           HZ       PHE 100   1.022   5.029 -10.203
  793    H    ASP 101           H        ASP 101   8.254   5.284  -6.227
  794    HA   ASP 101           HA       ASP 101  10.133   3.232  -6.607
  795    HB2  ASP 101           1HB      ASP 101  10.665   5.844  -5.169
  796    HB3  ASP 101           2HB      ASP 101  11.738   4.938  -6.219
  797    H    ALA 102           H        ALA 102   8.418   4.039  -3.732
  798    HA   ALA 102           HA       ALA 102  10.436   3.124  -1.826
  799    HB1  ALA 102           1HB      ALA 102   8.847   4.931  -1.282
  800    HB2  ALA 102           2HB      ALA 102   7.481   3.811  -1.504
  801    HB3  ALA 102           3HB      ALA 102   8.638   3.560  -0.183
  802    H    TRP 103           H        TRP 103   8.447   1.420  -3.918
  803    HA   TRP 103           HA       TRP 103   8.248  -0.966  -2.112
  804    HB2  TRP 103           1HB      TRP 103   6.378   0.031  -4.298
  805    HB3  TRP 103           2HB      TRP 103   6.201  -1.489  -3.436
  806    HD1  TRP 103           HD       TRP 103   5.551  -1.380  -0.841
  807    HE1  TRP 103           1HE      TRP 103   4.099   0.255   0.439
  808    HE3  TRP 103           3HE      TRP 103   5.943   2.628  -3.985
  809    HZ2  TRP 103           2HZ      TRP 103   3.022   2.942   0.034
  810    HZ3  TRP 103           3HZ      TRP 103   4.672   4.704  -3.541
  811    HH2  TRP 103           HH       TRP 103   3.154   4.851  -1.574
  812    H    TYR 104           H        TYR 104   8.664  -2.929  -2.810
  813    HA   TYR 104           HA       TYR 104  10.456  -3.115  -5.153
  814    HB2  TYR 104           1HB      TYR 104  11.042  -3.941  -2.818
  815    HB3  TYR 104           2HB      TYR 104   9.861  -5.227  -3.062
  816    HD1  TYR 104           2HD      TYR 104  12.893  -3.615  -4.480
  817    HD2  TYR 104           1HD      TYR 104  10.481  -7.173  -4.356
  818    HE1  TYR 104           2HE      TYR 104  14.637  -4.836  -5.808
  819    HE2  TYR 104           1HE      TYR 104  12.209  -8.408  -5.663
  820    HH   TYR 104           HH       TYR 104  14.258  -8.292  -6.710
  821    H    GLY 105           H        GLY 105   7.353  -4.352  -3.985
  822    HA2  GLY 105           1HA      GLY 105   6.830  -6.290  -6.021
  823    HA3  GLY 105           2HA      GLY 105   5.611  -5.427  -5.048
  824    H    TRP 106           H        TRP 106   6.782  -2.800  -6.177
  825    HA   TRP 106           HA       TRP 106   5.341  -2.764  -8.744
  826    HB2  TRP 106           1HB      TRP 106   5.055  -0.884  -7.278
  827    HB3  TRP 106           2HB      TRP 106   6.786  -0.591  -7.205
  828    HD1  TRP 106           HD       TRP 106   3.793  -0.258  -9.586
  829    HE1  TRP 106           1HE      TRP 106   4.428   1.234 -11.582
  830    HE3  TRP 106           3HE      TRP 106   8.680   0.572  -8.424
  831    HZ2  TRP 106           2HZ      TRP 106   6.817   2.511 -12.610
  832    HZ3  TRP 106           3HZ      TRP 106  10.158   1.831  -9.947
  833    HH2  TRP 106           HH       TRP 106   9.238   2.826 -12.053
  834    H    LYS 107           H        LYS 107   8.723  -1.764  -7.840
  835    HA   LYS 107           HA       LYS 107   9.479  -1.602 -10.551
  836    HB2  LYS 107           1HB      LYS 107  11.792  -1.353  -9.752
  837    HB3  LYS 107           2HB      LYS 107  10.654  -0.352  -8.871
  838    HG2  LYS 107           1HG      LYS 107  10.627  -2.046  -7.037
  839    HG3  LYS 107           2HG      LYS 107  11.865  -2.966  -7.905
  840    HD2  LYS 107           1HD      LYS 107  12.996  -1.715  -6.238
  841    HD3  LYS 107           2HD      LYS 107  13.344  -0.892  -7.766
  842    HE2  LYS 107           1HE      LYS 107  11.588   0.795  -7.262
  843    HE3  LYS 107           2HE      LYS 107  11.141  -0.087  -5.798
  844    HZ1  LYS 107           3HZ      LYS 107  12.559   1.731  -5.221
  845    HZ2  LYS 107           1HZ      LYS 107  13.397   0.359  -4.947
  846    HZ3  LYS 107           2HZ      LYS 107  13.737   1.267  -6.269
  847    H    ASN 108           H        ASN 108   9.539  -4.494  -8.554
  848    HA   ASN 108           HA       ASN 108  11.288  -5.955 -10.361
  849    HB2  ASN 108           1HB      ASN 108  11.127  -6.273  -7.882
  850    HB3  ASN 108           2HB      ASN 108   9.521  -6.971  -8.105
  851   HD21  ASN 108          2HD2      ASN 108  12.952  -7.366  -9.231
  852   HD22  ASN 108          1HD2      ASN 108  12.855  -9.115  -9.320
  853    H    HIS 109           H        HIS 109   7.970  -5.167 -10.617
  854    HA   HIS 109           HA       HIS 109   7.483  -7.413 -12.560
  855    HB2  HIS 109           1HB      HIS 109   5.612  -6.425 -10.373
  856    HB3  HIS 109           2HB      HIS 109   5.196  -7.588 -11.628
  857    HD2  HIS 109           2HD      HIS 109   6.912  -7.326  -8.263
  858    HE1  HIS 109           1HE      HIS 109   7.370 -11.377  -9.482
  859    HE2  HIS 109           2HE      HIS 109   7.655  -9.748  -7.547
  860    H    CYS 110           H        CYS 110   6.306  -4.191 -11.494
  861    HA   CYS 110           HA       CYS 110   4.436  -3.844 -13.623
  862    HB2  CYS 110           1HB      CYS 110   5.800  -1.835 -11.785
  863    HB3  CYS 110           2HB      CYS 110   4.408  -1.485 -12.792
  864    H    GLN 111           H        GLN 111   7.869  -3.304 -13.605
  865    HA   GLN 111           HA       GLN 111   7.872  -1.570 -15.987
  866    HB2  GLN 111           1HB      GLN 111  10.120  -3.033 -14.542
  867    HB3  GLN 111           2HB      GLN 111  10.321  -1.878 -15.865
  868    HG2  GLN 111           1HG      GLN 111   9.212  -0.112 -14.469
  869    HG3  GLN 111           2HG      GLN 111   9.150  -1.249 -13.116
  870   HE21  GLN 111          2HE2      GLN 111  11.374  -2.235 -12.460
  871   HE22  GLN 111          1HE2      GLN 111  12.738  -1.126 -12.563
  872    H    GLY 112           H        GLY 112   7.536  -4.956 -15.434
  873    HA2  GLY 112           1HA      GLY 112   8.423  -5.722 -18.179
  874    HA3  GLY 112           2HA      GLY 112   7.991  -6.808 -16.838
  875    H    SER 113           H        SER 113   5.535  -5.955 -16.023
  876    HA   SER 113           HA       SER 113   3.635  -5.555 -18.206
  877    HB2  SER 113           1HB      SER 113   4.118  -8.317 -17.042
  878    HB3  SER 113           2HB      SER 113   2.514  -7.838 -17.598
  879    HG   SER 113           HG       SER 113   4.830  -7.630 -19.242
  880    H    LEU 114           H        LEU 114   1.502  -5.202 -17.481
  881    HA   LEU 114           HA       LEU 114   1.037  -5.194 -14.535
  882    HB2  LEU 114           1HB      LEU 114   0.171  -3.276 -16.740
  883    HB3  LEU 114           2HB      LEU 114  -0.560  -3.272 -15.144
  884    HG   LEU 114           HG       LEU 114   2.429  -2.847 -15.599
  885   HD11  LEU 114          1HD1      LEU 114   1.063  -1.091 -16.684
  886   HD12  LEU 114          2HD1      LEU 114   0.241  -0.793 -15.128
  887   HD13  LEU 114          3HD1      LEU 114   1.983  -0.479 -15.296
  888   HD21  LEU 114          3HD2      LEU 114   2.233  -1.825 -13.288
  889   HD22  LEU 114          1HD2      LEU 114   0.588  -2.467 -13.190
  890   HD23  LEU 114          2HD2      LEU 114   1.970  -3.576 -13.323
  891    HA   PRO 115           HA       PRO 115  -2.656  -7.614 -15.405
  892    HB2  PRO 115           1HB      PRO 115  -4.223  -6.994 -13.279
  893    HB3  PRO 115           2HB      PRO 115  -2.724  -7.966 -13.099
  894    HG2  PRO 115           1HG      PRO 115  -3.097  -4.989 -12.626
  895    HG3  PRO 115           2HG      PRO 115  -2.303  -6.190 -11.554
  896    HD2  PRO 115           1HD      PRO 115  -0.897  -4.604 -13.281
  897    HD3  PRO 115           2HD      PRO 115  -0.391  -6.284 -12.924
  898    H    ASP 116           H        ASP 116  -4.833  -7.314 -16.131
  899    HA   ASP 116           HA       ASP 116  -5.530  -4.591 -17.023
  900    HB2  ASP 116           1HB      ASP 116  -5.751  -6.462 -18.586
  901    HB3  ASP 116           2HB      ASP 116  -6.879  -7.267 -17.489
  902    H    ILE 117           H        ILE 117  -7.383  -3.578 -16.547
  903    HA   ILE 117           HA       ILE 117  -9.012  -4.335 -14.152
  904    HB   ILE 117           HB       ILE 117  -8.893  -2.013 -13.356
  905   HG12  ILE 117          1HG1      ILE 117  -6.726  -1.555 -15.462
  906   HG13  ILE 117          2HG1      ILE 117  -8.390  -1.002 -15.632
  907   HG21  ILE 117          1HG2      ILE 117  -7.326  -3.749 -12.471
  908   HG22  ILE 117          2HG2      ILE 117  -6.087  -3.179 -13.608
  909   HG23  ILE 117          3HG2      ILE 117  -6.699  -2.104 -12.335
  910   HD11  ILE 117          3HD1      ILE 117  -7.047   0.811 -14.875
  911   HD12  ILE 117          1HD1      ILE 117  -8.169   0.341 -13.579
  912   HD13  ILE 117          2HD1      ILE 117  -6.448  -0.134 -13.495
  913    H    SER 118           H        SER 118  -9.087  -3.585 -17.373
  914    HA   SER 118           HA       SER 118 -11.027  -1.567 -17.624
  915    HB2  SER 118           1HB      SER 118 -10.562  -3.872 -19.550
  916    HB3  SER 118           2HB      SER 118 -11.264  -2.292 -19.923
  917    HG   SER 118           HG       SER 118  -8.584  -2.970 -19.287
  918    H    SER 119           H        SER 119 -11.660  -4.760 -16.522
  919    HA   SER 119           HA       SER 119 -14.535  -4.754 -17.220
  920    HB2  SER 119           1HB      SER 119 -14.448  -6.928 -15.977
  921    HB3  SER 119           2HB      SER 119 -13.386  -6.845 -17.394
  922    HG   SER 119           HG       SER 119 -12.330  -7.765 -15.548
  923    H    CYS 120           H        CYS 120 -12.618  -3.391 -14.781
  924    HA   CYS 120           HA       CYS 120 -14.469  -3.839 -12.537
  925    HB2  CYS 120           1HB      CYS 120 -11.864  -2.304 -12.673
  926    HB3  CYS 120           2HB      CYS 120 -12.706  -2.817 -11.215
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  -9.318  -7.544  10.161
    2    H2   GLY   1           2H       GLY   1  -8.135  -8.654  10.443
    3    H3   GLY   1           3H       GLY   1  -7.834  -7.054  10.690
    4    HA2  GLY   1           1HA      GLY   1  -8.137  -6.581   8.364
    5    HA3  GLY   1           2HA      GLY   1  -6.798  -7.699   8.654
    6    H    LYS   2           H        LYS   2  -7.901  -7.559   6.196
    7    HA   LYS   2           HA       LYS   2  -9.151 -10.163   5.708
    8    HB2  LYS   2           1HB      LYS   2 -11.154  -9.280   4.680
    9    HB3  LYS   2           2HB      LYS   2 -11.061  -8.697   6.341
   10    HG2  LYS   2           1HG      LYS   2 -10.179  -6.506   5.520
   11    HG3  LYS   2           2HG      LYS   2 -10.318  -7.083   3.856
   12    HD2  LYS   2           1HD      LYS   2 -12.651  -6.804   5.790
   13    HD3  LYS   2           2HD      LYS   2 -12.176  -5.603   4.578
   14    HE2  LYS   2           1HE      LYS   2 -12.513  -7.279   2.770
   15    HE3  LYS   2           2HE      LYS   2 -13.049  -8.463   3.972
   16    HZ1  LYS   2           3HZ      LYS   2 -14.929  -7.343   2.938
   17    HZ2  LYS   2           1HZ      LYS   2 -14.887  -6.971   4.528
   18    HZ3  LYS   2           2HZ      LYS   2 -14.393  -5.875   3.417
   19    H    THR   3           H        THR   3  -9.458 -10.604   3.402
   20    HA   THR   3           HA       THR   3  -7.399  -9.262   1.716
   21    HB   THR   3           HB       THR   3  -8.537 -12.026   1.246
   22    HG1  THR   3           1HG      THR   3  -6.725 -12.767   2.349
   23   HG21  THR   3          3HG2      THR   3  -6.347 -12.264   0.030
   24   HG22  THR   3          1HG2      THR   3  -7.355 -10.985  -0.664
   25   HG23  THR   3          2HG2      THR   3  -5.992 -10.559   0.391
   26    H    PHE   4           H        PHE   4  -7.905  -8.296  -0.068
   27    HA   PHE   4           HA       PHE   4 -10.730  -8.114  -0.960
   28    HB2  PHE   4           1HB      PHE   4  -8.255  -6.424  -1.483
   29    HB3  PHE   4           2HB      PHE   4  -9.785  -6.127  -2.261
   30    HD1  PHE   4           1HD      PHE   4  -8.190  -6.340   1.153
   31    HD2  PHE   4           2HD      PHE   4 -11.419  -4.730  -1.222
   32    HE1  PHE   4           1HE      PHE   4  -9.005  -5.070   3.110
   33    HE2  PHE   4           2HE      PHE   4 -12.229  -3.478   0.747
   34    HZ   PHE   4           HZ       PHE   4 -11.041  -3.654   2.925
   35    H    THR   5           H        THR   5 -11.210  -8.163  -3.180
   36    HA   THR   5           HA       THR   5  -9.486  -9.890  -4.920
   37    HB   THR   5           HB       THR   5 -11.754 -10.737  -4.590
   38    HG1  THR   5           1HG      THR   5 -12.082 -11.013  -6.795
   39   HG21  THR   5          3HG2      THR   5 -13.684  -9.617  -5.612
   40   HG22  THR   5          1HG2      THR   5 -13.025  -8.610  -4.318
   41   HG23  THR   5          2HG2      THR   5 -12.691  -8.206  -6.017
   42    H    ARG   6           H        ARG   6  -9.306  -9.124  -7.235
   43    HA   ARG   6           HA       ARG   6  -8.084  -6.587  -7.182
   44    HB2  ARG   6           1HB      ARG   6  -7.584  -8.413  -8.791
   45    HB3  ARG   6           2HB      ARG   6  -9.060  -8.023  -9.681
   46    HG2  ARG   6           1HG      ARG   6  -8.219  -5.739 -10.121
   47    HG3  ARG   6           2HG      ARG   6  -6.781  -6.046  -9.137
   48    HD2  ARG   6           1HD      ARG   6  -7.523  -7.546 -11.680
   49    HD3  ARG   6           2HD      ARG   6  -6.389  -6.192 -11.593
   50    HE   ARG   6           HE       ARG   6  -5.178  -7.720  -9.822
   51   HH11  ARG   6          1HH1      ARG   6  -6.736  -9.048 -12.725
   52   HH12  ARG   6          2HH1      ARG   6  -5.596 -10.357 -12.821
   53   HH21  ARG   6          1HH2      ARG   6  -3.682  -9.265 -10.113
   54   HH22  ARG   6          2HH2      ARG   6  -3.894 -10.506 -11.331
   55    H    CYS   7           H        CYS   7 -11.314  -7.373  -8.610
   56    HA   CYS   7           HA       CYS   7 -11.903  -4.650  -9.328
   57    HB2  CYS   7           1HB      CYS   7 -14.196  -5.401  -9.606
   58    HB3  CYS   7           2HB      CYS   7 -13.064  -6.529 -10.337
   59    H    GLY   8           H        GLY   8 -12.280  -6.323  -6.248
   60    HA2  GLY   8           1HA      GLY   8 -13.861  -4.263  -4.934
   61    HA3  GLY   8           2HA      GLY   8 -12.914  -5.557  -4.151
   62    H    LEU   9           H        LEU   9 -10.343  -5.044  -5.008
   63    HA   LEU   9           HA       LEU   9  -9.443  -2.807  -3.498
   64    HB2  LEU   9           1HB      LEU   9  -8.163  -4.892  -3.966
   65    HB3  LEU   9           2HB      LEU   9  -8.075  -4.470  -5.675
   66    HG   LEU   9           HG       LEU   9  -6.803  -2.425  -5.106
   67   HD11  LEU   9          1HD1      LEU   9  -7.584  -1.925  -2.871
   68   HD12  LEU   9          2HD1      LEU   9  -7.018  -3.495  -2.270
   69   HD13  LEU   9          3HD1      LEU   9  -5.848  -2.240  -2.774
   70   HD21  LEU   9          3HD2      LEU   9  -4.716  -3.521  -4.631
   71   HD22  LEU   9          1HD2      LEU   9  -5.547  -4.903  -3.878
   72   HD23  LEU   9          2HD2      LEU   9  -5.682  -4.614  -5.629
   73    H    VAL  10           H        VAL  10  -9.680  -3.169  -7.083
   74    HA   VAL  10           HA       VAL  10  -8.896  -0.581  -7.856
   75    HB   VAL  10           HB       VAL  10 -11.044  -2.409  -8.995
   76   HG11  VAL  10          1HG1      VAL  10 -11.761  -0.253  -9.758
   77   HG12  VAL  10          2HG1      VAL  10 -10.108   0.262 -10.101
   78   HG13  VAL  10          3HG1      VAL  10 -10.881  -0.983 -11.098
   79   HG21  VAL  10          3HG2      VAL  10  -9.430  -2.821 -10.773
   80   HG22  VAL  10          1HG2      VAL  10  -8.295  -1.652 -10.067
   81   HG23  VAL  10          2HG2      VAL  10  -8.669  -3.157  -9.219
   82    H    HIS  11           H        HIS  11 -12.146  -1.624  -6.752
   83    HA   HIS  11           HA       HIS  11 -13.365   0.994  -6.915
   84    HB2  HIS  11           1HB      HIS  11 -14.127  -1.550  -5.440
   85    HB3  HIS  11           2HB      HIS  11 -15.092  -0.089  -5.403
   86    HD2  HIS  11           2HD      HIS  11 -13.707  -0.554  -8.875
   87    HE1  HIS  11           1HE      HIS  11 -17.581  -2.309  -8.945
   88    HE2  HIS  11           2HE      HIS  11 -15.633  -1.543 -10.384
   89    H    GLU  12           H        GLU  12 -11.907  -0.772  -4.154
   90    HA   GLU  12           HA       GLU  12 -12.556   1.146  -2.157
   91    HB2  GLU  12           1HB      GLU  12 -11.533  -1.355  -2.129
   92    HB3  GLU  12           2HB      GLU  12 -10.030  -0.478  -1.954
   93    HG2  GLU  12           1HG      GLU  12 -10.947  -1.147   0.204
   94    HG3  GLU  12           2HG      GLU  12 -10.948   0.619   0.076
   95    H    LEU  13           H        LEU  13  -9.677   0.884  -4.258
   96    HA   LEU  13           HA       LEU  13  -8.363   3.231  -3.162
   97    HB2  LEU  13           1HB      LEU  13  -8.068   1.790  -5.809
   98    HB3  LEU  13           2HB      LEU  13  -6.911   2.951  -5.165
   99    HG   LEU  13           HG       LEU  13  -7.600   0.316  -3.852
  100   HD11  LEU  13          1HD1      LEU  13  -6.473  -0.002  -5.987
  101   HD12  LEU  13          2HD1      LEU  13  -5.210   1.167  -5.521
  102   HD13  LEU  13          3HD1      LEU  13  -5.358  -0.384  -4.657
  103   HD21  LEU  13          3HD2      LEU  13  -5.637   0.683  -2.467
  104   HD22  LEU  13          1HD2      LEU  13  -5.385   2.288  -3.212
  105   HD23  LEU  13          2HD2      LEU  13  -6.821   1.968  -2.210
  106    H    ARG  14           H        ARG  14 -10.508   2.729  -5.973
  107    HA   ARG  14           HA       ARG  14 -10.481   5.423  -6.952
  108    HB2  ARG  14           1HB      ARG  14 -12.593   3.257  -7.009
  109    HB3  ARG  14           2HB      ARG  14 -12.916   4.864  -7.656
  110    HG2  ARG  14           1HG      ARG  14 -11.225   4.690  -9.325
  111    HG3  ARG  14           2HG      ARG  14 -10.547   3.222  -8.599
  112    HD2  ARG  14           1HD      ARG  14 -12.560   1.965  -9.071
  113    HD3  ARG  14           2HD      ARG  14 -13.374   3.417  -9.708
  114    HE   ARG  14           HE       ARG  14 -11.021   3.054 -11.202
  115   HH11  ARG  14          1HH1      ARG  14 -14.111   1.357 -10.757
  116   HH12  ARG  14          2HH1      ARG  14 -13.905   0.438 -12.235
  117   HH21  ARG  14          1HH2      ARG  14 -10.937   1.865 -13.181
  118   HH22  ARG  14          2HH2      ARG  14 -12.225   0.743 -13.540
  119    H    LYS  15           H        LYS  15 -12.459   3.980  -4.312
  120    HA   LYS  15           HA       LYS  15 -13.857   6.417  -3.600
  121    HB2  LYS  15           1HB      LYS  15 -13.158   3.893  -2.049
  122    HB3  LYS  15           2HB      LYS  15 -14.150   5.193  -1.399
  123    HG2  LYS  15           1HG      LYS  15 -15.922   4.794  -2.940
  124    HG3  LYS  15           2HG      LYS  15 -14.911   3.798  -3.990
  125    HD2  LYS  15           1HD      LYS  15 -16.406   2.359  -2.717
  126    HD3  LYS  15           2HD      LYS  15 -14.728   2.071  -2.246
  127    HE2  LYS  15           1HE      LYS  15 -15.137   3.683  -0.283
  128    HE3  LYS  15           2HE      LYS  15 -16.853   3.634  -0.711
  129    HZ1  LYS  15           3HZ      LYS  15 -16.353   2.001   0.983
  130    HZ2  LYS  15           1HZ      LYS  15 -16.706   1.179  -0.389
  131    HZ3  LYS  15           2HZ      LYS  15 -15.142   1.345   0.103
  132    H    HIS  16           H        HIS  16 -10.771   5.005  -2.518
  133    HA   HIS  16           HA       HIS  16 -10.328   7.073  -0.531
  134    HB2  HIS  16           1HB      HIS  16  -8.646   4.718  -1.467
  135    HB3  HIS  16           2HB      HIS  16  -8.245   5.772  -0.111
  136    HD2  HIS  16           2HD      HIS  16  -8.398   3.094   0.925
  137    HE1  HIS  16           1HE      HIS  16 -12.521   3.455   1.826
  138    HE2  HIS  16           2HE      HIS  16 -10.438   2.137   2.325
  139    H    GLY  17           H        GLY  17  -9.966   7.404  -3.768
  140    HA2  GLY  17           1HA      GLY  17  -9.292   9.431  -4.732
  141    HA3  GLY  17           2HA      GLY  17  -8.261   9.786  -3.327
  142    H    PHE  18           H        PHE  18  -8.153   6.806  -5.298
  143    HA   PHE  18           HA       PHE  18  -5.396   7.479  -6.211
  144    HB2  PHE  18           1HB      PHE  18  -6.977   4.919  -6.085
  145    HB3  PHE  18           2HB      PHE  18  -5.426   5.051  -6.889
  146    HD1  PHE  18           2HD      PHE  18  -6.954   5.832  -3.491
  147    HD2  PHE  18           1HD      PHE  18  -3.532   4.443  -5.696
  148    HE1  PHE  18           2HE      PHE  18  -5.751   5.502  -1.394
  149    HE2  PHE  18           1HE      PHE  18  -2.335   4.019  -3.564
  150    HZ   PHE  18           HZ       PHE  18  -3.436   4.541  -1.403
  151    H    GLU  19           H        GLU  19  -4.915   7.700  -8.373
  152    HA   GLU  19           HA       GLU  19  -7.052   8.578 -10.094
  153    HB2  GLU  19           1HB      GLU  19  -4.109   8.088 -10.673
  154    HB3  GLU  19           2HB      GLU  19  -5.227   8.912 -11.752
  155    HG2  GLU  19           1HG      GLU  19  -4.395   9.865  -8.983
  156    HG3  GLU  19           2HG      GLU  19  -3.791  10.471 -10.520
  157    H    GLU  20           H        GLU  20  -8.111   7.565 -11.730
  158    HA   GLU  20           HA       GLU  20  -8.059   4.771 -12.016
  159    HB2  GLU  20           1HB      GLU  20  -9.567   5.054 -13.877
  160    HB3  GLU  20           2HB      GLU  20  -9.991   6.140 -12.555
  161    HG2  GLU  20           1HG      GLU  20  -8.877   8.027 -13.782
  162    HG3  GLU  20           2HG      GLU  20  -8.525   6.926 -15.116
  163    H    ASN  21           H        ASN  21  -6.108   7.157 -13.767
  164    HA   ASN  21           HA       ASN  21  -5.200   5.235 -15.757
  165    HB2  ASN  21           1HB      ASN  21  -3.937   6.938 -16.679
  166    HB3  ASN  21           2HB      ASN  21  -5.369   7.757 -16.078
  167   HD21  ASN  21          2HD2      ASN  21  -5.087   9.314 -14.322
  168   HD22  ASN  21          1HD2      ASN  21  -3.486   9.791 -13.804
  169    H    LEU  22           H        LEU  22  -4.299   5.862 -12.487
  170    HA   LEU  22           HA       LEU  22  -1.674   4.446 -12.760
  171    HB2  LEU  22           1HB      LEU  22  -2.897   5.934 -10.401
  172    HB3  LEU  22           2HB      LEU  22  -1.288   5.234 -10.469
  173    HG   LEU  22           HG       LEU  22  -2.298   7.619 -12.057
  174   HD11  LEU  22          1HD1      LEU  22  -1.833   8.029  -9.658
  175   HD12  LEU  22          2HD1      LEU  22  -0.198   7.368  -9.861
  176   HD13  LEU  22          3HD1      LEU  22  -0.667   8.866 -10.696
  177   HD21  LEU  22          3HD2      LEU  22   0.012   7.890 -12.878
  178   HD22  LEU  22          1HD2      LEU  22   0.471   6.341 -12.134
  179   HD23  LEU  22          2HD2      LEU  22  -0.703   6.390 -13.469
  180    H    MET  23           H        MET  23  -4.935   3.862 -11.898
  181    HA   MET  23           HA       MET  23  -4.852   2.208  -9.724
  182    HB2  MET  23           1HB      MET  23  -6.811   3.103 -11.099
  183    HB3  MET  23           2HB      MET  23  -6.630   1.708 -12.134
  184    HG2  MET  23           1HG      MET  23  -8.389   1.368 -10.444
  185    HG3  MET  23           2HG      MET  23  -7.085   0.205 -10.221
  186    HE1  MET  23           3HE      MET  23  -8.090   3.859  -7.631
  187    HE2  MET  23           1HE      MET  23  -6.865   4.097  -8.901
  188    HE3  MET  23           2HE      MET  23  -8.506   3.581  -9.327
  189    H    ARG  24           H        ARG  24  -4.240   1.094 -13.089
  190    HA   ARG  24           HA       ARG  24  -3.858  -1.653 -12.594
  191    HB2  ARG  24           1HB      ARG  24  -2.291   0.096 -14.555
  192    HB3  ARG  24           2HB      ARG  24  -2.461  -1.661 -14.602
  193    HG2  ARG  24           1HG      ARG  24  -4.929  -1.373 -14.932
  194    HG3  ARG  24           2HG      ARG  24  -4.666   0.382 -15.006
  195    HD2  ARG  24           1HD      ARG  24  -4.812  -0.392 -17.248
  196    HD3  ARG  24           2HD      ARG  24  -3.118   0.030 -16.938
  197    HE   ARG  24           HE       ARG  24  -3.680  -2.774 -16.416
  198   HH11  ARG  24          1HH1      ARG  24  -3.135  -0.584 -19.145
  199   HH12  ARG  24          2HH1      ARG  24  -2.547  -1.860 -20.166
  200   HH21  ARG  24          1HH2      ARG  24  -2.814  -4.355 -17.760
  201   HH22  ARG  24          2HH2      ARG  24  -2.400  -3.964 -19.400
  202    H    ASN  25           H        ASN  25  -1.425   0.983 -12.478
  203    HA   ASN  25           HA       ASN  25   0.825  -0.598 -11.720
  204    HB2  ASN  25           1HB      ASN  25   0.352   2.334 -11.055
  205    HB3  ASN  25           2HB      ASN  25   1.892   1.505 -11.202
  206   HD21  ASN  25          2HD2      ASN  25   2.921   1.650 -13.218
  207   HD22  ASN  25          1HD2      ASN  25   2.107   2.197 -14.669
  208    H    TRP  26           H        TRP  26  -1.567   1.244  -9.764
  209    HA   TRP  26           HA       TRP  26  -0.394   0.673  -7.228
  210    HB2  TRP  26           1HB      TRP  26  -3.125   1.614  -8.142
  211    HB3  TRP  26           2HB      TRP  26  -2.800   1.259  -6.455
  212    HD1  TRP  26           HD       TRP  26  -2.715   4.079  -8.726
  213    HE1  TRP  26           1HE      TRP  26  -1.490   6.067  -7.674
  214    HE3  TRP  26           3HE      TRP  26  -0.248   1.613  -4.977
  215    HZ2  TRP  26           2HZ      TRP  26   0.121   6.567  -5.315
  216    HZ3  TRP  26           3HZ      TRP  26   1.114   2.871  -3.334
  217    HH2  TRP  26           HH       TRP  26   1.281   5.343  -3.470
  218    H    VAL  27           H        VAL  27  -3.220  -0.980  -8.837
  219    HA   VAL  27           HA       VAL  27  -3.446  -2.826  -6.647
  220    HB   VAL  27           HB       VAL  27  -4.873  -4.224  -7.893
  221   HG11  VAL  27          1HG1      VAL  27  -5.680  -1.988  -7.099
  222   HG12  VAL  27          2HG1      VAL  27  -5.512  -1.395  -8.762
  223   HG13  VAL  27          3HG1      VAL  27  -6.627  -2.721  -8.401
  224   HG21  VAL  27          3HG2      VAL  27  -5.401  -3.891 -10.293
  225   HG22  VAL  27          1HG2      VAL  27  -4.027  -2.770 -10.420
  226   HG23  VAL  27          2HG2      VAL  27  -3.759  -4.479 -10.008
  227    H    CYS  28           H        CYS  28  -1.460  -2.992  -9.614
  228    HA   CYS  28           HA       CYS  28  -0.588  -5.701  -9.167
  229    HB2  CYS  28           1HB      CYS  28  -0.545  -4.248 -11.266
  230    HB3  CYS  28           2HB      CYS  28   0.946  -3.550 -10.648
  231    H    LEU  29           H        LEU  29   0.887  -2.536  -8.270
  232    HA   LEU  29           HA       LEU  29   3.103  -3.498  -6.787
  233    HB2  LEU  29           1HB      LEU  29   2.742  -1.196  -7.471
  234    HB3  LEU  29           2HB      LEU  29   1.344  -1.023  -6.429
  235    HG   LEU  29           HG       LEU  29   4.145  -1.560  -5.354
  236   HD11  LEU  29          1HD1      LEU  29   4.054   0.539  -6.727
  237   HD12  LEU  29          2HD1      LEU  29   2.708   1.109  -5.714
  238   HD13  LEU  29          3HD1      LEU  29   4.319   0.859  -5.013
  239   HD21  LEU  29          3HD2      LEU  29   3.203  -0.414  -3.304
  240   HD22  LEU  29          1HD2      LEU  29   1.595  -0.496  -4.048
  241   HD23  LEU  29          2HD2      LEU  29   2.483  -1.978  -3.625
  242    H    VAL  30           H        VAL  30  -0.205  -2.751  -5.576
  243    HA   VAL  30           HA       VAL  30   0.224  -3.669  -2.932
  244    HB   VAL  30           HB       VAL  30  -2.270  -3.425  -4.625
  245   HG11  VAL  30          1HG1      VAL  30  -2.854  -5.192  -3.070
  246   HG12  VAL  30          2HG1      VAL  30  -2.141  -4.290  -1.716
  247   HG13  VAL  30          3HG1      VAL  30  -3.606  -3.697  -2.539
  248   HG21  VAL  30          3HG2      VAL  30  -2.717  -1.506  -3.168
  249   HG22  VAL  30          1HG2      VAL  30  -1.294  -1.887  -2.174
  250   HG23  VAL  30          2HG2      VAL  30  -1.091  -1.348  -3.849
  251    H    GLU  31           H        GLU  31  -0.907  -5.563  -5.787
  252    HA   GLU  31           HA       GLU  31  -1.254  -8.020  -4.372
  253    HB2  GLU  31           1HB      GLU  31  -0.699  -7.354  -7.282
  254    HB3  GLU  31           2HB      GLU  31  -0.839  -9.028  -6.719
  255    HG2  GLU  31           1HG      GLU  31  -3.070  -8.729  -5.973
  256    HG3  GLU  31           2HG      GLU  31  -3.021  -6.979  -6.183
  257    H    HIS  32           H        HIS  32   1.683  -6.678  -5.933
  258    HA   HIS  32           HA       HIS  32   3.248  -9.036  -5.203
  259    HB2  HIS  32           1HB      HIS  32   3.810  -6.380  -6.517
  260    HB3  HIS  32           2HB      HIS  32   5.102  -7.535  -6.137
  261    HD2  HIS  32           2HD      HIS  32   4.387 -10.224  -7.090
  262    HE1  HIS  32           1HE      HIS  32   2.836  -8.606 -10.707
  263    HE2  HIS  32           2HE      HIS  32   3.655 -10.733  -9.561
  264    H    GLU  33           H        GLU  33   2.514  -6.078  -3.528
  265    HA   GLU  33           HA       GLU  33   4.738  -6.426  -1.602
  266    HB2  GLU  33           1HB      GLU  33   2.465  -4.426  -1.815
  267    HB3  GLU  33           2HB      GLU  33   3.549  -4.491  -0.434
  268    HG2  GLU  33           1HG      GLU  33   4.409  -4.002  -3.312
  269    HG3  GLU  33           2HG      GLU  33   4.227  -2.779  -2.060
  270    H    SER  34           H        SER  34   1.101  -6.444  -1.329
  271    HA   SER  34           HA       SER  34   1.417  -8.059   1.184
  272    HB2  SER  34           1HB      SER  34  -0.741  -6.009   0.653
  273    HB3  SER  34           2HB      SER  34  -0.303  -6.781   2.185
  274    HG   SER  34           HG       SER  34   0.977  -4.732   0.758
  275    H    SER  35           H        SER  35   0.383  -8.514  -1.880
  276    HA   SER  35           HA       SER  35  -1.099  -9.841  -2.939
  277    HB2  SER  35           1HB      SER  35  -1.392 -11.319  -0.319
  278    HB3  SER  35           2HB      SER  35  -1.704 -11.920  -1.958
  279    HG   SER  35           HG       SER  35   0.345 -12.630  -1.232
  280    H    ARG  36           H        ARG  36  -2.226  -7.478  -1.588
  281    HA   ARG  36           HA       ARG  36  -4.179  -6.419  -1.339
  282    HB2  ARG  36           1HB      ARG  36  -5.776  -8.827  -2.247
  283    HB3  ARG  36           2HB      ARG  36  -6.175  -7.115  -2.367
  284    HG2  ARG  36           1HG      ARG  36  -4.171  -6.920  -3.976
  285    HG3  ARG  36           2HG      ARG  36  -4.151  -8.676  -4.004
  286    HD2  ARG  36           1HD      ARG  36  -6.622  -7.038  -4.704
  287    HD3  ARG  36           2HD      ARG  36  -5.458  -7.603  -5.892
  288    HE   ARG  36           HE       ARG  36  -7.086  -9.359  -4.088
  289   HH11  ARG  36          1HH1      ARG  36  -5.526  -9.007  -7.295
  290   HH12  ARG  36          2HH1      ARG  36  -5.981 -10.628  -7.732
  291   HH21  ARG  36          1HH2      ARG  36  -7.552 -11.403  -4.744
  292   HH22  ARG  36          2HH2      ARG  36  -7.146 -11.938  -6.344
  293    H    ASP  37           H        ASP  37  -3.095  -8.080   0.851
  294    HA   ASP  37           HA       ASP  37  -5.536  -8.631   2.506
  295    HB2  ASP  37           1HB      ASP  37  -4.299 -10.667   1.998
  296    HB3  ASP  37           2HB      ASP  37  -2.796  -9.913   2.506
  297    H    THR  38           H        THR  38  -5.857  -7.230   4.098
  298    HA   THR  38           HA       THR  38  -3.848  -5.248   4.811
  299    HB   THR  38           HB       THR  38  -5.353  -4.502   6.594
  300    HG1  THR  38           1HG      THR  38  -7.302  -5.392   6.841
  301   HG21  THR  38          3HG2      THR  38  -7.223  -3.744   5.194
  302   HG22  THR  38          1HG2      THR  38  -5.672  -3.571   4.366
  303   HG23  THR  38          2HG2      THR  38  -6.771  -4.912   3.939
  304    H    SER  39           H        SER  39  -4.624  -8.427   6.134
  305    HA   SER  39           HA       SER  39  -3.363  -7.945   8.711
  306    HB2  SER  39           1HB      SER  39  -4.141 -10.510   7.277
  307    HB3  SER  39           2HB      SER  39  -3.587 -10.397   8.947
  308    HG   SER  39           HG       SER  39  -5.872 -10.455   8.805
  309    H    LYS  40           H        LYS  40  -1.917  -8.173   5.681
  310    HA   LYS  40           HA       LYS  40   0.110 -10.117   6.270
  311    HB2  LYS  40           1HB      LYS  40  -0.883  -9.316   3.985
  312    HB3  LYS  40           2HB      LYS  40   0.295  -8.023   4.086
  313    HG2  LYS  40           1HG      LYS  40   1.405  -9.680   2.819
  314    HG3  LYS  40           2HG      LYS  40   2.071  -9.912   4.422
  315    HD2  LYS  40           1HD      LYS  40   1.553 -12.103   3.624
  316    HD3  LYS  40           2HD      LYS  40   0.261 -11.723   4.768
  317    HE2  LYS  40           1HE      LYS  40  -0.860 -10.735   2.491
  318    HE3  LYS  40           2HE      LYS  40   0.210 -11.930   1.762
  319    HZ1  LYS  40           3HZ      LYS  40  -1.897 -12.954   2.215
  320    HZ2  LYS  40           1HZ      LYS  40  -0.864 -13.580   3.318
  321    HZ3  LYS  40           2HZ      LYS  40  -1.944 -12.409   3.752
  322    H    THR  41           H        THR  41   2.196  -9.966   6.774
  323    HA   THR  41           HA       THR  41   3.550  -7.396   7.277
  324    HB   THR  41           HB       THR  41   4.414  -8.276   9.483
  325    HG1  THR  41           1HG      THR  41   2.970  -9.832  10.491
  326   HG21  THR  41          3HG2      THR  41   2.618  -7.571  10.874
  327   HG22  THR  41          1HG2      THR  41   2.719  -6.512   9.483
  328   HG23  THR  41          2HG2      THR  41   1.433  -7.743   9.543
  329    H    ASN  42           H        ASN  42   5.751  -7.493   7.494
  330    HA   ASN  42           HA       ASN  42   7.182 -10.019   6.968
  331    HB2  ASN  42           1HB      ASN  42   7.117  -7.626   5.072
  332    HB3  ASN  42           2HB      ASN  42   8.441  -8.776   5.084
  333   HD21  ASN  42          2HD2      ASN  42   5.143  -8.250   4.070
  334   HD22  ASN  42          1HD2      ASN  42   5.002  -9.765   3.179
  335    H    THR  43           H        THR  43   9.082 -10.069   8.079
  336    HA   THR  43           HA       THR  43  10.053  -7.664   9.503
  337    HB   THR  43           HB       THR  43  11.249 -10.458   9.524
  338    HG1  THR  43           1HG      THR  43   9.907 -10.892  11.208
  339   HG21  THR  43          3HG2      THR  43  11.926  -9.761  11.842
  340   HG22  THR  43          1HG2      THR  43  12.663  -8.748  10.599
  341   HG23  THR  43          2HG2      THR  43  11.274  -8.138  11.523
  342    H    ASN  44           H        ASN  44  12.000  -6.679   9.158
  343    HA   ASN  44           HA       ASN  44  13.404  -7.227   6.583
  344    HB2  ASN  44           1HB      ASN  44  13.388  -4.764   8.377
  345    HB3  ASN  44           2HB      ASN  44  14.254  -4.918   6.852
  346   HD21  ASN  44          2HD2      ASN  44  11.053  -4.712   8.314
  347   HD22  ASN  44          1HD2      ASN  44  10.216  -4.202   6.830
  348    H    ARG  45           H        ARG  45  15.696  -7.105   6.500
  349    HA   ARG  45           HA       ARG  45  17.134  -8.510   8.542
  350    HB2  ARG  45           1HB      ARG  45  18.245  -6.815   6.263
  351    HB3  ARG  45           2HB      ARG  45  19.136  -8.009   7.218
  352    HG2  ARG  45           1HG      ARG  45  17.514  -9.779   6.410
  353    HG3  ARG  45           2HG      ARG  45  16.771  -8.550   5.377
  354    HD2  ARG  45           1HD      ARG  45  18.273  -9.810   4.012
  355    HD3  ARG  45           2HD      ARG  45  18.978  -8.202   4.247
  356    HE   ARG  45           HE       ARG  45  19.931 -10.067   6.238
  357   HH11  ARG  45          1HH1      ARG  45  20.430  -9.275   2.826
  358   HH12  ARG  45          2HH1      ARG  45  22.048  -9.908   2.821
  359   HH21  ARG  45          1HH2      ARG  45  22.027 -10.856   6.167
  360   HH22  ARG  45          2HH2      ARG  45  22.936 -10.795   4.687
  361    H    ASN  46           H        ASN  46  16.532  -5.129   8.106
  362    HA   ASN  46           HA       ASN  46  18.544  -4.208  10.011
  363    HB2  ASN  46           1HB      ASN  46  17.689  -3.029   7.884
  364    HB3  ASN  46           2HB      ASN  46  16.243  -2.629   8.807
  365   HD21  ASN  46          2HD2      ASN  46  16.977  -0.377   8.227
  366   HD22  ASN  46          1HD2      ASN  46  18.209   0.376   9.226
  367    H    GLY  47           H        GLY  47  15.752  -5.857  10.612
  368    HA2  GLY  47           1HA      GLY  47  14.921  -6.415  12.680
  369    HA3  GLY  47           2HA      GLY  47  15.712  -5.002  13.410
  370    H    SER  48           H        SER  48  13.936  -3.769  10.883
  371    HA   SER  48           HA       SER  48  11.586  -3.067  12.548
  372    HB2  SER  48           1HB      SER  48  11.096  -1.567  10.628
  373    HB3  SER  48           2HB      SER  48  12.646  -1.257  11.412
  374    HG   SER  48           HG       SER  48  13.064  -1.262   9.230
  375    H    LYS  49           H        LYS  49   9.416  -3.186  11.488
  376    HA   LYS  49           HA       LYS  49   9.120  -5.527   9.654
  377    HB2  LYS  49           1HB      LYS  49   8.504  -5.824  12.238
  378    HB3  LYS  49           2HB      LYS  49   7.041  -4.991  11.740
  379    HG2  LYS  49           1HG      LYS  49   6.714  -6.797   9.986
  380    HG3  LYS  49           2HG      LYS  49   8.106  -7.629  10.711
  381    HD2  LYS  49           1HD      LYS  49   6.809  -7.445  12.960
  382    HD3  LYS  49           2HD      LYS  49   5.430  -6.948  11.980
  383    HE2  LYS  49           1HE      LYS  49   5.103  -9.249  12.306
  384    HE3  LYS  49           2HE      LYS  49   5.736  -9.135  10.658
  385    HZ1  LYS  49           3HZ      LYS  49   6.820 -10.892  11.928
  386    HZ2  LYS  49           1HZ      LYS  49   7.926  -9.755  11.535
  387    HZ3  LYS  49           2HZ      LYS  49   7.334  -9.836  13.061
  388    H    ASP  50           H        ASP  50   7.429  -5.509   8.300
  389    HA   ASP  50           HA       ASP  50   6.305  -2.869   7.519
  390    HB2  ASP  50           1HB      ASP  50   6.514  -5.519   6.039
  391    HB3  ASP  50           2HB      ASP  50   5.891  -4.017   5.385
  392    H    TYR  51           H        TYR  51   4.095  -2.592   7.314
  393    HA   TYR  51           HA       TYR  51   2.218  -4.787   8.108
  394    HB2  TYR  51           1HB      TYR  51   2.372  -1.942   9.178
  395    HB3  TYR  51           2HB      TYR  51   1.132  -3.112   9.588
  396    HD1  TYR  51           2HD      TYR  51   4.701  -2.196   9.995
  397    HD2  TYR  51           1HD      TYR  51   1.516  -4.793  11.276
  398    HE1  TYR  51           2HE      TYR  51   6.028  -2.840  11.978
  399    HE2  TYR  51           1HE      TYR  51   2.831  -5.433  13.286
  400    HH   TYR  51           HH       TYR  51   4.787  -5.123  14.467
  401    H    GLY  52           H        GLY  52   0.108  -4.660   7.363
  402    HA2  GLY  52           1HA      GLY  52  -1.794  -3.798   6.344
  403    HA3  GLY  52           2HA      GLY  52  -0.986  -2.227   6.202
  404    H    LEU  53           H        LEU  53  -2.435  -2.561   4.205
  405    HA   LEU  53           HA       LEU  53  -1.720  -4.420   2.231
  406    HB2  LEU  53           1HB      LEU  53  -3.801  -2.575   2.686
  407    HB3  LEU  53           2HB      LEU  53  -2.971  -1.821   1.345
  408    HG   LEU  53           HG       LEU  53  -3.086  -4.323   0.324
  409   HD11  LEU  53          1HD1      LEU  53  -4.102  -5.196   2.402
  410   HD12  LEU  53          2HD1      LEU  53  -5.509  -4.140   2.146
  411   HD13  LEU  53          3HD1      LEU  53  -5.167  -5.421   0.991
  412   HD21  LEU  53          3HD2      LEU  53  -5.194  -3.753  -0.753
  413   HD22  LEU  53          1HD2      LEU  53  -5.453  -2.425   0.414
  414   HD23  LEU  53          2HD2      LEU  53  -4.095  -2.344  -0.727
  415    H    PHE  54           H        PHE  54  -0.080  -1.529   2.815
  416    HA   PHE  54           HA       PHE  54   1.333  -1.725   0.180
  417    HB2  PHE  54           1HB      PHE  54   1.029   0.658   2.037
  418    HB3  PHE  54           2HB      PHE  54   1.921   0.645   0.528
  419    HD1  PHE  54           2HD      PHE  54  -1.485   0.418   2.005
  420    HD2  PHE  54           1HD      PHE  54   0.808   0.883  -1.610
  421    HE1  PHE  54           2HE      PHE  54  -3.548   1.029   0.788
  422    HE2  PHE  54           1HE      PHE  54  -1.259   1.539  -2.818
  423    HZ   PHE  54           HZ       PHE  54  -3.437   1.610  -1.631
  424    H    GLN  55           H        GLN  55   1.726  -3.160   2.928
  425    HA   GLN  55           HA       GLN  55   3.348  -3.675   4.419
  426    HB2  GLN  55           1HB      GLN  55   4.769  -3.696   1.740
  427    HB3  GLN  55           2HB      GLN  55   5.614  -4.200   3.198
  428    HG2  GLN  55           1HG      GLN  55   3.336  -5.531   1.798
  429    HG3  GLN  55           2HG      GLN  55   4.908  -6.168   2.193
  430   HE21  GLN  55          2HE2      GLN  55   1.625  -5.667   3.402
  431   HE22  GLN  55          1HE2      GLN  55   1.903  -6.412   4.972
  432    H    ILE  56           H        ILE  56   2.927  -1.372   5.209
  433    HA   ILE  56           HA       ILE  56   5.060   0.584   4.728
  434    HB   ILE  56           HB       ILE  56   2.706   0.835   6.645
  435   HG12  ILE  56          1HG1      ILE  56   2.889   1.444   3.650
  436   HG13  ILE  56          2HG1      ILE  56   1.796   0.262   4.403
  437   HG21  ILE  56          1HG2      ILE  56   4.577   2.448   6.834
  438   HG22  ILE  56          2HG2      ILE  56   4.308   2.933   5.145
  439   HG23  ILE  56          3HG2      ILE  56   3.057   3.198   6.387
  440   HD11  ILE  56          3HD1      ILE  56   0.436   2.086   3.858
  441   HD12  ILE  56          1HD1      ILE  56   0.720   2.273   5.602
  442   HD13  ILE  56          2HD1      ILE  56   1.624   3.259   4.420
  443    H    ASN  57           H        ASN  57   6.706   1.097   6.091
  444    HA   ASN  57           HA       ASN  57   7.233  -0.874   8.184
  445    HB2  ASN  57           1HB      ASN  57   8.765  -0.411   6.299
  446    HB3  ASN  57           2HB      ASN  57   9.018   1.219   6.943
  447   HD21  ASN  57          2HD2      ASN  57   9.753  -2.183   7.303
  448   HD22  ASN  57          1HD2      ASN  57  10.995  -1.960   8.543
  449    H    ASP  58           H        ASP  58   7.517  -0.559  10.253
  450    HA   ASP  58           HA       ASP  58   6.409   1.624  11.611
  451    HB2  ASP  58           1HB      ASP  58   6.928   0.535  13.588
  452    HB3  ASP  58           2HB      ASP  58   6.609  -0.733  12.418
  453    H    ARG  59           H        ARG  59   9.621   1.519  10.418
  454    HA   ARG  59           HA       ARG  59  10.763   3.241  12.505
  455    HB2  ARG  59           1HB      ARG  59  11.904   1.317  11.399
  456    HB3  ARG  59           2HB      ARG  59  11.976   2.243   9.902
  457    HG2  ARG  59           1HG      ARG  59  13.489   3.828  10.795
  458    HG3  ARG  59           2HG      ARG  59  13.147   3.375  12.466
  459    HD2  ARG  59           1HD      ARG  59  14.462   1.522  10.438
  460    HD3  ARG  59           2HD      ARG  59  15.365   2.561  11.559
  461    HE   ARG  59           HE       ARG  59  13.630   1.151  13.193
  462   HH11  ARG  59          1HH1      ARG  59  16.230   0.211  10.984
  463   HH12  ARG  59          2HH1      ARG  59  16.520  -1.284  11.838
  464   HH21  ARG  59          1HH2      ARG  59  14.110  -0.791  14.254
  465   HH22  ARG  59          2HH2      ARG  59  15.381  -1.811  13.639
  466    H    TYR  60           H        TYR  60   9.019   3.780   9.627
  467    HA   TYR  60           HA       TYR  60  10.183   6.533   9.272
  468    HB2  TYR  60           1HB      TYR  60   9.304   4.551   7.149
  469    HB3  TYR  60           2HB      TYR  60   9.946   6.151   6.847
  470    HD1  TYR  60           2HD      TYR  60  12.352   6.522   8.252
  471    HD2  TYR  60           1HD      TYR  60  10.763   2.764   6.861
  472    HE1  TYR  60           2HE      TYR  60  14.621   5.525   8.361
  473    HE2  TYR  60           1HE      TYR  60  13.030   1.757   6.979
  474    HH   TYR  60           HH       TYR  60  15.898   3.631   8.059
  475    H    TRP  61           H        TRP  61   7.315   4.686   8.139
  476    HA   TRP  61           HA       TRP  61   5.873   7.259   7.878
  477    HB2  TRP  61           1HB      TRP  61   5.147   4.525   6.874
  478    HB3  TRP  61           2HB      TRP  61   4.529   6.035   6.278
  479    HD1  TRP  61           HD       TRP  61   6.911   3.428   5.504
  480    HE1  TRP  61           1HE      TRP  61   8.623   4.117   3.725
  481    HE3  TRP  61           3HE      TRP  61   6.067   8.486   5.473
  482    HZ2  TRP  61           2HZ      TRP  61   9.422   6.523   2.354
  483    HZ3  TRP  61           3HZ      TRP  61   7.288   9.943   3.887
  484    HH2  TRP  61           HH       TRP  61   8.962   8.980   2.321
  485    H    CYS  62           H        CYS  62   5.136   3.952   9.121
  486    HA   CYS  62           HA       CYS  62   3.033   5.086  10.899
  487    HB2  CYS  62           1HB      CYS  62   2.400   2.647  11.169
  488    HB3  CYS  62           2HB      CYS  62   2.129   3.347   9.597
  489    H    SER  63           H        SER  63   2.848   3.966  13.051
  490    HA   SER  63           HA       SER  63   5.517   3.713  14.411
  491    HB2  SER  63           1HB      SER  63   4.148   5.729  14.980
  492    HB3  SER  63           2HB      SER  63   2.834   4.665  15.488
  493    HG   SER  63           HG       SER  63   3.954   5.132  17.316
  494    H    LYS  64           H        LYS  64   5.929   1.877  15.544
  495    HA   LYS  64           HA       LYS  64   3.911  -0.266  15.714
  496    HB2  LYS  64           1HB      LYS  64   5.779  -1.591  16.650
  497    HB3  LYS  64           2HB      LYS  64   6.127  -0.933  15.067
  498    HG2  LYS  64           1HG      LYS  64   7.624   0.714  15.942
  499    HG3  LYS  64           2HG      LYS  64   7.006   0.543  17.591
  500    HD2  LYS  64           1HD      LYS  64   7.961  -1.630  17.851
  501    HD3  LYS  64           2HD      LYS  64   8.459  -1.690  16.135
  502    HE2  LYS  64           1HE      LYS  64   9.909   0.283  16.493
  503    HE3  LYS  64           2HE      LYS  64   9.422   0.349  18.193
  504    HZ1  LYS  64           3HZ      LYS  64  11.546  -0.795  17.927
  505    HZ2  LYS  64           1HZ      LYS  64  10.435  -1.849  18.494
  506    HZ3  LYS  64           2HZ      LYS  64  10.886  -1.901  16.921
  507    H    GLY  65           H        GLY  65   4.696   2.303  17.758
  508    HA2  GLY  65           1HA      GLY  65   4.742   0.897  20.316
  509    HA3  GLY  65           2HA      GLY  65   4.764   2.641  20.050
  510    H    ALA  66           H        ALA  66   3.340   2.677  21.943
  511    HA   ALA  66           HA       ALA  66   0.680   1.519  21.833
  512    HB1  ALA  66           1HB      ALA  66   1.947   1.871  23.935
  513    HB2  ALA  66           2HB      ALA  66   1.879   3.633  23.680
  514    HB3  ALA  66           3HB      ALA  66   0.388   2.713  23.965
  515    H    SER  67           H        SER  67   1.898   4.205  20.218
  516    HA   SER  67           HA       SER  67  -0.765   5.445  19.807
  517    HB2  SER  67           1HB      SER  67   1.678   6.906  20.894
  518    HB3  SER  67           2HB      SER  67   0.237   7.707  20.256
  519    HG   SER  67           HG       SER  67   0.192   7.503  22.556
  520    HA   PRO  68           HA       PRO  68   1.075   6.256  15.725
  521    HB2  PRO  68           1HB      PRO  68  -0.488   8.314  14.852
  522    HB3  PRO  68           2HB      PRO  68  -1.096   6.633  14.981
  523    HG2  PRO  68           1HG      PRO  68  -1.441   8.893  16.972
  524    HG3  PRO  68           2HG      PRO  68  -2.697   7.796  16.313
  525    HD2  PRO  68           1HD      PRO  68  -1.502   7.345  18.716
  526    HD3  PRO  68           2HD      PRO  68  -1.950   5.993  17.634
  527    H    GLY  69           H        GLY  69   2.605   7.761  14.880
  528    HA2  GLY  69           1HA      GLY  69   3.188  10.352  15.880
  529    HA3  GLY  69           2HA      GLY  69   3.968   9.221  16.967
  530    H    LYS  70           H        LYS  70   3.694   8.698  13.478
  531    HA   LYS  70           HA       LYS  70   6.589   9.347  13.069
  532    HB2  LYS  70           1HB      LYS  70   5.026   6.899  12.221
  533    HB3  LYS  70           2HB      LYS  70   6.481   7.371  11.365
  534    HG2  LYS  70           1HG      LYS  70   6.781   7.276  14.343
  535    HG3  LYS  70           2HG      LYS  70   6.409   5.757  13.578
  536    HD2  LYS  70           1HD      LYS  70   8.789   5.996  13.827
  537    HD3  LYS  70           2HD      LYS  70   8.359   5.928  12.115
  538    HE2  LYS  70           1HE      LYS  70   8.687   8.318  11.856
  539    HE3  LYS  70           2HE      LYS  70   8.823   8.548  13.608
  540    HZ1  LYS  70           3HZ      LYS  70  10.995   8.534  12.482
  541    HZ2  LYS  70           1HZ      LYS  70  10.891   7.335  13.583
  542    HZ3  LYS  70           2HZ      LYS  70  10.770   6.985  11.992
  543    H    ASP  71           H        ASP  71   6.665   9.066  10.281
  544    HA   ASP  71           HA       ASP  71   6.004  11.726   9.704
  545    HB2  ASP  71           1HB      ASP  71   7.756  10.329   8.599
  546    HB3  ASP  71           2HB      ASP  71   6.488   9.536   7.660
  547    H    CYS  72           H        CYS  72   3.964   8.899   9.109
  548    HA   CYS  72           HA       CYS  72   1.931  10.617   7.733
  549    HB2  CYS  72           1HB      CYS  72   2.228   7.614   7.862
  550    HB3  CYS  72           2HB      CYS  72   0.964   8.493   7.003
  551    H    ASN  73           H        ASN  73   2.553  10.050  10.833
  552    HA   ASN  73           HA       ASN  73   1.384  10.023  12.754
  553    HB2  ASN  73           1HB      ASN  73   0.903  12.224  11.679
  554    HB3  ASN  73           2HB      ASN  73  -0.618  11.572  11.069
  555   HD21  ASN  73          2HD2      ASN  73  -1.834  13.166  12.289
  556   HD22  ASN  73          1HD2      ASN  73  -1.984  13.030  14.033
  557    H    VAL  74           H        VAL  74   1.144   7.594  11.848
  558    HA   VAL  74           HA       VAL  74  -1.562   6.660  12.560
  559    HB   VAL  74           HB       VAL  74  -1.586   7.072  10.117
  560   HG11  VAL  74          1HG1      VAL  74   0.812   6.606   9.592
  561   HG12  VAL  74          2HG1      VAL  74   0.515   4.878   9.887
  562   HG13  VAL  74          3HG1      VAL  74  -0.309   5.706   8.557
  563   HG21  VAL  74          3HG2      VAL  74  -2.542   4.961   9.453
  564   HG22  VAL  74          1HG2      VAL  74  -1.724   4.111  10.778
  565   HG23  VAL  74          2HG2      VAL  74  -2.992   5.308  11.132
  566    H    LYS  75           H        LYS  75  -1.624   4.609  13.380
  567    HA   LYS  75           HA       LYS  75   0.952   3.489  14.296
  568    HB2  LYS  75           1HB      LYS  75  -1.130   4.179  15.685
  569    HB3  LYS  75           2HB      LYS  75  -1.819   2.641  15.152
  570    HG2  LYS  75           1HG      LYS  75   0.086   1.446  16.225
  571    HG3  LYS  75           2HG      LYS  75   0.825   3.000  16.620
  572    HD2  LYS  75           1HD      LYS  75  -0.161   2.288  18.603
  573    HD3  LYS  75           2HD      LYS  75  -1.217   3.555  18.029
  574    HE2  LYS  75           1HE      LYS  75  -1.840   0.654  17.369
  575    HE3  LYS  75           2HE      LYS  75  -2.075   1.224  19.018
  576    HZ1  LYS  75           3HZ      LYS  75  -4.110   1.468  17.818
  577    HZ2  LYS  75           1HZ      LYS  75  -3.555   2.964  18.148
  578    HZ3  LYS  75           2HZ      LYS  75  -3.444   2.349  16.627
  579    H    CYS  76           H        CYS  76   1.753   1.538  13.636
  580    HA   CYS  76           HA       CYS  76   1.137   0.190  11.293
  581    HB2  CYS  76           1HB      CYS  76   2.294  -0.968  13.863
  582    HB3  CYS  76           2HB      CYS  76   2.448  -1.666  12.257
  583    H    SER  77           H        SER  77  -0.262  -0.539  14.515
  584    HA   SER  77           HA       SER  77  -1.638  -2.934  13.705
  585    HB2  SER  77           1HB      SER  77  -1.024  -2.226  16.049
  586    HB3  SER  77           2HB      SER  77  -2.379  -1.081  15.989
  587    HG   SER  77           HG       SER  77  -2.942  -3.127  16.944
  588    H    ASP  78           H        ASP  78  -2.642   0.517  13.476
  589    HA   ASP  78           HA       ASP  78  -5.406  -0.124  12.790
  590    HB2  ASP  78           1HB      ASP  78  -3.739   2.415  12.602
  591    HB3  ASP  78           2HB      ASP  78  -5.411   2.306  12.075
  592    H    LEU  79           H        LEU  79  -2.434  -0.411  11.107
  593    HA   LEU  79           HA       LEU  79  -3.653  -0.117   8.433
  594    HB2  LEU  79           1HB      LEU  79  -0.984  -1.404   9.063
  595    HB3  LEU  79           2HB      LEU  79  -1.555  -0.703   7.556
  596    HG   LEU  79           HG       LEU  79  -0.757   0.827  10.060
  597   HD11  LEU  79          1HD1      LEU  79   1.119  -0.047   8.772
  598   HD12  LEU  79          2HD1      LEU  79   0.420   0.569   7.263
  599   HD13  LEU  79          3HD1      LEU  79   0.998   1.700   8.499
  600   HD21  LEU  79          3HD2      LEU  79  -1.085   2.872   8.661
  601   HD22  LEU  79          1HD2      LEU  79  -1.851   1.858   7.424
  602   HD23  LEU  79          2HD2      LEU  79  -2.608   2.045   9.019
  603    H    LEU  80           H        LEU  80  -3.565  -2.524  10.865
  604    HA   LEU  80           HA       LEU  80  -3.917  -4.786   8.995
  605    HB2  LEU  80           1HB      LEU  80  -3.802  -4.814  12.021
  606    HB3  LEU  80           2HB      LEU  80  -3.698  -6.199  10.942
  607    HG   LEU  80           HG       LEU  80  -1.631  -3.992  11.215
  608   HD11  LEU  80          1HD1      LEU  80  -1.768  -5.531  13.148
  609   HD12  LEU  80          2HD1      LEU  80  -1.586  -6.923  12.056
  610   HD13  LEU  80          3HD1      LEU  80  -0.258  -5.764  12.257
  611   HD21  LEU  80          3HD2      LEU  80  -0.172  -5.445   9.803
  612   HD22  LEU  80          1HD2      LEU  80  -1.568  -6.489   9.475
  613   HD23  LEU  80          2HD2      LEU  80  -1.556  -4.794   8.926
  614    H    THR  81           H        THR  81  -5.967  -2.518   9.891
  615    HA   THR  81           HA       THR  81  -8.203  -4.073  10.967
  616    HB   THR  81           HB       THR  81  -7.617  -1.756  11.652
  617    HG1  THR  81           1HG      THR  81  -9.786  -1.230  11.850
  618   HG21  THR  81          3HG2      THR  81  -8.129   0.133  10.379
  619   HG22  THR  81          1HG2      THR  81  -7.315  -0.910   9.212
  620   HG23  THR  81          2HG2      THR  81  -9.084  -0.782   9.182
  621    H    ASP  82           H        ASP  82 -10.393  -3.266   9.812
  622    HA   ASP  82           HA       ASP  82 -10.351  -4.930   7.357
  623    HB2  ASP  82           1HB      ASP  82 -12.688  -4.026   9.079
  624    HB3  ASP  82           2HB      ASP  82 -12.742  -5.239   7.799
  625    H    ASP  83           H        ASP  83  -9.891  -1.857   7.597
  626    HA   ASP  83           HA       ASP  83 -11.041  -1.332   4.931
  627    HB2  ASP  83           1HB      ASP  83 -12.496  -0.141   6.606
  628    HB3  ASP  83           2HB      ASP  83 -11.088   0.798   7.101
  629    H    ILE  84           H        ILE  84  -9.498  -0.725   3.616
  630    HA   ILE  84           HA       ILE  84  -6.749  -0.756   4.463
  631    HB   ILE  84           HB       ILE  84  -6.215  -0.683   2.151
  632   HG12  ILE  84          1HG1      ILE  84  -9.048   0.305   1.580
  633   HG13  ILE  84          2HG1      ILE  84  -7.587   1.292   1.566
  634   HG21  ILE  84          1HG2      ILE  84  -7.494  -2.735   2.994
  635   HG22  ILE  84          2HG2      ILE  84  -8.932  -2.076   2.218
  636   HG23  ILE  84          3HG2      ILE  84  -7.528  -2.514   1.242
  637   HD11  ILE  84          3HD1      ILE  84  -8.210   0.776  -0.674
  638   HD12  ILE  84          1HD1      ILE  84  -6.650   0.005  -0.273
  639   HD13  ILE  84          2HD1      ILE  84  -8.148  -0.967  -0.357
  640    H    THR  85           H        THR  85  -8.954   1.823   4.384
  641    HA   THR  85           HA       THR  85  -7.646   3.970   3.256
  642    HB   THR  85           HB       THR  85  -9.944   3.934   3.942
  643    HG1  THR  85           1HG      THR  85 -10.012   6.072   4.509
  644   HG21  THR  85          3HG2      THR  85 -10.680   4.411   6.182
  645   HG22  THR  85          1HG2      THR  85  -9.645   2.979   6.260
  646   HG23  THR  85          2HG2      THR  85  -9.009   4.558   6.770
  647    H    LYS  86           H        LYS  86  -7.062   2.812   6.565
  648    HA   LYS  86           HA       LYS  86  -5.403   5.008   7.379
  649    HB2  LYS  86           1HB      LYS  86  -5.306   2.095   8.265
  650    HB3  LYS  86           2HB      LYS  86  -4.655   3.470   9.152
  651    HG2  LYS  86           1HG      LYS  86  -7.606   2.914   8.608
  652    HG3  LYS  86           2HG      LYS  86  -6.752   2.693  10.129
  653    HD2  LYS  86           1HD      LYS  86  -6.285   5.152  10.214
  654    HD3  LYS  86           2HD      LYS  86  -7.256   5.358   8.734
  655    HE2  LYS  86           1HE      LYS  86  -9.220   4.359   9.878
  656    HE3  LYS  86           2HE      LYS  86  -8.261   4.138  11.347
  657    HZ1  LYS  86           3HZ      LYS  86  -9.596   6.155  11.458
  658    HZ2  LYS  86           1HZ      LYS  86  -8.014   6.557  11.472
  659    HZ3  LYS  86           2HZ      LYS  86  -8.901   6.763  10.111
  660    H    ALA  87           H        ALA  87  -4.695   2.166   5.440
  661    HA   ALA  87           HA       ALA  87  -1.776   2.722   5.375
  662    HB1  ALA  87           1HB      ALA  87  -2.748   0.366   5.551
  663    HB2  ALA  87           2HB      ALA  87  -3.386   0.578   3.903
  664    HB3  ALA  87           3HB      ALA  87  -1.632   0.624   4.206
  665    H    ALA  88           H        ALA  88  -4.637   2.790   3.237
  666    HA   ALA  88           HA       ALA  88  -3.306   3.522   0.859
  667    HB1  ALA  88           1HB      ALA  88  -5.633   2.599   1.110
  668    HB2  ALA  88           2HB      ALA  88  -6.163   4.196   1.698
  669    HB3  ALA  88           3HB      ALA  88  -5.531   4.007   0.055
  670    H    LYS  89           H        LYS  89  -4.786   5.720   3.321
  671    HA   LYS  89           HA       LYS  89  -4.073   8.133   1.887
  672    HB2  LYS  89           1HB      LYS  89  -4.788   7.542   4.776
  673    HB3  LYS  89           2HB      LYS  89  -4.504   9.177   4.153
  674    HG2  LYS  89           1HG      LYS  89  -6.315   8.932   2.516
  675    HG3  LYS  89           2HG      LYS  89  -6.618   7.268   3.043
  676    HD2  LYS  89           1HD      LYS  89  -7.252   8.044   5.278
  677    HD3  LYS  89           2HD      LYS  89  -6.878   9.727   4.830
  678    HE2  LYS  89           1HE      LYS  89  -8.606   9.654   3.059
  679    HE3  LYS  89           2HE      LYS  89  -8.952   7.965   3.449
  680    HZ1  LYS  89           3HZ      LYS  89 -10.543   9.458   4.504
  681    HZ2  LYS  89           1HZ      LYS  89  -9.674   8.690   5.657
  682    HZ3  LYS  89           2HZ      LYS  89  -9.356  10.255   5.296
  683    H    CYS  90           H        CYS  90  -2.333   6.172   4.257
  684    HA   CYS  90           HA       CYS  90  -0.054   7.971   4.568
  685    HB2  CYS  90           1HB      CYS  90  -0.547   6.362   6.253
  686    HB3  CYS  90           2HB      CYS  90  -0.552   5.023   5.101
  687    H    ALA  91           H        ALA  91  -0.792   5.233   2.364
  688    HA   ALA  91           HA       ALA  91   1.628   5.271   0.905
  689    HB1  ALA  91           1HB      ALA  91  -0.077   3.476   0.863
  690    HB2  ALA  91           2HB      ALA  91  -1.172   4.538  -0.034
  691    HB3  ALA  91           3HB      ALA  91   0.355   4.027  -0.771
  692    H    LYS  92           H        LYS  92  -1.318   7.366   0.387
  693    HA   LYS  92           HA       LYS  92  -0.288   8.648  -1.940
  694    HB2  LYS  92           1HB      LYS  92  -1.899  10.035   0.231
  695    HB3  LYS  92           2HB      LYS  92  -1.770  10.479  -1.461
  696    HG2  LYS  92           1HG      LYS  92  -3.263   8.155  -0.245
  697    HG3  LYS  92           2HG      LYS  92  -3.915   9.536  -1.055
  698    HD2  LYS  92           1HD      LYS  92  -2.436   7.187  -2.283
  699    HD3  LYS  92           2HD      LYS  92  -4.124   7.610  -2.482
  700    HE2  LYS  92           1HE      LYS  92  -1.760   9.234  -3.541
  701    HE3  LYS  92           2HE      LYS  92  -2.749   8.128  -4.490
  702    HZ1  LYS  92           3HZ      LYS  92  -3.453  10.438  -4.756
  703    HZ2  LYS  92           1HZ      LYS  92  -4.664   9.559  -4.111
  704    HZ3  LYS  92           2HZ      LYS  92  -3.790  10.573  -3.164
  705    H    LYS  93           H        LYS  93   0.343   9.404   1.509
  706    HA   LYS  93           HA       LYS  93   2.010  11.693   0.908
  707    HB2  LYS  93           1HB      LYS  93   0.806  11.312   3.062
  708    HB3  LYS  93           2HB      LYS  93   1.967  10.035   3.460
  709    HG2  LYS  93           1HG      LYS  93   3.816  11.643   3.428
  710    HG3  LYS  93           2HG      LYS  93   2.753  12.907   2.784
  711    HD2  LYS  93           1HD      LYS  93   1.453  12.861   4.914
  712    HD3  LYS  93           2HD      LYS  93   2.590  11.647   5.552
  713    HE2  LYS  93           1HE      LYS  93   4.477  13.221   5.179
  714    HE3  LYS  93           2HE      LYS  93   3.353  14.430   4.541
  715    HZ1  LYS  93           3HZ      LYS  93   3.857  14.863   6.853
  716    HZ2  LYS  93           1HZ      LYS  93   2.276  14.453   6.742
  717    HZ3  LYS  93           2HZ      LYS  93   3.378  13.368   7.308
  718    H    ILE  94           H        ILE  94   2.701   8.271   0.882
  719    HA   ILE  94           HA       ILE  94   5.623   8.667   0.639
  720    HB   ILE  94           HB       ILE  94   3.878   6.251   0.015
  721   HG12  ILE  94          1HG1      ILE  94   5.742   6.763   2.370
  722   HG13  ILE  94          2HG1      ILE  94   4.004   6.973   2.459
  723   HG21  ILE  94          1HG2      ILE  94   5.948   6.239  -1.321
  724   HG22  ILE  94          2HG2      ILE  94   6.911   6.583   0.129
  725   HG23  ILE  94          3HG2      ILE  94   6.058   5.031  -0.049
  726   HD11  ILE  94          3HD1      ILE  94   4.510   4.852   3.414
  727   HD12  ILE  94          1HD1      ILE  94   3.690   4.556   1.873
  728   HD13  ILE  94          2HD1      ILE  94   5.455   4.346   2.007
  729    H    TYR  95           H        TYR  95   2.936   7.963  -1.660
  730    HA   TYR  95           HA       TYR  95   4.423   8.102  -4.022
  731    HB2  TYR  95           1HB      TYR  95   2.424   7.221  -4.415
  732    HB3  TYR  95           2HB      TYR  95   1.579   8.223  -3.249
  733    HD1  TYR  95           2HD      TYR  95   0.971  10.633  -3.872
  734    HD2  TYR  95           1HD      TYR  95   2.160   7.645  -6.742
  735    HE1  TYR  95           2HE      TYR  95  -0.088  11.958  -5.685
  736    HE2  TYR  95           1HE      TYR  95   1.128   8.980  -8.562
  737    HH   TYR  95           HH       TYR  95  -0.539  12.098  -7.941
  738    H    LYS  96           H        LYS  96   3.254  10.853  -2.103
  739    HA   LYS  96           HA       LYS  96   3.638  12.988  -3.845
  740    HB2  LYS  96           1HB      LYS  96   2.468  12.873  -1.671
  741    HB3  LYS  96           2HB      LYS  96   3.970  12.441  -0.867
  742    HG2  LYS  96           1HG      LYS  96   3.373  14.675  -0.374
  743    HG3  LYS  96           2HG      LYS  96   4.903  14.603  -1.243
  744    HD2  LYS  96           1HD      LYS  96   3.624  16.504  -2.055
  745    HD3  LYS  96           2HD      LYS  96   3.718  15.296  -3.344
  746    HE2  LYS  96           1HE      LYS  96   1.429  14.506  -2.780
  747    HE3  LYS  96           2HE      LYS  96   1.351  15.661  -1.443
  748    HZ1  LYS  96           3HZ      LYS  96   0.235  16.513  -3.416
  749    HZ2  LYS  96           1HZ      LYS  96   1.518  17.459  -3.070
  750    HZ3  LYS  96           2HZ      LYS  96   1.597  16.396  -4.311
  751    H    ARG  97           H        ARG  97   6.055  10.961  -2.293
  752    HA   ARG  97           HA       ARG  97   8.278  12.765  -3.206
  753    HB2  ARG  97           1HB      ARG  97   8.302  10.682  -0.985
  754    HB3  ARG  97           2HB      ARG  97   9.635  11.733  -1.448
  755    HG2  ARG  97           1HG      ARG  97   6.989  12.589  -0.191
  756    HG3  ARG  97           2HG      ARG  97   8.566  12.533   0.595
  757    HD2  ARG  97           1HD      ARG  97   9.409  14.313  -0.885
  758    HD3  ARG  97           2HD      ARG  97   7.866  14.341  -1.751
  759    HE   ARG  97           HE       ARG  97   7.858  14.836   1.174
  760   HH11  ARG  97          1HH1      ARG  97   7.470  16.256  -2.051
  761   HH12  ARG  97          2HH1      ARG  97   6.757  17.709  -1.417
  762   HH21  ARG  97          1HH2      ARG  97   6.920  16.725   1.910
  763   HH22  ARG  97          2HH2      ARG  97   6.442  17.963   0.790
  764    H    HIS  98           H        HIS  98   7.091   9.452  -3.082
  765    HA   HIS  98           HA       HIS  98   8.861   8.607  -5.333
  766    HB2  HIS  98           1HB      HIS  98   8.503   7.230  -2.639
  767    HB3  HIS  98           2HB      HIS  98   9.277   6.501  -4.041
  768    HD2  HIS  98           2HD      HIS  98  10.007   8.636  -1.061
  769    HE1  HIS  98           1HE      HIS  98  13.496   8.904  -3.487
  770    HE2  HIS  98           2HE      HIS  98  12.518   9.414  -1.189
  771    H    ARG  99           H        ARG  99   6.902   8.870  -6.540
  772    HA   ARG  99           HA       ARG  99   4.412   8.145  -6.185
  773    HB2  ARG  99           1HB      ARG  99   3.982   7.819  -8.499
  774    HB3  ARG  99           2HB      ARG  99   4.939   9.245  -8.147
  775    HG2  ARG  99           1HG      ARG  99   6.251   6.655  -9.059
  776    HG3  ARG  99           2HG      ARG  99   5.522   7.767 -10.207
  777    HD2  ARG  99           1HD      ARG  99   6.982   9.524  -9.667
  778    HD3  ARG  99           2HD      ARG  99   7.535   8.803  -8.198
  779    HE   ARG  99           HE       ARG  99   8.922   7.322  -9.166
  780   HH11  ARG  99          1HH1      ARG  99   7.359   9.052 -11.843
  781   HH12  ARG  99          2HH1      ARG  99   8.484   8.404 -13.001
  782   HH21  ARG  99          1HH2      ARG  99  10.250   6.559 -10.597
  783   HH22  ARG  99          2HH2      ARG  99  10.155   6.981 -12.299
  784    H    PHE 100           H        PHE 100   6.752   5.752  -7.328
  785    HA   PHE 100           HA       PHE 100   5.182   3.528  -6.112
  786    HB2  PHE 100           1HB      PHE 100   6.400   3.446  -8.884
  787    HB3  PHE 100           2HB      PHE 100   5.516   2.163  -8.061
  788    HD1  PHE 100           1HD      PHE 100   3.057   2.772  -7.291
  789    HD2  PHE 100           2HD      PHE 100   5.212   4.737 -10.466
  790    HE1  PHE 100           1HE      PHE 100   0.925   3.509  -8.275
  791    HE2  PHE 100           2HE      PHE 100   3.062   5.491 -11.449
  792    HZ   PHE 100           HZ       PHE 100   0.913   4.877 -10.357
  793    H    ASP 101           H        ASP 101   8.131   5.135  -6.420
  794    HA   ASP 101           HA       ASP 101   9.974   3.010  -6.780
  795    HB2  ASP 101           1HB      ASP 101  10.744   5.694  -5.653
  796    HB3  ASP 101           2HB      ASP 101  11.583   4.698  -6.828
  797    H    ALA 102           H        ALA 102   8.381   4.037  -3.947
  798    HA   ALA 102           HA       ALA 102  10.462   3.331  -2.013
  799    HB1  ALA 102           1HB      ALA 102   8.805   5.100  -1.566
  800    HB2  ALA 102           2HB      ALA 102   7.485   3.914  -1.706
  801    HB3  ALA 102           3HB      ALA 102   8.661   3.791  -0.383
  802    H    TRP 103           H        TRP 103   8.483   1.441  -3.967
  803    HA   TRP 103           HA       TRP 103   8.380  -0.842  -2.028
  804    HB2  TRP 103           1HB      TRP 103   6.498  -0.042  -4.284
  805    HB3  TRP 103           2HB      TRP 103   6.366  -1.519  -3.345
  806    HD1  TRP 103           HD       TRP 103   5.695  -1.290  -0.756
  807    HE1  TRP 103           1HE      TRP 103   4.196   0.368   0.441
  808    HE3  TRP 103           3HE      TRP 103   5.931   2.555  -4.115
  809    HZ2  TRP 103           2HZ      TRP 103   3.064   3.005  -0.074
  810    HZ3  TRP 103           3HZ      TRP 103   4.621   4.627  -3.753
  811    HH2  TRP 103           HH       TRP 103   3.140   4.843  -1.767
  812    H    TYR 104           H        TYR 104   9.016  -2.802  -2.588
  813    HA   TYR 104           HA       TYR 104  10.978  -2.838  -4.741
  814    HB2  TYR 104           1HB      TYR 104  11.395  -3.640  -2.402
  815    HB3  TYR 104           2HB      TYR 104  10.316  -5.001  -2.717
  816    HD1  TYR 104           2HD      TYR 104  13.372  -3.249  -3.911
  817    HD2  TYR 104           1HD      TYR 104  11.142  -6.928  -3.915
  818    HE1  TYR 104           2HE      TYR 104  15.251  -4.378  -5.123
  819    HE2  TYR 104           1HE      TYR 104  13.008  -8.072  -5.116
  820    HH   TYR 104           HH       TYR 104  16.006  -6.339  -6.069
  821    H    GLY 105           H        GLY 105   7.911  -4.565  -4.074
  822    HA2  GLY 105           1HA      GLY 105   8.130  -6.494  -6.189
  823    HA3  GLY 105           2HA      GLY 105   6.628  -5.945  -5.398
  824    H    TRP 106           H        TRP 106   7.087  -3.112  -6.182
  825    HA   TRP 106           HA       TRP 106   5.923  -3.117  -8.798
  826    HB2  TRP 106           1HB      TRP 106   5.383  -1.388  -7.281
  827    HB3  TRP 106           2HB      TRP 106   7.070  -0.912  -7.091
  828    HD1  TRP 106           HD       TRP 106   4.161  -0.689  -9.580
  829    HE1  TRP 106           1HE      TRP 106   4.704   1.069 -11.370
  830    HE3  TRP 106           3HE      TRP 106   8.979   0.341  -8.242
  831    HZ2  TRP 106           2HZ      TRP 106   6.987   2.667 -12.171
  832    HZ3  TRP 106           3HZ      TRP 106  10.356   1.901  -9.561
  833    HH2  TRP 106           HH       TRP 106   9.369   3.100 -11.526
  834    H    LYS 107           H        LYS 107   9.273  -2.374  -7.715
  835    HA   LYS 107           HA       LYS 107  10.164  -2.011 -10.491
  836    HB2  LYS 107           1HB      LYS 107  12.366  -1.576  -9.523
  837    HB3  LYS 107           2HB      LYS 107  11.092  -0.559  -8.861
  838    HG2  LYS 107           1HG      LYS 107  10.979  -2.009  -6.853
  839    HG3  LYS 107           2HG      LYS 107  12.284  -3.014  -7.510
  840    HD2  LYS 107           1HD      LYS 107  13.289  -1.576  -5.924
  841    HD3  LYS 107           2HD      LYS 107  13.731  -0.900  -7.501
  842    HE2  LYS 107           1HE      LYS 107  11.908   0.780  -7.292
  843    HE3  LYS 107           2HE      LYS 107  11.383   0.040  -5.776
  844    HZ1  LYS 107           3HZ      LYS 107  12.720   1.936  -5.289
  845    HZ2  LYS 107           1HZ      LYS 107  13.583   0.627  -4.846
  846    HZ3  LYS 107           2HZ      LYS 107  13.970   1.421  -6.226
  847    H    ASN 108           H        ASN 108   9.902  -4.752  -8.403
  848    HA   ASN 108           HA       ASN 108  11.834  -6.336  -9.964
  849    HB2  ASN 108           1HB      ASN 108  11.626  -6.401  -7.459
  850    HB3  ASN 108           2HB      ASN 108  10.064  -7.201  -7.655
  851   HD21  ASN 108          2HD2      ASN 108  13.591  -7.520  -8.040
  852   HD22  ASN 108          1HD2      ASN 108  13.573  -9.257  -8.278
  853    H    HIS 109           H        HIS 109   8.278  -6.069  -9.732
  854    HA   HIS 109           HA       HIS 109   8.014  -8.190 -11.851
  855    HB2  HIS 109           1HB      HIS 109   6.089  -7.496  -9.608
  856    HB3  HIS 109           2HB      HIS 109   5.863  -8.729 -10.841
  857    HD2  HIS 109           2HD      HIS 109   7.246  -8.253  -7.422
  858    HE1  HIS 109           1HE      HIS 109   8.677 -12.061  -8.668
  859    HE2  HIS 109           2HE      HIS 109   8.412 -10.494  -6.679
  860    H    CYS 110           H        CYS 110   6.408  -5.180 -10.643
  861    HA   CYS 110           HA       CYS 110   4.490  -5.128 -12.751
  862    HB2  CYS 110           1HB      CYS 110   5.408  -2.778 -11.068
  863    HB3  CYS 110           2HB      CYS 110   3.897  -2.930 -11.938
  864    H    GLN 111           H        GLN 111   7.765  -4.382 -13.077
  865    HA   GLN 111           HA       GLN 111   7.559  -2.354 -15.171
  866    HB2  GLN 111           1HB      GLN 111   9.842  -4.294 -14.603
  867    HB3  GLN 111           2HB      GLN 111   9.925  -2.799 -15.528
  868    HG2  GLN 111           1HG      GLN 111   9.492  -3.075 -12.530
  869    HG3  GLN 111           2HG      GLN 111  10.931  -2.484 -13.340
  870   HE21  GLN 111          2HE2      GLN 111   8.125  -1.463 -11.744
  871   HE22  GLN 111          1HE2      GLN 111   8.153   0.192 -12.338
  872    H    GLY 112           H        GLY 112   7.233  -5.863 -15.109
  873    HA2  GLY 112           1HA      GLY 112   7.863  -6.224 -17.956
  874    HA3  GLY 112           2HA      GLY 112   7.319  -7.457 -16.795
  875    H    SER 113           H        SER 113   4.909  -6.230 -15.944
  876    HA   SER 113           HA       SER 113   3.149  -5.571 -18.130
  877    HB2  SER 113           1HB      SER 113   3.596  -8.024 -18.591
  878    HB3  SER 113           2HB      SER 113   2.869  -8.390 -17.019
  879    HG   SER 113           HG       SER 113   1.369  -8.522 -18.797
  880    H    LEU 114           H        LEU 114   0.996  -5.136 -17.417
  881    HA   LEU 114           HA       LEU 114   0.503  -5.171 -14.478
  882    HB2  LEU 114           1HB      LEU 114  -0.256  -3.122 -16.605
  883    HB3  LEU 114           2HB      LEU 114  -0.816  -3.086 -14.941
  884    HG   LEU 114           HG       LEU 114   2.119  -2.873 -15.748
  885   HD11  LEU 114          1HD1      LEU 114   0.770  -0.996 -16.581
  886   HD12  LEU 114          2HD1      LEU 114   0.144  -0.704 -14.939
  887   HD13  LEU 114          3HD1      LEU 114   1.875  -0.488 -15.293
  888   HD21  LEU 114          3HD2      LEU 114   2.360  -1.988 -13.404
  889   HD22  LEU 114          1HD2      LEU 114   0.683  -2.478 -13.083
  890   HD23  LEU 114          2HD2      LEU 114   1.917  -3.699 -13.463
  891    HA   PRO 115           HA       PRO 115  -3.192  -7.429 -15.538
  892    HB2  PRO 115           1HB      PRO 115  -4.777  -7.013 -13.373
  893    HB3  PRO 115           2HB      PRO 115  -3.238  -7.926 -13.262
  894    HG2  PRO 115           1HG      PRO 115  -3.711  -4.989 -12.632
  895    HG3  PRO 115           2HG      PRO 115  -2.907  -6.224 -11.604
  896    HD2  PRO 115           1HD      PRO 115  -1.486  -4.541 -13.208
  897    HD3  PRO 115           2HD      PRO 115  -0.991  -6.250 -12.973
  898    H    ASP 116           H        ASP 116  -5.546  -7.201 -15.895
  899    HA   ASP 116           HA       ASP 116  -6.287  -4.644 -17.099
  900    HB2  ASP 116           1HB      ASP 116  -6.932  -6.688 -18.221
  901    HB3  ASP 116           2HB      ASP 116  -7.752  -7.286 -16.773
  902    H    ILE 117           H        ILE 117  -7.797  -3.262 -16.481
  903    HA   ILE 117           HA       ILE 117  -9.386  -3.671 -13.977
  904    HB   ILE 117           HB       ILE 117  -9.186  -1.296 -13.462
  905   HG12  ILE 117          1HG1      ILE 117  -7.107  -1.139 -15.701
  906   HG13  ILE 117          2HG1      ILE 117  -8.755  -0.536 -15.833
  907   HG21  ILE 117          1HG2      ILE 117  -7.638  -2.960 -12.432
  908   HG22  ILE 117          2HG2      ILE 117  -6.429  -2.586 -13.666
  909   HG23  ILE 117          3HG2      ILE 117  -6.945  -1.337 -12.513
  910   HD11  ILE 117          3HD1      ILE 117  -7.303   1.292 -15.357
  911   HD12  ILE 117          1HD1      ILE 117  -8.359   1.012 -13.954
  912   HD13  ILE 117          2HD1      ILE 117  -6.658   0.474 -13.920
  913    H    SER 118           H        SER 118  -9.576  -3.219 -17.307
  914    HA   SER 118           HA       SER 118 -11.751  -1.302 -17.410
  915    HB2  SER 118           1HB      SER 118 -11.947  -1.885 -19.731
  916    HB3  SER 118           2HB      SER 118 -10.243  -1.692 -19.312
  917    HG   SER 118           HG       SER 118 -10.050  -3.980 -19.250
  918    H    SER 119           H        SER 119 -11.686  -4.665 -16.618
  919    HA   SER 119           HA       SER 119 -14.576  -5.083 -16.951
  920    HB2  SER 119           1HB      SER 119 -12.482  -6.735 -15.486
  921    HB3  SER 119           2HB      SER 119 -14.121  -7.233 -15.916
  922    HG   SER 119           HG       SER 119 -11.896  -6.774 -17.624
  923    H    CYS 120           H        CYS 120 -12.847  -3.250 -14.702
  924    HA   CYS 120           HA       CYS 120 -14.487  -4.044 -12.350
  925    HB2  CYS 120           1HB      CYS 120 -11.970  -2.372 -12.524
  926    HB3  CYS 120           2HB      CYS 120 -12.748  -2.949 -11.057
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  -8.362  -8.649  10.478
    2    H2   GLY   1           2H       GLY   1  -6.905  -9.108   9.863
    3    H3   GLY   1           3H       GLY   1  -7.056  -7.651  10.601
    4    HA2  GLY   1           1HA      GLY   1  -8.468  -6.811   8.887
    5    HA3  GLY   1           2HA      GLY   1  -6.934  -7.412   8.228
    6    H    LYS   2           H        LYS   2  -7.892  -7.673   6.195
    7    HA   LYS   2           HA       LYS   2  -9.184 -10.238   5.706
    8    HB2  LYS   2           1HB      LYS   2 -11.165  -9.391   4.655
    9    HB3  LYS   2           2HB      LYS   2 -11.094  -8.722   6.285
   10    HG2  LYS   2           1HG      LYS   2 -10.230  -6.574   5.382
   11    HG3  LYS   2           2HG      LYS   2 -10.290  -7.228   3.743
   12    HD2  LYS   2           1HD      LYS   2 -12.719  -6.909   5.546
   13    HD3  LYS   2           2HD      LYS   2 -12.202  -5.747   4.314
   14    HE2  LYS   2           1HE      LYS   2 -12.404  -7.500   2.560
   15    HE3  LYS   2           2HE      LYS   2 -12.994  -8.643   3.776
   16    HZ1  LYS   2           3HZ      LYS   2 -14.825  -7.594   2.590
   17    HZ2  LYS   2           1HZ      LYS   2 -14.881  -7.156   4.163
   18    HZ3  LYS   2           2HZ      LYS   2 -14.337  -6.100   3.038
   19    H    THR   3           H        THR   3  -9.440 -10.695   3.398
   20    HA   THR   3           HA       THR   3  -7.369  -9.356   1.721
   21    HB   THR   3           HB       THR   3  -8.567 -12.070   1.146
   22    HG1  THR   3           1HG      THR   3  -6.552 -11.358   2.993
   23   HG21  THR   3          3HG2      THR   3  -6.329 -12.374   0.056
   24   HG22  THR   3          1HG2      THR   3  -7.266 -11.054  -0.659
   25   HG23  THR   3          2HG2      THR   3  -5.935 -10.686   0.454
   26    H    PHE   4           H        PHE   4  -7.856  -8.411  -0.097
   27    HA   PHE   4           HA       PHE   4 -10.690  -8.190  -0.976
   28    HB2  PHE   4           1HB      PHE   4  -8.207  -6.503  -1.466
   29    HB3  PHE   4           2HB      PHE   4  -9.718  -6.205  -2.275
   30    HD1  PHE   4           1HD      PHE   4  -8.212  -6.431   1.180
   31    HD2  PHE   4           2HD      PHE   4 -11.344  -4.769  -1.290
   32    HE1  PHE   4           1HE      PHE   4  -9.040  -5.115   3.102
   33    HE2  PHE   4           2HE      PHE   4 -12.169  -3.477   0.645
   34    HZ   PHE   4           HZ       PHE   4 -11.035  -3.654   2.850
   35    H    THR   5           H        THR   5 -11.151  -8.209  -3.211
   36    HA   THR   5           HA       THR   5  -9.402  -9.915  -4.947
   37    HB   THR   5           HB       THR   5 -11.705 -10.740  -4.635
   38    HG1  THR   5           1HG      THR   5 -11.920 -11.092  -6.842
   39   HG21  THR   5          3HG2      THR   5 -13.588  -9.659  -5.702
   40   HG22  THR   5          1HG2      THR   5 -12.912  -8.515  -4.536
   41   HG23  THR   5          2HG2      THR   5 -12.582  -8.320  -6.276
   42    H    ARG   6           H        ARG   6  -9.179  -9.120  -7.243
   43    HA   ARG   6           HA       ARG   6  -8.057  -6.526  -7.192
   44    HB2  ARG   6           1HB      ARG   6  -7.478  -8.351  -8.787
   45    HB3  ARG   6           2HB      ARG   6  -8.965  -8.018  -9.684
   46    HG2  ARG   6           1HG      ARG   6  -8.197  -5.698 -10.116
   47    HG3  ARG   6           2HG      ARG   6  -6.741  -5.977  -9.151
   48    HD2  ARG   6           1HD      ARG   6  -7.485  -7.468 -11.698
   49    HD3  ARG   6           2HD      ARG   6  -6.359  -6.108 -11.603
   50    HE   ARG   6           HE       ARG   6  -5.142  -7.668  -9.849
   51   HH11  ARG   6          1HH1      ARG   6  -6.667  -8.919 -12.805
   52   HH12  ARG   6          2HH1      ARG   6  -5.530 -10.228 -12.916
   53   HH21  ARG   6          1HH2      ARG   6  -3.641  -9.199 -10.165
   54   HH22  ARG   6          2HH2      ARG   6  -3.842 -10.413 -11.413
   55    H    CYS   7           H        CYS   7 -11.248  -7.507  -8.537
   56    HA   CYS   7           HA       CYS   7 -12.076  -4.912  -9.387
   57    HB2  CYS   7           1HB      CYS   7 -13.800  -7.206  -8.378
   58    HB3  CYS   7           2HB      CYS   7 -14.339  -5.846  -9.360
   59    H    GLY   8           H        GLY   8 -12.273  -6.405  -6.173
   60    HA2  GLY   8           1HA      GLY   8 -13.860  -4.291  -4.946
   61    HA3  GLY   8           2HA      GLY   8 -12.920  -5.557  -4.112
   62    H    LEU   9           H        LEU   9 -10.340  -5.070  -5.040
   63    HA   LEU   9           HA       LEU   9  -9.450  -2.829  -3.537
   64    HB2  LEU   9           1HB      LEU   9  -8.165  -4.917  -4.002
   65    HB3  LEU   9           2HB      LEU   9  -8.061  -4.480  -5.708
   66    HG   LEU   9           HG       LEU   9  -6.805  -2.433  -5.105
   67   HD11  LEU   9          1HD1      LEU   9  -7.605  -1.965  -2.867
   68   HD12  LEU   9          2HD1      LEU   9  -7.026  -3.534  -2.280
   69   HD13  LEU   9          3HD1      LEU   9  -5.867  -2.265  -2.767
   70   HD21  LEU   9          3HD2      LEU   9  -4.715  -3.521  -4.625
   71   HD22  LEU   9          1HD2      LEU   9  -5.543  -4.915  -3.894
   72   HD23  LEU   9          2HD2      LEU   9  -5.666  -4.610  -5.643
   73    H    VAL  10           H        VAL  10  -9.711  -3.192  -7.124
   74    HA   VAL  10           HA       VAL  10  -8.886  -0.608  -7.880
   75    HB   VAL  10           HB       VAL  10 -11.048  -2.403  -9.045
   76   HG11  VAL  10          1HG1      VAL  10 -11.745  -0.249  -9.808
   77   HG12  VAL  10          2HG1      VAL  10 -10.085   0.284 -10.085
   78   HG13  VAL  10          3HG1      VAL  10 -10.816  -0.938 -11.138
   79   HG21  VAL  10          3HG2      VAL  10  -9.418  -2.817 -10.815
   80   HG22  VAL  10          1HG2      VAL  10  -8.278  -1.668 -10.086
   81   HG23  VAL  10          2HG2      VAL  10  -8.678  -3.177  -9.256
   82    H    HIS  11           H        HIS  11 -12.132  -1.627  -6.784
   83    HA   HIS  11           HA       HIS  11 -13.355   0.991  -6.952
   84    HB2  HIS  11           1HB      HIS  11 -14.105  -1.548  -5.460
   85    HB3  HIS  11           2HB      HIS  11 -15.086  -0.096  -5.458
   86    HD2  HIS  11           2HD      HIS  11 -13.729  -0.426  -8.916
   87    HE1  HIS  11           1HE      HIS  11 -17.487  -2.423  -8.999
   88    HE2  HIS  11           2HE      HIS  11 -15.636  -1.448 -10.434
   89    H    GLU  12           H        GLU  12 -11.949  -0.797  -4.180
   90    HA   GLU  12           HA       GLU  12 -12.583   1.093  -2.167
   91    HB2  GLU  12           1HB      GLU  12 -11.574  -1.391  -2.150
   92    HB3  GLU  12           2HB      GLU  12 -10.046  -0.545  -2.052
   93    HG2  GLU  12           1HG      GLU  12 -10.863  -1.188   0.143
   94    HG3  GLU  12           2HG      GLU  12 -10.839   0.579   0.009
   95    H    LEU  13           H        LEU  13  -9.676   0.841  -4.245
   96    HA   LEU  13           HA       LEU  13  -8.356   3.171  -3.138
   97    HB2  LEU  13           1HB      LEU  13  -8.068   1.741  -5.794
   98    HB3  LEU  13           2HB      LEU  13  -6.910   2.902  -5.153
   99    HG   LEU  13           HG       LEU  13  -7.593   0.263  -3.848
  100   HD11  LEU  13          1HD1      LEU  13  -6.458  -0.036  -5.989
  101   HD12  LEU  13          2HD1      LEU  13  -5.200   1.134  -5.510
  102   HD13  LEU  13          3HD1      LEU  13  -5.344  -0.424  -4.659
  103   HD21  LEU  13          3HD2      LEU  13  -5.621   0.634  -2.462
  104   HD22  LEU  13          1HD2      LEU  13  -5.392   2.248  -3.197
  105   HD23  LEU  13          2HD2      LEU  13  -6.820   1.903  -2.195
  106    H    ARG  14           H        ARG  14 -10.449   2.713  -6.001
  107    HA   ARG  14           HA       ARG  14 -10.377   5.398  -6.973
  108    HB2  ARG  14           1HB      ARG  14 -12.527   3.269  -7.046
  109    HB3  ARG  14           2HB      ARG  14 -12.824   4.879  -7.694
  110    HG2  ARG  14           1HG      ARG  14 -11.112   4.684  -9.345
  111    HG3  ARG  14           2HG      ARG  14 -10.482   3.193  -8.623
  112    HD2  ARG  14           1HD      ARG  14 -12.535   2.001  -9.115
  113    HD3  ARG  14           2HD      ARG  14 -13.290   3.480  -9.758
  114    HE   ARG  14           HE       ARG  14 -10.920   3.015 -11.214
  115   HH11  ARG  14          1HH1      ARG  14 -14.112   1.512 -10.835
  116   HH12  ARG  14          2HH1      ARG  14 -13.965   0.630 -12.343
  117   HH21  ARG  14          1HH2      ARG  14 -10.890   1.876 -13.221
  118   HH22  ARG  14          2HH2      ARG  14 -12.249   0.858 -13.628
  119    H    LYS  15           H        LYS  15 -12.434   4.012  -4.365
  120    HA   LYS  15           HA       LYS  15 -13.737   6.544  -3.742
  121    HB2  LYS  15           1HB      LYS  15 -13.440   3.922  -2.220
  122    HB3  LYS  15           2HB      LYS  15 -14.402   5.274  -1.643
  123    HG2  LYS  15           1HG      LYS  15 -14.915   3.825  -4.280
  124    HG3  LYS  15           2HG      LYS  15 -15.718   3.469  -2.750
  125    HD2  LYS  15           1HD      LYS  15 -16.604   5.806  -2.685
  126    HD3  LYS  15           2HD      LYS  15 -15.867   6.108  -4.275
  127    HE2  LYS  15           1HE      LYS  15 -17.190   4.249  -5.249
  128    HE3  LYS  15           2HE      LYS  15 -17.922   3.935  -3.669
  129    HZ1  LYS  15           3HZ      LYS  15 -19.364   5.302  -5.053
  130    HZ2  LYS  15           1HZ      LYS  15 -18.895   6.164  -3.748
  131    HZ3  LYS  15           2HZ      LYS  15 -18.221   6.457  -5.210
  132    H    HIS  16           H        HIS  16 -10.727   5.068  -2.679
  133    HA   HIS  16           HA       HIS  16 -10.325   7.057  -0.557
  134    HB2  HIS  16           1HB      HIS  16  -8.677   4.683  -1.507
  135    HB3  HIS  16           2HB      HIS  16  -8.248   5.730  -0.157
  136    HD2  HIS  16           2HD      HIS  16  -8.427   3.067   0.908
  137    HE1  HIS  16           1HE      HIS  16 -12.532   3.511   1.856
  138    HE2  HIS  16           2HE      HIS  16 -10.462   2.165   2.346
  139    H    GLY  17           H        GLY  17  -9.998   7.460  -3.768
  140    HA2  GLY  17           1HA      GLY  17  -9.314   9.514  -4.667
  141    HA3  GLY  17           2HA      GLY  17  -8.196   9.769  -3.309
  142    H    PHE  18           H        PHE  18  -8.075   6.737  -5.108
  143    HA   PHE  18           HA       PHE  18  -5.416   7.436  -6.204
  144    HB2  PHE  18           1HB      PHE  18  -7.002   4.880  -6.051
  145    HB3  PHE  18           2HB      PHE  18  -5.461   5.013  -6.870
  146    HD1  PHE  18           2HD      PHE  18  -6.947   5.784  -3.448
  147    HD2  PHE  18           1HD      PHE  18  -3.556   4.390  -5.702
  148    HE1  PHE  18           2HE      PHE  18  -5.726   5.418  -1.367
  149    HE2  PHE  18           1HE      PHE  18  -2.334   3.957  -3.588
  150    HZ   PHE  18           HZ       PHE  18  -3.412   4.469  -1.410
  151    H    GLU  19           H        GLU  19  -5.000   7.683  -8.375
  152    HA   GLU  19           HA       GLU  19  -7.202   8.499 -10.058
  153    HB2  GLU  19           1HB      GLU  19  -4.239   8.158 -10.633
  154    HB3  GLU  19           2HB      GLU  19  -5.390   8.893 -11.742
  155    HG2  GLU  19           1HG      GLU  19  -4.692   9.955  -8.974
  156    HG3  GLU  19           2HG      GLU  19  -4.042  10.544 -10.501
  157    H    GLU  20           H        GLU  20  -8.199   7.477 -11.728
  158    HA   GLU  20           HA       GLU  20  -8.086   4.687 -12.012
  159    HB2  GLU  20           1HB      GLU  20  -9.580   4.938 -13.886
  160    HB3  GLU  20           2HB      GLU  20 -10.038   6.019 -12.571
  161    HG2  GLU  20           1HG      GLU  20  -8.946   7.924 -13.791
  162    HG3  GLU  20           2HG      GLU  20  -8.556   6.826 -15.117
  163    H    ASN  21           H        ASN  21  -6.141   7.094 -13.732
  164    HA   ASN  21           HA       ASN  21  -5.179   5.175 -15.706
  165    HB2  ASN  21           1HB      ASN  21  -3.936   6.899 -16.623
  166    HB3  ASN  21           2HB      ASN  21  -5.406   7.682 -16.066
  167   HD21  ASN  21          2HD2      ASN  21  -5.212   9.278 -14.338
  168   HD22  ASN  21          1HD2      ASN  21  -3.639   9.806 -13.783
  169    H    LEU  22           H        LEU  22  -4.305   5.911 -12.437
  170    HA   LEU  22           HA       LEU  22  -1.645   4.565 -12.664
  171    HB2  LEU  22           1HB      LEU  22  -2.967   5.986 -10.320
  172    HB3  LEU  22           2HB      LEU  22  -1.327   5.350 -10.364
  173    HG   LEU  22           HG       LEU  22  -2.410   7.695 -11.966
  174   HD11  LEU  22          1HD1      LEU  22  -1.998   8.133  -9.564
  175   HD12  LEU  22          2HD1      LEU  22  -0.333   7.537  -9.740
  176   HD13  LEU  22          3HD1      LEU  22  -0.851   9.012 -10.589
  177   HD21  LEU  22          3HD2      LEU  22  -0.111   8.069 -12.758
  178   HD22  LEU  22          1HD2      LEU  22   0.420   6.555 -11.994
  179   HD23  LEU  22          2HD2      LEU  22  -0.735   6.529 -13.348
  180    H    MET  23           H        MET  23  -4.904   3.953 -11.709
  181    HA   MET  23           HA       MET  23  -4.829   2.195  -9.665
  182    HB2  MET  23           1HB      MET  23  -6.762   3.126 -11.059
  183    HB3  MET  23           2HB      MET  23  -6.557   1.765 -12.125
  184    HG2  MET  23           1HG      MET  23  -8.360   1.379 -10.475
  185    HG3  MET  23           2HG      MET  23  -7.063   0.212 -10.242
  186    HE1  MET  23           3HE      MET  23  -8.096   3.848  -7.629
  187    HE2  MET  23           1HE      MET  23  -6.823   4.083  -8.853
  188    HE3  MET  23           2HE      MET  23  -8.457   3.604  -9.344
  189    H    ARG  24           H        ARG  24  -4.242   1.130 -13.068
  190    HA   ARG  24           HA       ARG  24  -3.840  -1.610 -12.583
  191    HB2  ARG  24           1HB      ARG  24  -2.428   0.173 -14.620
  192    HB3  ARG  24           2HB      ARG  24  -2.486  -1.595 -14.645
  193    HG2  ARG  24           1HG      ARG  24  -4.984  -1.480 -14.799
  194    HG3  ARG  24           2HG      ARG  24  -4.863   0.286 -14.906
  195    HD2  ARG  24           1HD      ARG  24  -5.106  -0.520 -17.130
  196    HD3  ARG  24           2HD      ARG  24  -3.422   0.009 -16.951
  197    HE   ARG  24           HE       ARG  24  -3.743  -2.800 -16.334
  198   HH11  ARG  24          1HH1      ARG  24  -3.594  -0.666 -19.156
  199   HH12  ARG  24          2HH1      ARG  24  -3.034  -1.936 -20.200
  200   HH21  ARG  24          1HH2      ARG  24  -2.948  -4.382 -17.735
  201   HH22  ARG  24          2HH2      ARG  24  -2.704  -4.007 -19.409
  202    H    ASN  25           H        ASN  25  -1.392   1.022 -12.392
  203    HA   ASN  25           HA       ASN  25   0.821  -0.707 -11.640
  204    HB2  ASN  25           1HB      ASN  25   0.338   2.289 -11.406
  205    HB3  ASN  25           2HB      ASN  25   1.752   1.506 -10.719
  206   HD21  ASN  25          2HD2      ASN  25   0.327   2.654 -13.702
  207   HD22  ASN  25          1HD2      ASN  25   1.685   2.191 -14.707
  208    H    TRP  26           H        TRP  26  -1.551   1.256  -9.748
  209    HA   TRP  26           HA       TRP  26  -0.407   0.662  -7.213
  210    HB2  TRP  26           1HB      TRP  26  -3.131   1.626  -8.116
  211    HB3  TRP  26           2HB      TRP  26  -2.801   1.274  -6.430
  212    HD1  TRP  26           HD       TRP  26  -2.729   4.094  -8.687
  213    HE1  TRP  26           1HE      TRP  26  -1.481   6.074  -7.646
  214    HE3  TRP  26           3HE      TRP  26  -0.203   1.605  -4.993
  215    HZ2  TRP  26           2HZ      TRP  26   0.187   6.560  -5.320
  216    HZ3  TRP  26           3HZ      TRP  26   1.197   2.849  -3.373
  217    HH2  TRP  26           HH       TRP  26   1.380   5.324  -3.508
  218    H    VAL  27           H        VAL  27  -3.217  -0.987  -8.830
  219    HA   VAL  27           HA       VAL  27  -3.472  -2.842  -6.653
  220    HB   VAL  27           HB       VAL  27  -4.875  -4.239  -7.936
  221   HG11  VAL  27          1HG1      VAL  27  -5.717  -2.044  -7.118
  222   HG12  VAL  27          2HG1      VAL  27  -5.488  -1.381  -8.748
  223   HG13  VAL  27          3HG1      VAL  27  -6.619  -2.720  -8.480
  224   HG21  VAL  27          3HG2      VAL  27  -5.363  -3.868 -10.347
  225   HG22  VAL  27          1HG2      VAL  27  -3.976  -2.760 -10.431
  226   HG23  VAL  27          2HG2      VAL  27  -3.733  -4.477 -10.036
  227    H    CYS  28           H        CYS  28  -1.459  -3.019  -9.608
  228    HA   CYS  28           HA       CYS  28  -0.629  -5.743  -9.134
  229    HB2  CYS  28           1HB      CYS  28  -0.615  -4.399 -11.268
  230    HB3  CYS  28           2HB      CYS  28   0.846  -3.606 -10.705
  231    H    LEU  29           H        LEU  29   0.852  -2.592  -8.277
  232    HA   LEU  29           HA       LEU  29   3.108  -3.533  -6.827
  233    HB2  LEU  29           1HB      LEU  29   2.703  -1.242  -7.552
  234    HB3  LEU  29           2HB      LEU  29   1.327  -1.072  -6.481
  235    HG   LEU  29           HG       LEU  29   4.178  -1.509  -5.494
  236   HD11  LEU  29          1HD1      LEU  29   3.938   0.580  -6.855
  237   HD12  LEU  29          2HD1      LEU  29   2.591   1.083  -5.809
  238   HD13  LEU  29          3HD1      LEU  29   4.231   0.924  -5.152
  239   HD21  LEU  29          3HD2      LEU  29   3.237  -0.405  -3.410
  240   HD22  LEU  29          1HD2      LEU  29   1.615  -0.606  -4.099
  241   HD23  LEU  29          2HD2      LEU  29   2.624  -2.020  -3.710
  242    H    VAL  30           H        VAL  30  -0.190  -2.761  -5.589
  243    HA   VAL  30           HA       VAL  30   0.248  -3.684  -2.948
  244    HB   VAL  30           HB       VAL  30  -2.252  -3.415  -4.629
  245   HG11  VAL  30          1HG1      VAL  30  -2.853  -5.177  -3.078
  246   HG12  VAL  30          2HG1      VAL  30  -2.123  -4.290  -1.724
  247   HG13  VAL  30          3HG1      VAL  30  -3.584  -3.673  -2.537
  248   HG21  VAL  30          3HG2      VAL  30  -2.672  -1.492  -3.176
  249   HG22  VAL  30          1HG2      VAL  30  -1.259  -1.896  -2.174
  250   HG23  VAL  30          2HG2      VAL  30  -1.037  -1.355  -3.845
  251    H    GLU  31           H        GLU  31  -0.898  -5.572  -5.799
  252    HA   GLU  31           HA       GLU  31  -1.254  -8.030  -4.389
  253    HB2  GLU  31           1HB      GLU  31  -0.674  -7.370  -7.293
  254    HB3  GLU  31           2HB      GLU  31  -0.827  -9.042  -6.726
  255    HG2  GLU  31           1HG      GLU  31  -3.061  -8.739  -6.005
  256    HG3  GLU  31           2HG      GLU  31  -3.004  -6.987  -6.200
  257    H    HIS  32           H        HIS  32   1.690  -6.711  -5.959
  258    HA   HIS  32           HA       HIS  32   3.243  -9.067  -5.233
  259    HB2  HIS  32           1HB      HIS  32   3.829  -6.407  -6.504
  260    HB3  HIS  32           2HB      HIS  32   5.116  -7.564  -6.108
  261    HD2  HIS  32           2HD      HIS  32   3.161  -6.657  -8.984
  262    HE1  HIS  32           1HE      HIS  32   3.650 -10.848  -9.517
  263    HE2  HIS  32           2HE      HIS  32   2.945  -8.677 -10.654
  264    H    GLU  33           H        GLU  33   2.540  -6.088  -3.553
  265    HA   GLU  33           HA       GLU  33   4.741  -6.467  -1.610
  266    HB2  GLU  33           1HB      GLU  33   2.489  -4.440  -1.821
  267    HB3  GLU  33           2HB      GLU  33   3.593  -4.511  -0.454
  268    HG2  GLU  33           1HG      GLU  33   4.407  -4.039  -3.350
  269    HG3  GLU  33           2HG      GLU  33   4.266  -2.815  -2.094
  270    H    SER  34           H        SER  34   1.100  -6.435  -1.352
  271    HA   SER  34           HA       SER  34   1.394  -8.038   1.163
  272    HB2  SER  34           1HB      SER  34  -0.724  -5.950   0.622
  273    HB3  SER  34           2HB      SER  34  -0.348  -6.761   2.151
  274    HG   SER  34           HG       SER  34   1.081  -4.763   0.775
  275    H    SER  35           H        SER  35   0.394  -8.521  -1.892
  276    HA   SER  35           HA       SER  35  -1.067  -9.882  -2.939
  277    HB2  SER  35           1HB      SER  35  -1.587 -11.276  -0.318
  278    HB3  SER  35           2HB      SER  35  -1.661 -11.935  -1.956
  279    HG   SER  35           HG       SER  35   0.651 -11.668  -2.071
  280    H    ARG  36           H        ARG  36  -2.203  -7.467  -1.598
  281    HA   ARG  36           HA       ARG  36  -4.158  -6.406  -1.341
  282    HB2  ARG  36           1HB      ARG  36  -5.774  -8.787  -2.276
  283    HB3  ARG  36           2HB      ARG  36  -6.144  -7.068  -2.394
  284    HG2  ARG  36           1HG      ARG  36  -4.159  -6.894  -4.012
  285    HG3  ARG  36           2HG      ARG  36  -4.126  -8.648  -4.026
  286    HD2  ARG  36           1HD      ARG  36  -6.613  -7.047  -4.740
  287    HD3  ARG  36           2HD      ARG  36  -5.440  -7.610  -5.922
  288    HE   ARG  36           HE       ARG  36  -7.036  -9.375  -4.098
  289   HH11  ARG  36          1HH1      ARG  36  -5.494  -9.024  -7.313
  290   HH12  ARG  36          2HH1      ARG  36  -5.925 -10.655  -7.736
  291   HH21  ARG  36          1HH2      ARG  36  -7.472 -11.429  -4.734
  292   HH22  ARG  36          2HH2      ARG  36  -7.062 -11.972  -6.332
  293    H    ASP  37           H        ASP  37  -3.054  -8.073   0.835
  294    HA   ASP  37           HA       ASP  37  -5.492  -8.692   2.455
  295    HB2  ASP  37           1HB      ASP  37  -4.102 -10.676   1.851
  296    HB3  ASP  37           2HB      ASP  37  -2.708  -9.911   2.593
  297    H    THR  38           H        THR  38  -5.855  -7.272   4.058
  298    HA   THR  38           HA       THR  38  -3.853  -5.309   4.813
  299    HB   THR  38           HB       THR  38  -5.384  -4.603   6.606
  300    HG1  THR  38           1HG      THR  38  -7.351  -5.515   6.772
  301   HG21  THR  38          3HG2      THR  38  -7.230  -3.819   5.195
  302   HG22  THR  38          1HG2      THR  38  -5.671  -3.635   4.383
  303   HG23  THR  38          2HG2      THR  38  -6.769  -4.968   3.925
  304    H    SER  39           H        SER  39  -4.692  -8.461   6.098
  305    HA   SER  39           HA       SER  39  -3.418  -8.134   8.664
  306    HB2  SER  39           1HB      SER  39  -4.116 -10.639   7.094
  307    HB3  SER  39           2HB      SER  39  -3.696 -10.570   8.807
  308    HG   SER  39           HG       SER  39  -5.990 -10.650   8.302
  309    H    LYS  40           H        LYS  40  -1.914  -8.298   5.621
  310    HA   LYS  40           HA       LYS  40   0.170 -10.187   6.190
  311    HB2  LYS  40           1HB      LYS  40  -0.655  -9.448   3.904
  312    HB3  LYS  40           2HB      LYS  40   0.168  -7.919   4.174
  313    HG2  LYS  40           1HG      LYS  40   1.849  -9.002   3.034
  314    HG3  LYS  40           2HG      LYS  40   2.301  -9.488   4.632
  315    HD2  LYS  40           1HD      LYS  40   2.421 -11.452   3.353
  316    HD3  LYS  40           2HD      LYS  40   0.896 -11.632   4.241
  317    HE2  LYS  40           1HE      LYS  40  -0.360 -10.824   2.264
  318    HE3  LYS  40           2HE      LYS  40   1.154 -10.497   1.418
  319    HZ1  LYS  40           3HZ      LYS  40   0.326 -12.539   0.632
  320    HZ2  LYS  40           1HZ      LYS  40   1.628 -12.910   1.538
  321    HZ3  LYS  40           2HZ      LYS  40   0.124 -13.175   2.140
  322    H    THR  41           H        THR  41   2.156  -9.995   6.952
  323    HA   THR  41           HA       THR  41   3.455  -7.430   7.577
  324    HB   THR  41           HB       THR  41   4.172  -8.448   9.856
  325    HG1  THR  41           1HG      THR  41   3.202 -10.484   9.518
  326   HG21  THR  41          3HG2      THR  41   2.228  -7.556  11.072
  327   HG22  THR  41          1HG2      THR  41   2.856  -6.458   9.851
  328   HG23  THR  41          2HG2      THR  41   1.356  -7.372   9.530
  329    H    ASN  42           H        ASN  42   5.638  -7.493   7.735
  330    HA   ASN  42           HA       ASN  42   7.096 -10.046   7.356
  331    HB2  ASN  42           1HB      ASN  42   6.991  -7.756   5.344
  332    HB3  ASN  42           2HB      ASN  42   8.320  -8.902   5.398
  333   HD21  ASN  42          2HD2      ASN  42   5.041  -8.414   4.344
  334   HD22  ASN  42          1HD2      ASN  42   4.879  -9.992   3.573
  335    H    THR  43           H        THR  43   8.962 -10.037   8.496
  336    HA   THR  43           HA       THR  43   9.961  -7.552   9.755
  337    HB   THR  43           HB       THR  43  10.987 -10.396  10.052
  338    HG1  THR  43           1HG      THR  43   9.546 -10.621  11.629
  339   HG21  THR  43          3HG2      THR  43  11.739  -9.521  12.286
  340   HG22  THR  43          1HG2      THR  43  12.561  -8.727  10.941
  341   HG23  THR  43          2HG2      THR  43  11.243  -7.888  11.790
  342    H    ASN  44           H        ASN  44  11.908  -6.622   9.382
  343    HA   ASN  44           HA       ASN  44  13.337  -7.357   6.872
  344    HB2  ASN  44           1HB      ASN  44  13.312  -4.775   8.494
  345    HB3  ASN  44           2HB      ASN  44  14.173  -5.030   6.980
  346   HD21  ASN  44          2HD2      ASN  44  11.003  -4.669   8.445
  347   HD22  ASN  44          1HD2      ASN  44  10.159  -4.252   6.937
  348    H    ARG  45           H        ARG  45  15.616  -7.233   6.780
  349    HA   ARG  45           HA       ARG  45  17.159  -8.404   8.850
  350    HB2  ARG  45           1HB      ARG  45  19.096  -7.784   7.518
  351    HB3  ARG  45           2HB      ARG  45  17.804  -8.467   6.522
  352    HG2  ARG  45           1HG      ARG  45  17.202  -6.145   5.777
  353    HG3  ARG  45           2HG      ARG  45  18.558  -5.516   6.733
  354    HD2  ARG  45           1HD      ARG  45  20.131  -6.910   5.385
  355    HD3  ARG  45           2HD      ARG  45  18.769  -7.505   4.437
  356    HE   ARG  45           HE       ARG  45  18.607  -5.489   3.310
  357   HH11  ARG  45          1HH1      ARG  45  20.972  -5.047   5.911
  358   HH12  ARG  45          2HH1      ARG  45  21.518  -3.526   5.271
  359   HH21  ARG  45          1HH2      ARG  45  19.360  -3.529   2.548
  360   HH22  ARG  45          2HH2      ARG  45  20.616  -2.682   3.397
  361    H    ASN  46           H        ASN  46  16.526  -5.062   8.178
  362    HA   ASN  46           HA       ASN  46  18.349  -3.882  10.059
  363    HB2  ASN  46           1HB      ASN  46  17.391  -2.856   7.968
  364    HB3  ASN  46           2HB      ASN  46  15.836  -2.710   8.790
  365   HD21  ASN  46          2HD2      ASN  46  19.338  -1.859   9.373
  366   HD22  ASN  46          1HD2      ASN  46  18.966  -0.260   9.988
  367    H    GLY  47           H        GLY  47  15.587  -5.675  10.783
  368    HA2  GLY  47           1HA      GLY  47  14.867  -6.232  12.905
  369    HA3  GLY  47           2HA      GLY  47  15.632  -4.778  13.583
  370    H    SER  48           H        SER  48  13.795  -3.661  11.065
  371    HA   SER  48           HA       SER  48  11.430  -2.994  12.729
  372    HB2  SER  48           1HB      SER  48  10.963  -1.469  10.798
  373    HB3  SER  48           2HB      SER  48  12.485  -1.149  11.634
  374    HG   SER  48           HG       SER  48  12.953  -1.128   9.457
  375    H    LYS  49           H        LYS  49   9.284  -3.122  11.657
  376    HA   LYS  49           HA       LYS  49   9.024  -5.471   9.825
  377    HB2  LYS  49           1HB      LYS  49   8.426  -5.835  12.334
  378    HB3  LYS  49           2HB      LYS  49   6.994  -4.866  11.973
  379    HG2  LYS  49           1HG      LYS  49   6.465  -6.515  10.107
  380    HG3  LYS  49           2HG      LYS  49   7.771  -7.521  10.734
  381    HD2  LYS  49           1HD      LYS  49   5.232  -6.663  12.172
  382    HD3  LYS  49           2HD      LYS  49   5.587  -8.276  11.569
  383    HE2  LYS  49           1HE      LYS  49   7.184  -6.878  13.754
  384    HE3  LYS  49           2HE      LYS  49   5.833  -7.966  14.065
  385    HZ1  LYS  49           3HZ      LYS  49   7.992  -9.104  14.176
  386    HZ2  LYS  49           1HZ      LYS  49   7.040  -9.754  13.021
  387    HZ3  LYS  49           2HZ      LYS  49   8.282  -8.789  12.594
  388    H    ASP  50           H        ASP  50   7.392  -5.460   8.403
  389    HA   ASP  50           HA       ASP  50   6.258  -2.843   7.581
  390    HB2  ASP  50           1HB      ASP  50   6.510  -5.519   6.148
  391    HB3  ASP  50           2HB      ASP  50   5.861  -4.044   5.461
  392    H    TYR  51           H        TYR  51   4.051  -2.569   7.375
  393    HA   TYR  51           HA       TYR  51   2.177  -4.758   8.199
  394    HB2  TYR  51           1HB      TYR  51   2.347  -1.883   9.189
  395    HB3  TYR  51           2HB      TYR  51   1.078  -3.019   9.610
  396    HD1  TYR  51           2HD      TYR  51   4.670  -2.181  10.016
  397    HD2  TYR  51           1HD      TYR  51   1.389  -4.603  11.393
  398    HE1  TYR  51           2HE      TYR  51   5.957  -2.761  12.043
  399    HE2  TYR  51           1HE      TYR  51   2.665  -5.180  13.446
  400    HH   TYR  51           HH       TYR  51   4.615  -4.869  14.635
  401    H    GLY  52           H        GLY  52   0.065  -4.642   7.425
  402    HA2  GLY  52           1HA      GLY  52  -1.818  -3.812   6.349
  403    HA3  GLY  52           2HA      GLY  52  -1.015  -2.239   6.207
  404    H    LEU  53           H        LEU  53  -2.431  -2.568   4.201
  405    HA   LEU  53           HA       LEU  53  -1.713  -4.438   2.235
  406    HB2  LEU  53           1HB      LEU  53  -3.791  -2.590   2.685
  407    HB3  LEU  53           2HB      LEU  53  -2.959  -1.839   1.342
  408    HG   LEU  53           HG       LEU  53  -3.075  -4.332   0.313
  409   HD11  LEU  53          1HD1      LEU  53  -4.068  -5.242   2.385
  410   HD12  LEU  53          2HD1      LEU  53  -5.479  -4.184   2.165
  411   HD13  LEU  53          3HD1      LEU  53  -5.152  -5.446   0.986
  412   HD21  LEU  53          3HD2      LEU  53  -5.192  -3.759  -0.747
  413   HD22  LEU  53          1HD2      LEU  53  -5.453  -2.451   0.442
  414   HD23  LEU  53          2HD2      LEU  53  -4.101  -2.344  -0.706
  415    H    PHE  54           H        PHE  54  -0.052  -1.571   2.815
  416    HA   PHE  54           HA       PHE  54   1.359  -1.789   0.180
  417    HB2  PHE  54           1HB      PHE  54   1.068   0.604   2.021
  418    HB3  PHE  54           2HB      PHE  54   1.966   0.579   0.518
  419    HD1  PHE  54           2HD      PHE  54  -1.450   0.375   1.976
  420    HD2  PHE  54           1HD      PHE  54   0.868   0.831  -1.624
  421    HE1  PHE  54           2HE      PHE  54  -3.502   1.005   0.749
  422    HE2  PHE  54           1HE      PHE  54  -1.188   1.503  -2.842
  423    HZ   PHE  54           HZ       PHE  54  -3.373   1.588  -1.666
  424    H    GLN  55           H        GLN  55   1.742  -3.222   2.921
  425    HA   GLN  55           HA       GLN  55   3.342  -3.724   4.443
  426    HB2  GLN  55           1HB      GLN  55   4.804  -3.801   1.782
  427    HB3  GLN  55           2HB      GLN  55   5.614  -4.292   3.265
  428    HG2  GLN  55           1HG      GLN  55   3.342  -5.624   1.853
  429    HG3  GLN  55           2HG      GLN  55   4.903  -6.269   2.275
  430   HE21  GLN  55          2HE2      GLN  55   1.614  -5.680   3.465
  431   HE22  GLN  55          1HE2      GLN  55   1.872  -6.434   5.034
  432    H    ILE  56           H        ILE  56   2.938  -1.427   5.213
  433    HA   ILE  56           HA       ILE  56   5.079   0.514   4.710
  434    HB   ILE  56           HB       ILE  56   2.692   0.779   6.586
  435   HG12  ILE  56          1HG1      ILE  56   2.963   1.345   3.593
  436   HG13  ILE  56          2HG1      ILE  56   1.811   0.230   4.359
  437   HG21  ILE  56          1HG2      ILE  56   4.580   2.388   6.829
  438   HG22  ILE  56          2HG2      ILE  56   4.346   2.882   5.138
  439   HG23  ILE  56          3HG2      ILE  56   3.074   3.145   6.360
  440   HD11  ILE  56          3HD1      ILE  56   0.538   2.110   3.741
  441   HD12  ILE  56          1HD1      ILE  56   0.794   2.306   5.490
  442   HD13  ILE  56          2HD1      ILE  56   1.766   3.238   4.317
  443    H    ASN  57           H        ASN  57   6.729   1.025   6.046
  444    HA   ASN  57           HA       ASN  57   7.244  -0.875   8.199
  445    HB2  ASN  57           1HB      ASN  57   8.797  -0.433   6.317
  446    HB3  ASN  57           2HB      ASN  57   9.027   1.210   6.936
  447   HD21  ASN  57          2HD2      ASN  57   9.742  -2.195   7.411
  448   HD22  ASN  57          1HD2      ASN  57  10.969  -1.935   8.661
  449    H    ASP  58           H        ASP  58   7.551  -0.497  10.272
  450    HA   ASP  58           HA       ASP  58   6.392   1.722  11.541
  451    HB2  ASP  58           1HB      ASP  58   6.868   0.701  13.561
  452    HB3  ASP  58           2HB      ASP  58   6.579  -0.606  12.424
  453    H    ARG  59           H        ARG  59   9.592   1.624  10.363
  454    HA   ARG  59           HA       ARG  59  10.666   3.511  12.366
  455    HB2  ARG  59           1HB      ARG  59  11.858   1.487  11.544
  456    HB3  ARG  59           2HB      ARG  59  11.994   2.228   9.950
  457    HG2  ARG  59           1HG      ARG  59  13.502   3.871  10.676
  458    HG3  ARG  59           2HG      ARG  59  13.048   3.707  12.376
  459    HD2  ARG  59           1HD      ARG  59  14.425   1.499  10.796
  460    HD3  ARG  59           2HD      ARG  59  15.303   2.719  11.734
  461    HE   ARG  59           HE       ARG  59  13.604   1.830  13.615
  462   HH11  ARG  59          1HH1      ARG  59  15.672  -0.085  11.458
  463   HH12  ARG  59          2HH1      ARG  59  15.835  -1.366  12.610
  464   HH21  ARG  59          1HH2      ARG  59  13.847   0.129  15.046
  465   HH22  ARG  59          2HH2      ARG  59  14.817  -1.246  14.610
  466    H    TYR  60           H        TYR  60   9.127   3.719   9.298
  467    HA   TYR  60           HA       TYR  60  10.352   6.415   8.753
  468    HB2  TYR  60           1HB      TYR  60   9.498   4.223   6.845
  469    HB3  TYR  60           2HB      TYR  60  10.143   5.780   6.368
  470    HD1  TYR  60           2HD      TYR  60  12.507   6.321   7.814
  471    HD2  TYR  60           1HD      TYR  60  10.988   2.439   6.715
  472    HE1  TYR  60           2HE      TYR  60  14.777   5.359   8.088
  473    HE2  TYR  60           1HE      TYR  60  13.257   1.466   7.003
  474    HH   TYR  60           HH       TYR  60  16.075   3.459   7.998
  475    H    TRP  61           H        TRP  61   7.241   4.694   8.741
  476    HA   TRP  61           HA       TRP  61   5.932   7.218   7.752
  477    HB2  TRP  61           1HB      TRP  61   5.286   4.426   6.833
  478    HB3  TRP  61           2HB      TRP  61   4.675   5.913   6.170
  479    HD1  TRP  61           HD       TRP  61   7.012   3.297   5.454
  480    HE1  TRP  61           1HE      TRP  61   8.737   3.947   3.669
  481    HE3  TRP  61           3HE      TRP  61   6.217   8.356   5.373
  482    HZ2  TRP  61           2HZ      TRP  61   9.560   6.343   2.279
  483    HZ3  TRP  61           3HZ      TRP  61   7.399   9.780   3.736
  484    HH2  TRP  61           HH       TRP  61   9.084   8.795   2.190
  485    H    CYS  62           H        CYS  62   5.075   3.946   9.008
  486    HA   CYS  62           HA       CYS  62   2.982   5.163  10.742
  487    HB2  CYS  62           1HB      CYS  62   2.330   2.742  11.092
  488    HB3  CYS  62           2HB      CYS  62   2.073   3.380   9.491
  489    H    SER  63           H        SER  63   2.807   4.137  12.954
  490    HA   SER  63           HA       SER  63   5.503   3.854  14.252
  491    HB2  SER  63           1HB      SER  63   4.153   5.945  14.745
  492    HB3  SER  63           2HB      SER  63   2.927   4.905  15.477
  493    HG   SER  63           HG       SER  63   4.381   5.621  17.072
  494    H    LYS  64           H        LYS  64   5.880   2.111  15.505
  495    HA   LYS  64           HA       LYS  64   3.872  -0.029  15.718
  496    HB2  LYS  64           1HB      LYS  64   5.736  -1.307  16.735
  497    HB3  LYS  64           2HB      LYS  64   6.097  -0.708  15.130
  498    HG2  LYS  64           1HG      LYS  64   7.592   0.957  15.937
  499    HG3  LYS  64           2HG      LYS  64   6.934   0.905  17.577
  500    HD2  LYS  64           1HD      LYS  64   7.864  -1.248  18.013
  501    HD3  LYS  64           2HD      LYS  64   8.410  -1.429  16.320
  502    HE2  LYS  64           1HE      LYS  64   9.871   0.545  16.577
  503    HE3  LYS  64           2HE      LYS  64   9.324   0.753  18.247
  504    HZ1  LYS  64           3HZ      LYS  64  11.442  -0.424  18.159
  505    HZ2  LYS  64           1HZ      LYS  64  10.300  -1.422  18.765
  506    HZ3  LYS  64           2HZ      LYS  64  10.811  -1.605  17.221
  507    H    GLY  65           H        GLY  65   4.672   2.596  17.717
  508    HA2  GLY  65           1HA      GLY  65   4.486   1.280  20.317
  509    HA3  GLY  65           2HA      GLY  65   4.536   3.018  20.000
  510    H    ALA  66           H        ALA  66   2.913   2.832  21.866
  511    HA   ALA  66           HA       ALA  66   0.375   1.565  21.481
  512    HB1  ALA  66           1HB      ALA  66   1.440   1.963  23.679
  513    HB2  ALA  66           2HB      ALA  66   1.238   3.719  23.464
  514    HB3  ALA  66           3HB      ALA  66  -0.184   2.666  23.615
  515    H    SER  67           H        SER  67   1.398   4.310  19.915
  516    HA   SER  67           HA       SER  67  -1.267   5.384  19.347
  517    HB2  SER  67           1HB      SER  67  -0.637   7.647  20.111
  518    HB3  SER  67           2HB      SER  67  -0.683   6.480  21.440
  519    HG   SER  67           HG       SER  67   1.174   7.837  21.544
  520    HA   PRO  68           HA       PRO  68   0.861   6.271  15.514
  521    HB2  PRO  68           1HB      PRO  68  -0.536   8.414  14.503
  522    HB3  PRO  68           2HB      PRO  68  -1.234   6.767  14.610
  523    HG2  PRO  68           1HG      PRO  68  -1.589   9.058  16.560
  524    HG3  PRO  68           2HG      PRO  68  -2.854   8.021  15.822
  525    HD2  PRO  68           1HD      PRO  68  -1.869   7.512  18.294
  526    HD3  PRO  68           2HD      PRO  68  -2.263   6.175  17.174
  527    H    GLY  69           H        GLY  69   2.467   7.804  14.625
  528    HA2  GLY  69           1HA      GLY  69   3.048  10.374  15.633
  529    HA3  GLY  69           2HA      GLY  69   3.800   9.259  16.753
  530    H    LYS  70           H        LYS  70   3.612   8.827  13.227
  531    HA   LYS  70           HA       LYS  70   6.520   9.478  12.915
  532    HB2  LYS  70           1HB      LYS  70   5.034   7.018  11.983
  533    HB3  LYS  70           2HB      LYS  70   6.499   7.543  11.169
  534    HG2  LYS  70           1HG      LYS  70   6.769   7.414  14.141
  535    HG3  LYS  70           2HG      LYS  70   6.384   5.896  13.380
  536    HD2  LYS  70           1HD      LYS  70   8.750   6.071  13.602
  537    HD3  LYS  70           2HD      LYS  70   8.332   6.097  11.884
  538    HE2  LYS  70           1HE      LYS  70   8.693   8.511  11.774
  539    HE3  LYS  70           2HE      LYS  70   8.876   8.609  13.532
  540    HZ1  LYS  70           3HZ      LYS  70  11.021   8.608  12.350
  541    HZ2  LYS  70           1HZ      LYS  70  10.906   7.337  13.367
  542    HZ3  LYS  70           2HZ      LYS  70  10.736   7.105  11.759
  543    H    ASP  71           H        ASP  71   6.688   9.264  10.162
  544    HA   ASP  71           HA       ASP  71   5.964  11.883   9.522
  545    HB2  ASP  71           1HB      ASP  71   7.807  10.482   8.537
  546    HB3  ASP  71           2HB      ASP  71   6.595   9.681   7.533
  547    H    CYS  72           H        CYS  72   4.002   9.025   8.987
  548    HA   CYS  72           HA       CYS  72   2.001  10.596   7.405
  549    HB2  CYS  72           1HB      CYS  72   2.269   7.617   7.809
  550    HB3  CYS  72           2HB      CYS  72   1.122   8.442   6.758
  551    H    ASN  73           H        ASN  73   2.526  10.135  10.591
  552    HA   ASN  73           HA       ASN  73   1.298  10.137  12.465
  553    HB2  ASN  73           1HB      ASN  73   0.858  12.337  11.363
  554    HB3  ASN  73           2HB      ASN  73  -0.647  11.686  10.711
  555   HD21  ASN  73          2HD2      ASN  73  -1.870  13.316  11.882
  556   HD22  ASN  73          1HD2      ASN  73  -2.089  13.183  13.618
  557    H    VAL  74           H        VAL  74   1.084   7.714  11.604
  558    HA   VAL  74           HA       VAL  74  -1.622   6.783  12.288
  559    HB   VAL  74           HB       VAL  74  -1.598   7.157   9.827
  560   HG11  VAL  74          1HG1      VAL  74   0.795   6.629   9.374
  561   HG12  VAL  74          2HG1      VAL  74   0.459   4.916   9.705
  562   HG13  VAL  74          3HG1      VAL  74  -0.319   5.724   8.335
  563   HG21  VAL  74          3HG2      VAL  74  -2.596   5.058   9.209
  564   HG22  VAL  74          1HG2      VAL  74  -1.829   4.224  10.573
  565   HG23  VAL  74          2HG2      VAL  74  -3.069   5.464  10.865
  566    H    LYS  75           H        LYS  75  -1.680   4.637  12.998
  567    HA   LYS  75           HA       LYS  75   0.890   3.658  14.122
  568    HB2  LYS  75           1HB      LYS  75  -1.119   4.377  15.467
  569    HB3  LYS  75           2HB      LYS  75  -1.981   2.973  14.819
  570    HG2  LYS  75           1HG      LYS  75  -0.272   1.496  15.898
  571    HG3  LYS  75           2HG      LYS  75   0.530   2.955  16.544
  572    HD2  LYS  75           1HD      LYS  75  -1.232   3.432  18.012
  573    HD3  LYS  75           2HD      LYS  75  -2.435   2.594  17.045
  574    HE2  LYS  75           1HE      LYS  75  -1.492   0.406  17.712
  575    HE3  LYS  75           2HE      LYS  75  -0.300   1.225  18.718
  576    HZ1  LYS  75           3HZ      LYS  75  -2.229   0.522  20.015
  577    HZ2  LYS  75           1HZ      LYS  75  -2.142   2.156  20.031
  578    HZ3  LYS  75           2HZ      LYS  75  -3.244   1.397  19.086
  579    H    CYS  76           H        CYS  76   1.741   1.685  13.583
  580    HA   CYS  76           HA       CYS  76   1.212   0.232  11.270
  581    HB2  CYS  76           1HB      CYS  76   2.333  -0.775  13.920
  582    HB3  CYS  76           2HB      CYS  76   2.526  -1.559  12.360
  583    H    SER  77           H        SER  77  -0.248  -0.375  14.491
  584    HA   SER  77           HA       SER  77  -1.538  -2.858  13.697
  585    HB2  SER  77           1HB      SER  77  -0.888  -2.160  16.039
  586    HB3  SER  77           2HB      SER  77  -2.272  -1.049  16.020
  587    HG   SER  77           HG       SER  77  -2.767  -3.119  16.960
  588    H    ASP  78           H        ASP  78  -2.517   0.559  13.488
  589    HA   ASP  78           HA       ASP  78  -5.318   0.007  12.917
  590    HB2  ASP  78           1HB      ASP  78  -3.560   2.383  13.131
  591    HB3  ASP  78           2HB      ASP  78  -4.699   2.490  11.804
  592    H    LEU  79           H        LEU  79  -2.470  -0.453  11.092
  593    HA   LEU  79           HA       LEU  79  -3.748  -0.087   8.462
  594    HB2  LEU  79           1HB      LEU  79  -1.096  -1.460   9.012
  595    HB3  LEU  79           2HB      LEU  79  -1.681  -0.723   7.527
  596    HG   LEU  79           HG       LEU  79  -0.736   0.721  10.022
  597   HD11  LEU  79          1HD1      LEU  79   1.032  -0.166   8.582
  598   HD12  LEU  79          2HD1      LEU  79   0.284   0.574   7.153
  599   HD13  LEU  79          3HD1      LEU  79   0.969   1.596   8.430
  600   HD21  LEU  79          3HD2      LEU  79  -1.069   2.820   8.702
  601   HD22  LEU  79          1HD2      LEU  79  -1.945   1.868   7.489
  602   HD23  LEU  79          2HD2      LEU  79  -2.592   2.033   9.137
  603    H    LEU  80           H        LEU  80  -3.780  -2.488  10.845
  604    HA   LEU  80           HA       LEU  80  -4.014  -4.764   8.972
  605    HB2  LEU  80           1HB      LEU  80  -3.976  -4.757  12.002
  606    HB3  LEU  80           2HB      LEU  80  -3.801  -6.152  10.947
  607    HG   LEU  80           HG       LEU  80  -1.806  -3.875  11.223
  608   HD11  LEU  80          1HD1      LEU  80  -1.947  -5.369  13.193
  609   HD12  LEU  80          2HD1      LEU  80  -1.695  -6.781  12.144
  610   HD13  LEU  80          3HD1      LEU  80  -0.409  -5.575  12.345
  611   HD21  LEU  80          3HD2      LEU  80  -0.277  -5.317   9.881
  612   HD22  LEU  80          1HD2      LEU  80  -1.632  -6.418   9.556
  613   HD23  LEU  80          2HD2      LEU  80  -1.665  -4.741   8.956
  614    H    THR  81           H        THR  81  -6.190  -2.550   9.856
  615    HA   THR  81           HA       THR  81  -8.377  -4.244  10.822
  616    HB   THR  81           HB       THR  81  -9.702  -2.131  10.700
  617    HG1  THR  81           1HG      THR  81  -8.330  -1.234   8.961
  618   HG21  THR  81          3HG2      THR  81  -8.568  -1.033  12.530
  619   HG22  THR  81          1HG2      THR  81  -8.378  -2.781  12.724
  620   HG23  THR  81          2HG2      THR  81  -7.022  -1.805  12.115
  621    H    ASP  82           H        ASP  82 -10.619  -3.565   9.650
  622    HA   ASP  82           HA       ASP  82 -10.531  -5.098   7.175
  623    HB2  ASP  82           1HB      ASP  82 -12.933  -5.163   7.433
  624    HB3  ASP  82           2HB      ASP  82 -12.153  -5.545   8.964
  625    H    ASP  83           H        ASP  83 -10.346  -1.807   7.766
  626    HA   ASP  83           HA       ASP  83 -11.115  -1.192   4.937
  627    HB2  ASP  83           1HB      ASP  83 -12.501   0.005   6.663
  628    HB3  ASP  83           2HB      ASP  83 -11.036   0.834   7.193
  629    H    ILE  84           H        ILE  84  -9.518  -0.715   3.677
  630    HA   ILE  84           HA       ILE  84  -6.762  -0.805   4.524
  631    HB   ILE  84           HB       ILE  84  -6.226  -0.691   2.205
  632   HG12  ILE  84          1HG1      ILE  84  -9.061   0.303   1.656
  633   HG13  ILE  84          2HG1      ILE  84  -7.597   1.284   1.630
  634   HG21  ILE  84          1HG2      ILE  84  -7.466  -2.764   3.005
  635   HG22  ILE  84          2HG2      ILE  84  -8.932  -2.103   2.275
  636   HG23  ILE  84          3HG2      ILE  84  -7.542  -2.505   1.264
  637   HD11  ILE  84          3HD1      ILE  84  -8.242   0.780  -0.606
  638   HD12  ILE  84          1HD1      ILE  84  -6.687  -0.010  -0.226
  639   HD13  ILE  84          2HD1      ILE  84  -8.197  -0.963  -0.299
  640    H    THR  85           H        THR  85  -8.938   1.823   4.435
  641    HA   THR  85           HA       THR  85  -7.539   3.891   3.270
  642    HB   THR  85           HB       THR  85  -9.870   3.976   3.923
  643    HG1  THR  85           1HG      THR  85  -9.807   6.171   4.374
  644   HG21  THR  85          3HG2      THR  85 -10.577   4.657   6.122
  645   HG22  THR  85          1HG2      THR  85  -9.661   3.153   6.274
  646   HG23  THR  85          2HG2      THR  85  -8.901   4.703   6.714
  647    H    LYS  86           H        LYS  86  -6.908   2.735   6.565
  648    HA   LYS  86           HA       LYS  86  -5.299   5.000   7.323
  649    HB2  LYS  86           1HB      LYS  86  -5.078   2.135   8.345
  650    HB3  LYS  86           2HB      LYS  86  -4.418   3.577   9.091
  651    HG2  LYS  86           1HG      LYS  86  -6.265   3.246  10.381
  652    HG3  LYS  86           2HG      LYS  86  -6.877   4.435   9.233
  653    HD2  LYS  86           1HD      LYS  86  -8.057   2.711   8.000
  654    HD3  LYS  86           2HD      LYS  86  -7.219   1.421   8.866
  655    HE2  LYS  86           1HE      LYS  86  -8.981   3.444  10.288
  656    HE3  LYS  86           2HE      LYS  86  -9.663   2.014   9.493
  657    HZ1  LYS  86           3HZ      LYS  86  -9.241   1.464  11.760
  658    HZ2  LYS  86           1HZ      LYS  86  -8.145   0.647  10.846
  659    HZ3  LYS  86           2HZ      LYS  86  -7.691   1.972  11.712
  660    H    ALA  87           H        ALA  87  -4.606   2.107   5.449
  661    HA   ALA  87           HA       ALA  87  -1.688   2.641   5.327
  662    HB1  ALA  87           1HB      ALA  87  -2.693   0.300   5.514
  663    HB2  ALA  87           2HB      ALA  87  -3.334   0.520   3.868
  664    HB3  ALA  87           3HB      ALA  87  -1.578   0.547   4.166
  665    H    ALA  88           H        ALA  88  -4.606   2.767   3.259
  666    HA   ALA  88           HA       ALA  88  -3.269   3.524   0.875
  667    HB1  ALA  88           1HB      ALA  88  -5.584   2.512   1.179
  668    HB2  ALA  88           2HB      ALA  88  -6.148   4.145   1.631
  669    HB3  ALA  88           3HB      ALA  88  -5.474   3.834   0.024
  670    H    LYS  89           H        LYS  89  -4.642   5.637   3.457
  671    HA   LYS  89           HA       LYS  89  -4.094   8.099   2.074
  672    HB2  LYS  89           1HB      LYS  89  -4.528   9.147   4.127
  673    HB3  LYS  89           2HB      LYS  89  -5.605   7.734   4.030
  674    HG2  LYS  89           1HG      LYS  89  -3.928   6.538   5.539
  675    HG3  LYS  89           2HG      LYS  89  -3.148   8.100   5.789
  676    HD2  LYS  89           1HD      LYS  89  -6.048   7.423   6.440
  677    HD3  LYS  89           2HD      LYS  89  -4.717   7.531   7.605
  678    HE2  LYS  89           1HE      LYS  89  -4.395   9.931   7.016
  679    HE3  LYS  89           2HE      LYS  89  -5.738   9.829   5.870
  680    HZ1  LYS  89           3HZ      LYS  89  -6.464  10.732   7.991
  681    HZ2  LYS  89           1HZ      LYS  89  -7.209   9.303   7.734
  682    HZ3  LYS  89           2HZ      LYS  89  -5.968   9.402   8.799
  683    H    CYS  90           H        CYS  90  -2.145   6.069   4.124
  684    HA   CYS  90           HA       CYS  90   0.160   7.837   4.351
  685    HB2  CYS  90           1HB      CYS  90  -0.527   6.318   6.054
  686    HB3  CYS  90           2HB      CYS  90  -0.424   4.921   4.976
  687    H    ALA  91           H        ALA  91  -0.790   5.167   2.184
  688    HA   ALA  91           HA       ALA  91   1.547   5.038   0.597
  689    HB1  ALA  91           1HB      ALA  91  -0.400   3.470   0.540
  690    HB2  ALA  91           2HB      ALA  91  -1.359   4.727  -0.257
  691    HB3  ALA  91           3HB      ALA  91   0.062   4.058  -1.074
  692    H    LYS  92           H        LYS  92  -1.314   7.305   0.203
  693    HA   LYS  92           HA       LYS  92  -0.174   8.746  -1.951
  694    HB2  LYS  92           1HB      LYS  92  -1.792  10.101   0.210
  695    HB3  LYS  92           2HB      LYS  92  -1.662  10.525  -1.489
  696    HG2  LYS  92           1HG      LYS  92  -3.151   8.254  -0.206
  697    HG3  LYS  92           2HG      LYS  92  -3.839   9.605  -1.056
  698    HD2  LYS  92           1HD      LYS  92  -2.145   7.495  -2.490
  699    HD3  LYS  92           2HD      LYS  92  -3.845   7.310  -2.136
  700    HE2  LYS  92           1HE      LYS  92  -3.749   8.037  -4.353
  701    HE3  LYS  92           2HE      LYS  92  -4.405   9.357  -3.384
  702    HZ1  LYS  92           3HZ      LYS  92  -2.777  10.134  -5.004
  703    HZ2  LYS  92           1HZ      LYS  92  -2.227  10.436  -3.501
  704    HZ3  LYS  92           2HZ      LYS  92  -1.605   9.186  -4.378
  705    H    LYS  93           H        LYS  93   0.352   9.276   1.555
  706    HA   LYS  93           HA       LYS  93   2.036  11.590   1.251
  707    HB2  LYS  93           1HB      LYS  93   0.816  10.998   3.313
  708    HB3  LYS  93           2HB      LYS  93   1.787   9.540   3.488
  709    HG2  LYS  93           1HG      LYS  93   2.509  11.231   5.044
  710    HG3  LYS  93           2HG      LYS  93   3.802  10.867   3.908
  711    HD2  LYS  93           1HD      LYS  93   3.317  12.973   2.677
  712    HD3  LYS  93           2HD      LYS  93   1.964  13.302   3.791
  713    HE2  LYS  93           1HE      LYS  93   3.571  13.261   5.708
  714    HE3  LYS  93           2HE      LYS  93   4.898  12.961   4.585
  715    HZ1  LYS  93           3HZ      LYS  93   4.738  15.303   5.156
  716    HZ2  LYS  93           1HZ      LYS  93   4.436  15.122   3.561
  717    HZ3  LYS  93           2HZ      LYS  93   3.203  15.400   4.605
  718    H    ILE  94           H        ILE  94   2.785   8.156   0.993
  719    HA   ILE  94           HA       ILE  94   5.698   8.604   0.766
  720    HB   ILE  94           HB       ILE  94   3.927   6.226   0.071
  721   HG12  ILE  94          1HG1      ILE  94   5.945   6.502   2.323
  722   HG13  ILE  94          2HG1      ILE  94   4.262   6.923   2.559
  723   HG21  ILE  94          1HG2      ILE  94   5.921   6.200  -1.354
  724   HG22  ILE  94          2HG2      ILE  94   6.963   6.547   0.041
  725   HG23  ILE  94          3HG2      ILE  94   6.114   4.987  -0.092
  726   HD11  ILE  94          3HD1      ILE  94   4.613   4.692   3.378
  727   HD12  ILE  94          1HD1      ILE  94   3.580   4.611   1.941
  728   HD13  ILE  94          2HD1      ILE  94   5.300   4.158   1.837
  729    H    TYR  95           H        TYR  95   3.029   8.003  -1.569
  730    HA   TYR  95           HA       TYR  95   4.493   8.271  -3.938
  731    HB2  TYR  95           1HB      TYR  95   2.459   7.379  -4.260
  732    HB3  TYR  95           2HB      TYR  95   1.653   8.424  -3.112
  733    HD1  TYR  95           2HD      TYR  95   1.153  10.853  -3.747
  734    HD2  TYR  95           1HD      TYR  95   2.122   7.760  -6.588
  735    HE1  TYR  95           2HE      TYR  95   0.100  12.192  -5.563
  736    HE2  TYR  95           1HE      TYR  95   1.090   9.097  -8.405
  737    HH   TYR  95           HH       TYR  95  -0.005  11.048  -8.963
  738    H    LYS  96           H        LYS  96   3.350  10.854  -1.854
  739    HA   LYS  96           HA       LYS  96   3.851  13.148  -3.381
  740    HB2  LYS  96           1HB      LYS  96   3.563  12.316  -0.560
  741    HB3  LYS  96           2HB      LYS  96   4.725  13.613  -0.712
  742    HG2  LYS  96           1HG      LYS  96   2.608  14.593  -0.310
  743    HG3  LYS  96           2HG      LYS  96   3.061  14.950  -1.980
  744    HD2  LYS  96           1HD      LYS  96   1.557  13.009  -2.686
  745    HD3  LYS  96           2HD      LYS  96   0.992  12.934  -1.013
  746    HE2  LYS  96           1HE      LYS  96   0.811  15.372  -2.846
  747    HE3  LYS  96           2HE      LYS  96  -0.501  14.228  -2.559
  748    HZ1  LYS  96           3HZ      LYS  96  -0.736  16.165  -1.154
  749    HZ2  LYS  96           1HZ      LYS  96  -0.464  14.865  -0.207
  750    HZ3  LYS  96           2HZ      LYS  96   0.733  15.951  -0.482
  751    H    ARG  97           H        ARG  97   6.256  10.879  -2.315
  752    HA   ARG  97           HA       ARG  97   8.397  12.658  -3.422
  753    HB2  ARG  97           1HB      ARG  97   8.578  10.845  -0.978
  754    HB3  ARG  97           2HB      ARG  97   9.953  11.625  -1.747
  755    HG2  ARG  97           1HG      ARG  97   7.601  13.065  -0.436
  756    HG3  ARG  97           2HG      ARG  97   9.184  12.795   0.289
  757    HD2  ARG  97           1HD      ARG  97  10.264  14.151  -1.451
  758    HD3  ARG  97           2HD      ARG  97   8.722  14.424  -2.253
  759    HE   ARG  97           HE       ARG  97   9.618  15.519   0.351
  760   HH11  ARG  97          1HH1      ARG  97   6.973  15.423  -2.025
  761   HH12  ARG  97          2HH1      ARG  97   6.263  16.884  -1.401
  762   HH21  ARG  97          1HH2      ARG  97   8.627  17.382   1.090
  763   HH22  ARG  97          2HH2      ARG  97   7.165  17.954   0.349
  764    H    HIS  98           H        HIS  98   7.163   9.395  -3.009
  765    HA   HIS  98           HA       HIS  98   8.870   8.384  -5.254
  766    HB2  HIS  98           1HB      HIS  98   8.345   7.128  -2.526
  767    HB3  HIS  98           2HB      HIS  98   9.136   6.315  -3.869
  768    HD2  HIS  98           2HD      HIS  98   9.852   8.502  -0.928
  769    HE1  HIS  98           1HE      HIS  98  13.435   8.567  -3.229
  770    HE2  HIS  98           2HE      HIS  98  12.397   9.175  -0.982
  771    H    ARG  99           H        ARG  99   6.961   8.673  -6.589
  772    HA   ARG  99           HA       ARG  99   4.369   8.051  -6.058
  773    HB2  ARG  99           1HB      ARG  99   3.889   7.992  -8.337
  774    HB3  ARG  99           2HB      ARG  99   4.937   9.326  -7.858
  775    HG2  ARG  99           1HG      ARG  99   6.908   8.122  -8.825
  776    HG3  ARG  99           2HG      ARG  99   5.818   6.795  -9.336
  777    HD2  ARG  99           1HD      ARG  99   4.414   8.431 -10.509
  778    HD3  ARG  99           2HD      ARG  99   5.525   9.727 -10.039
  779    HE   ARG  99           HE       ARG  99   7.085   7.777 -11.350
  780   HH11  ARG  99          1HH1      ARG  99   4.471   9.963 -12.305
  781   HH12  ARG  99          2HH1      ARG  99   5.000  10.018 -13.961
  782   HH21  ARG  99          1HH2      ARG  99   7.712   7.891 -13.499
  783   HH22  ARG  99          2HH2      ARG  99   6.812   8.863 -14.623
  784    H    PHE 100           H        PHE 100   6.683   5.734  -7.425
  785    HA   PHE 100           HA       PHE 100   5.117   3.492  -6.236
  786    HB2  PHE 100           1HB      PHE 100   6.342   3.414  -9.007
  787    HB3  PHE 100           2HB      PHE 100   5.455   2.135  -8.185
  788    HD1  PHE 100           1HD      PHE 100   2.994   2.834  -7.365
  789    HD2  PHE 100           2HD      PHE 100   5.150   4.602 -10.653
  790    HE1  PHE 100           1HE      PHE 100   0.864   3.549  -8.373
  791    HE2  PHE 100           2HE      PHE 100   3.003   5.330 -11.663
  792    HZ   PHE 100           HZ       PHE 100   0.854   4.798 -10.527
  793    H    ASP 101           H        ASP 101   8.070   5.093  -6.534
  794    HA   ASP 101           HA       ASP 101   9.934   3.023  -6.892
  795    HB2  ASP 101           1HB      ASP 101  10.513   5.680  -5.562
  796    HB3  ASP 101           2HB      ASP 101  11.549   4.736  -6.615
  797    H    ALA 102           H        ALA 102   8.308   3.955  -3.996
  798    HA   ALA 102           HA       ALA 102  10.379   3.134  -2.111
  799    HB1  ALA 102           1HB      ALA 102   8.776   4.929  -1.592
  800    HB2  ALA 102           2HB      ALA 102   7.422   3.783  -1.751
  801    HB3  ALA 102           3HB      ALA 102   8.605   3.594  -0.443
  802    H    TRP 103           H        TRP 103   8.349   1.321  -4.074
  803    HA   TRP 103           HA       TRP 103   8.259  -0.998  -2.174
  804    HB2  TRP 103           1HB      TRP 103   6.287  -0.122  -4.324
  805    HB3  TRP 103           2HB      TRP 103   6.157  -1.590  -3.372
  806    HD1  TRP 103           HD       TRP 103   5.631  -1.309  -0.741
  807    HE1  TRP 103           1HE      TRP 103   4.225   0.399   0.494
  808    HE3  TRP 103           3HE      TRP 103   5.794   2.473  -4.179
  809    HZ2  TRP 103           2HZ      TRP 103   3.127   3.053  -0.017
  810    HZ3  TRP 103           3HZ      TRP 103   4.545   4.575  -3.795
  811    HH2  TRP 103           HH       TRP 103   3.164   4.859  -1.746
  812    H    TYR 104           H        TYR 104   9.288  -2.708  -2.691
  813    HA   TYR 104           HA       TYR 104  10.890  -2.734  -5.050
  814    HB2  TYR 104           1HB      TYR 104  11.493  -3.609  -2.759
  815    HB3  TYR 104           2HB      TYR 104  10.461  -5.004  -3.079
  816    HD1  TYR 104           1HD      TYR 104  13.291  -3.014  -4.443
  817    HD2  TYR 104           2HD      TYR 104  11.353  -6.850  -4.329
  818    HE1  TYR 104           1HE      TYR 104  15.157  -3.990  -5.814
  819    HE2  TYR 104           2HE      TYR 104  13.201  -7.841  -5.687
  820    HH   TYR 104           HH       TYR 104  15.975  -5.879  -6.849
  821    H    GLY 105           H        GLY 105   7.872  -4.460  -4.260
  822    HA2  GLY 105           1HA      GLY 105   7.950  -6.389  -6.362
  823    HA3  GLY 105           2HA      GLY 105   6.489  -5.759  -5.557
  824    H    TRP 106           H        TRP 106   7.020  -2.952  -6.414
  825    HA   TRP 106           HA       TRP 106   5.834  -3.077  -9.038
  826    HB2  TRP 106           1HB      TRP 106   5.197  -1.336  -7.560
  827    HB3  TRP 106           2HB      TRP 106   6.854  -0.752  -7.410
  828    HD1  TRP 106           HD       TRP 106   3.880  -0.744  -9.815
  829    HE1  TRP 106           1HE      TRP 106   4.303   0.905 -11.733
  830    HE3  TRP 106           3HE      TRP 106   8.700   0.522  -8.694
  831    HZ2  TRP 106           2HZ      TRP 106   6.489   2.597 -12.647
  832    HZ3  TRP 106           3HZ      TRP 106   9.954   2.103 -10.106
  833    HH2  TRP 106           HH       TRP 106   8.859   3.166 -12.089
  834    H    LYS 107           H        LYS 107   9.126  -2.124  -7.913
  835    HA   LYS 107           HA       LYS 107  10.046  -1.784 -10.671
  836    HB2  LYS 107           1HB      LYS 107  12.262  -1.382  -9.658
  837    HB3  LYS 107           2HB      LYS 107  10.983  -0.291  -9.148
  838    HG2  LYS 107           1HG      LYS 107  10.735  -1.427  -7.031
  839    HG3  LYS 107           2HG      LYS 107  11.930  -2.660  -7.483
  840    HD2  LYS 107           1HD      LYS 107  12.480   0.329  -7.180
  841    HD3  LYS 107           2HD      LYS 107  12.785  -0.889  -5.935
  842    HE2  LYS 107           1HE      LYS 107  14.358  -2.071  -7.466
  843    HE3  LYS 107           2HE      LYS 107  14.082  -0.835  -8.699
  844    HZ1  LYS 107           3HZ      LYS 107  16.087  -0.372  -7.428
  845    HZ2  LYS 107           1HZ      LYS 107  14.997   0.815  -7.166
  846    HZ3  LYS 107           2HZ      LYS 107  15.258  -0.325  -6.021
  847    H    ASN 108           H        ASN 108   9.748  -4.570  -8.691
  848    HA   ASN 108           HA       ASN 108  11.715  -6.084 -10.297
  849    HB2  ASN 108           1HB      ASN 108  11.537  -6.248  -7.798
  850    HB3  ASN 108           2HB      ASN 108   9.974  -7.043  -8.006
  851   HD21  ASN 108          2HD2      ASN 108  13.498  -7.328  -8.511
  852   HD22  ASN 108          1HD2      ASN 108  13.480  -9.056  -8.800
  853    H    HIS 109           H        HIS 109   8.150  -5.866 -10.014
  854    HA   HIS 109           HA       HIS 109   7.903  -7.944 -12.178
  855    HB2  HIS 109           1HB      HIS 109   5.971  -7.266  -9.938
  856    HB3  HIS 109           2HB      HIS 109   5.740  -8.484 -11.187
  857    HD2  HIS 109           2HD      HIS 109   7.145  -8.052  -7.766
  858    HE1  HIS 109           1HE      HIS 109   8.571 -11.843  -9.074
  859    HE2  HIS 109           2HE      HIS 109   8.317 -10.303  -7.061
  860    H    CYS 110           H        CYS 110   6.365  -4.883 -11.020
  861    HA   CYS 110           HA       CYS 110   4.437  -4.802 -13.139
  862    HB2  CYS 110           1HB      CYS 110   5.477  -2.511 -11.439
  863    HB3  CYS 110           2HB      CYS 110   4.022  -2.502 -12.396
  864    H    GLN 111           H        GLN 111   7.756  -4.185 -13.402
  865    HA   GLN 111           HA       GLN 111   7.659  -2.184 -15.528
  866    HB2  GLN 111           1HB      GLN 111   9.910  -4.126 -14.859
  867    HB3  GLN 111           2HB      GLN 111  10.029  -2.616 -15.758
  868    HG2  GLN 111           1HG      GLN 111   9.494  -2.957 -12.783
  869    HG3  GLN 111           2HG      GLN 111  10.934  -2.300 -13.537
  870   HE21  GLN 111          2HE2      GLN 111   8.065  -1.407 -11.984
  871   HE22  GLN 111          1HE2      GLN 111   8.046   0.259 -12.546
  872    H    GLY 112           H        GLY 112   7.248  -5.672 -15.435
  873    HA2  GLY 112           1HA      GLY 112   7.914  -6.081 -18.278
  874    HA3  GLY 112           2HA      GLY 112   7.319  -7.286 -17.113
  875    H    SER 113           H        SER 113   4.960  -6.131 -16.250
  876    HA   SER 113           HA       SER 113   3.206  -5.252 -18.357
  877    HB2  SER 113           1HB      SER 113   3.607  -7.675 -19.025
  878    HB3  SER 113           2HB      SER 113   2.849  -8.148 -17.497
  879    HG   SER 113           HG       SER 113   1.370  -8.085 -19.296
  880    H    LEU 114           H        LEU 114   0.988  -4.990 -17.597
  881    HA   LEU 114           HA       LEU 114   0.611  -5.149 -14.644
  882    HB2  LEU 114           1HB      LEU 114  -0.311  -3.066 -16.671
  883    HB3  LEU 114           2HB      LEU 114  -0.852  -3.127 -14.999
  884    HG   LEU 114           HG       LEU 114   2.066  -2.744 -15.811
  885   HD11  LEU 114          1HD1      LEU 114   0.613  -0.907 -16.586
  886   HD12  LEU 114          2HD1      LEU 114   0.006  -0.687 -14.924
  887   HD13  LEU 114          3HD1      LEU 114   1.721  -0.390 -15.304
  888   HD21  LEU 114          3HD2      LEU 114   2.226  -1.895 -13.432
  889   HD22  LEU 114          1HD2      LEU 114   0.596  -2.527 -13.144
  890   HD23  LEU 114          2HD2      LEU 114   1.921  -3.636 -13.553
  891    HA   PRO 115           HA       PRO 115  -3.193  -7.363 -15.628
  892    HB2  PRO 115           1HB      PRO 115  -4.685  -6.890 -13.412
  893    HB3  PRO 115           2HB      PRO 115  -3.223  -7.929 -13.368
  894    HG2  PRO 115           1HG      PRO 115  -3.457  -5.003 -12.596
  895    HG3  PRO 115           2HG      PRO 115  -2.685  -6.334 -11.673
  896    HD2  PRO 115           1HD      PRO 115  -1.264  -4.637 -13.285
  897    HD3  PRO 115           2HD      PRO 115  -0.815  -6.361 -13.106
  898    H    ASP 116           H        ASP 116  -5.184  -6.897 -16.519
  899    HA   ASP 116           HA       ASP 116  -5.873  -4.077 -17.023
  900    HB2  ASP 116           1HB      ASP 116  -5.895  -5.948 -18.751
  901    HB3  ASP 116           2HB      ASP 116  -7.344  -6.551 -17.949
  902    H    ILE 117           H        ILE 117  -7.875  -3.251 -16.645
  903    HA   ILE 117           HA       ILE 117  -9.422  -4.187 -14.257
  904    HB   ILE 117           HB       ILE 117  -9.278  -1.929 -13.291
  905   HG12  ILE 117          1HG1      ILE 117  -7.176  -1.320 -15.427
  906   HG13  ILE 117          2HG1      ILE 117  -8.842  -0.750 -15.494
  907   HG21  ILE 117          1HG2      ILE 117  -7.698  -3.728 -12.577
  908   HG22  ILE 117          2HG2      ILE 117  -6.487  -3.085 -13.705
  909   HG23  ILE 117          3HG2      ILE 117  -7.054  -2.101 -12.343
  910   HD11  ILE 117          3HD1      ILE 117  -7.459   0.992 -14.648
  911   HD12  ILE 117          1HD1      ILE 117  -8.537   0.427 -13.350
  912   HD13  ILE 117          2HD1      ILE 117  -6.818  -0.063 -13.368
  913    H    SER 118           H        SER 118  -9.594  -3.191 -17.419
  914    HA   SER 118           HA       SER 118 -11.677  -1.306 -17.495
  915    HB2  SER 118           1HB      SER 118 -12.074  -2.059 -19.772
  916    HB3  SER 118           2HB      SER 118 -10.338  -1.989 -19.432
  917    HG   SER 118           HG       SER 118 -10.802  -3.929 -20.498
  918    H    SER 119           H        SER 119 -12.035  -4.685 -16.637
  919    HA   SER 119           HA       SER 119 -14.933  -4.775 -16.939
  920    HB2  SER 119           1HB      SER 119 -13.039  -6.560 -15.367
  921    HB3  SER 119           2HB      SER 119 -14.721  -6.917 -15.782
  922    HG   SER 119           HG       SER 119 -13.249  -7.925 -17.239
  923    H    CYS 120           H        CYS 120 -12.986  -3.191 -14.623
  924    HA   CYS 120           HA       CYS 120 -14.734  -3.713 -12.304
  925    HB2  CYS 120           1HB      CYS 120 -12.213  -2.056 -12.544
  926    HB3  CYS 120           2HB      CYS 120 -12.990  -2.583 -11.056
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  -8.192  -8.433  10.528
    2    H2   GLY   1           2H       GLY   1  -6.753  -8.896   9.877
    3    H3   GLY   1           3H       GLY   1  -6.880  -7.439  10.622
    4    HA2  GLY   1           1HA      GLY   1  -8.346  -6.600   8.942
    5    HA3  GLY   1           2HA      GLY   1  -6.817  -7.183   8.253
    6    H    LYS   2           H        LYS   2  -7.711  -7.546   6.231
    7    HA   LYS   2           HA       LYS   2  -9.008 -10.115   5.813
    8    HB2  LYS   2           1HB      LYS   2 -10.975  -9.313   4.708
    9    HB3  LYS   2           2HB      LYS   2 -10.925  -8.580   6.311
   10    HG2  LYS   2           1HG      LYS   2 -10.057  -6.467   5.336
   11    HG3  LYS   2           2HG      LYS   2 -10.095  -7.186   3.723
   12    HD2  LYS   2           1HD      LYS   2 -12.543  -6.794   5.487
   13    HD3  LYS   2           2HD      LYS   2 -12.017  -5.691   4.204
   14    HE2  LYS   2           1HE      LYS   2 -12.209  -7.527   2.534
   15    HE3  LYS   2           2HE      LYS   2 -12.807  -8.609   3.801
   16    HZ1  LYS   2           3HZ      LYS   2 -14.630  -7.619   2.556
   17    HZ2  LYS   2           1HZ      LYS   2 -14.694  -7.104   4.105
   18    HZ3  LYS   2           2HZ      LYS   2 -14.142  -6.106   2.931
   19    H    THR   3           H        THR   3  -9.282 -10.605   3.487
   20    HA   THR   3           HA       THR   3  -7.185  -9.318   1.795
   21    HB   THR   3           HB       THR   3  -8.377 -12.052   1.303
   22    HG1  THR   3           1HG      THR   3  -6.270 -11.282   3.038
   23   HG21  THR   3          3HG2      THR   3  -6.199 -12.392   0.152
   24   HG22  THR   3          1HG2      THR   3  -7.100 -11.039  -0.548
   25   HG23  THR   3          2HG2      THR   3  -5.735 -10.721   0.539
   26    H    PHE   4           H        PHE   4  -7.727  -8.319   0.017
   27    HA   PHE   4           HA       PHE   4 -10.570  -8.141  -0.823
   28    HB2  PHE   4           1HB      PHE   4  -8.099  -6.451  -1.368
   29    HB3  PHE   4           2HB      PHE   4  -9.604  -6.189  -2.203
   30    HD1  PHE   4           1HD      PHE   4  -8.165  -6.345   1.286
   31    HD2  PHE   4           2HD      PHE   4 -11.222  -4.706  -1.294
   32    HE1  PHE   4           1HE      PHE   4  -9.026  -4.975   3.158
   33    HE2  PHE   4           2HE      PHE   4 -12.083  -3.365   0.592
   34    HZ   PHE   4           HZ       PHE   4 -11.004  -3.506   2.828
   35    H    THR   5           H        THR   5 -11.070  -8.129  -3.073
   36    HA   THR   5           HA       THR   5  -9.378  -9.874  -4.829
   37    HB   THR   5           HB       THR   5 -11.658 -10.721  -4.430
   38    HG1  THR   5           1HG      THR   5 -11.947 -11.098  -6.626
   39   HG21  THR   5          3HG2      THR   5 -13.590  -9.673  -5.446
   40   HG22  THR   5          1HG2      THR   5 -12.890  -8.514  -4.308
   41   HG23  THR   5          2HG2      THR   5 -12.619  -8.324  -6.058
   42    H    ARG   6           H        ARG   6  -9.217  -9.108  -7.129
   43    HA   ARG   6           HA       ARG   6  -8.129  -6.501  -7.150
   44    HB2  ARG   6           1HB      ARG   6  -7.576  -8.349  -8.729
   45    HB3  ARG   6           2HB      ARG   6  -9.087  -8.040  -9.594
   46    HG2  ARG   6           1HG      ARG   6  -8.343  -5.715 -10.072
   47    HG3  ARG   6           2HG      ARG   6  -6.856  -5.986  -9.151
   48    HD2  ARG   6           1HD      ARG   6  -7.692  -7.480 -11.669
   49    HD3  ARG   6           2HD      ARG   6  -6.535  -6.144 -11.603
   50    HE   ARG   6           HE       ARG   6  -5.310  -7.732  -9.879
   51   HH11  ARG   6          1HH1      ARG   6  -6.929  -8.936 -12.802
   52   HH12  ARG   6          2HH1      ARG   6  -5.841 -10.286 -12.931
   53   HH21  ARG   6          1HH2      ARG   6  -3.862  -9.304 -10.227
   54   HH22  ARG   6          2HH2      ARG   6  -4.129 -10.521 -11.460
   55    H    CYS   7           H        CYS   7 -11.340  -7.538  -8.402
   56    HA   CYS   7           HA       CYS   7 -12.205  -4.962  -9.282
   57    HB2  CYS   7           1HB      CYS   7 -13.882  -7.270  -8.231
   58    HB3  CYS   7           2HB      CYS   7 -14.459  -5.921  -9.206
   59    H    GLY   8           H        GLY   8 -12.272  -6.380  -6.040
   60    HA2  GLY   8           1HA      GLY   8 -13.869  -4.258  -4.816
   61    HA3  GLY   8           2HA      GLY   8 -12.898  -5.501  -3.981
   62    H    LEU   9           H        LEU   9 -10.352  -5.039  -4.964
   63    HA   LEU   9           HA       LEU   9  -9.426  -2.781  -3.519
   64    HB2  LEU   9           1HB      LEU   9  -8.164  -4.880  -3.984
   65    HB3  LEU   9           2HB      LEU   9  -8.086  -4.459  -5.696
   66    HG   LEU   9           HG       LEU   9  -6.796  -2.422  -5.135
   67   HD11  LEU   9          1HD1      LEU   9  -7.562  -1.916  -2.892
   68   HD12  LEU   9          2HD1      LEU   9  -6.981  -3.481  -2.291
   69   HD13  LEU   9          3HD1      LEU   9  -5.826  -2.226  -2.816
   70   HD21  LEU   9          3HD2      LEU   9  -4.711  -3.530  -4.655
   71   HD22  LEU   9          1HD2      LEU   9  -5.555  -4.908  -3.913
   72   HD23  LEU   9          2HD2      LEU   9  -5.683  -4.609  -5.663
   73    H    VAL  10           H        VAL  10  -9.749  -3.185  -7.097
   74    HA   VAL  10           HA       VAL  10  -8.907  -0.615  -7.895
   75    HB   VAL  10           HB       VAL  10 -11.091  -2.410  -9.019
   76   HG11  VAL  10          1HG1      VAL  10 -11.776  -0.270  -9.820
   77   HG12  VAL  10          2HG1      VAL  10 -10.113   0.252 -10.103
   78   HG13  VAL  10          3HG1      VAL  10 -10.847  -0.981 -11.139
   79   HG21  VAL  10          3HG2      VAL  10  -9.467  -2.867 -10.789
   80   HG22  VAL  10          1HG2      VAL  10  -8.314  -1.720 -10.075
   81   HG23  VAL  10          2HG2      VAL  10  -8.733  -3.214  -9.223
   82    H    HIS  11           H        HIS  11 -12.142  -1.600  -6.747
   83    HA   HIS  11           HA       HIS  11 -13.356   1.023  -6.941
   84    HB2  HIS  11           1HB      HIS  11 -14.109  -1.500  -5.425
   85    HB3  HIS  11           2HB      HIS  11 -15.075  -0.041  -5.412
   86    HD2  HIS  11           2HD      HIS  11 -13.751  -0.428  -8.887
   87    HE1  HIS  11           1HE      HIS  11 -17.562  -2.325  -8.917
   88    HE2  HIS  11           2HE      HIS  11 -15.695  -1.420 -10.377
   89    H    GLU  12           H        GLU  12 -11.916  -0.739  -4.173
   90    HA   GLU  12           HA       GLU  12 -12.513   1.174  -2.164
   91    HB2  GLU  12           1HB      GLU  12 -11.517  -1.321  -2.157
   92    HB3  GLU  12           2HB      GLU  12  -9.990  -0.479  -2.065
   93    HG2  GLU  12           1HG      GLU  12 -10.791  -1.117   0.135
   94    HG3  GLU  12           2HG      GLU  12 -10.756   0.649  -0.007
   95    H    LEU  13           H        LEU  13  -9.684   0.909  -4.333
   96    HA   LEU  13           HA       LEU  13  -8.330   3.242  -3.235
   97    HB2  LEU  13           1HB      LEU  13  -8.039   1.775  -5.867
   98    HB3  LEU  13           2HB      LEU  13  -6.876   2.935  -5.234
   99    HG   LEU  13           HG       LEU  13  -7.585   0.324  -3.890
  100   HD11  LEU  13          1HD1      LEU  13  -6.453  -0.028  -6.024
  101   HD12  LEU  13          2HD1      LEU  13  -5.185   1.138  -5.565
  102   HD13  LEU  13          3HD1      LEU  13  -5.344  -0.401  -4.686
  103   HD21  LEU  13          3HD2      LEU  13  -5.614   0.698  -2.510
  104   HD22  LEU  13          1HD2      LEU  13  -5.354   2.289  -3.281
  105   HD23  LEU  13          2HD2      LEU  13  -6.788   1.995  -2.272
  106    H    ARG  14           H        ARG  14 -10.416   2.753  -6.102
  107    HA   ARG  14           HA       ARG  14 -10.368   5.435  -7.092
  108    HB2  ARG  14           1HB      ARG  14 -12.517   3.299  -7.114
  109    HB3  ARG  14           2HB      ARG  14 -12.814   4.899  -7.791
  110    HG2  ARG  14           1HG      ARG  14 -11.100   4.665  -9.443
  111    HG3  ARG  14           2HG      ARG  14 -10.490   3.175  -8.702
  112    HD2  ARG  14           1HD      ARG  14 -12.567   2.011  -9.167
  113    HD3  ARG  14           2HD      ARG  14 -13.293   3.492  -9.840
  114    HE   ARG  14           HE       ARG  14 -10.933   2.967 -11.284
  115   HH11  ARG  14          1HH1      ARG  14 -14.135   1.498 -10.870
  116   HH12  ARG  14          2HH1      ARG  14 -14.004   0.592 -12.364
  117   HH21  ARG  14          1HH2      ARG  14 -10.918   1.791 -13.271
  118   HH22  ARG  14          2HH2      ARG  14 -12.285   0.776 -13.655
  119    H    LYS  15           H        LYS  15 -12.389   4.022  -4.490
  120    HA   LYS  15           HA       LYS  15 -13.817   6.384  -3.727
  121    HB2  LYS  15           1HB      LYS  15 -14.605   4.161  -3.267
  122    HB3  LYS  15           2HB      LYS  15 -13.078   3.702  -2.527
  123    HG2  LYS  15           1HG      LYS  15 -13.539   5.285  -0.654
  124    HG3  LYS  15           2HG      LYS  15 -15.162   5.547  -1.336
  125    HD2  LYS  15           1HD      LYS  15 -15.689   3.166  -1.075
  126    HD3  LYS  15           2HD      LYS  15 -13.999   2.803  -0.678
  127    HE2  LYS  15           1HE      LYS  15 -14.234   4.294   1.355
  128    HE3  LYS  15           2HE      LYS  15 -15.975   4.347   1.045
  129    HZ1  LYS  15           3HZ      LYS  15 -15.273   2.552   2.611
  130    HZ2  LYS  15           1HZ      LYS  15 -16.040   1.948   1.294
  131    HZ3  LYS  15           2HZ      LYS  15 -14.412   1.836   1.406
  132    H    HIS  16           H        HIS  16 -10.721   4.968  -2.574
  133    HA   HIS  16           HA       HIS  16 -10.351   7.023  -0.563
  134    HB2  HIS  16           1HB      HIS  16  -8.609   4.724  -1.530
  135    HB3  HIS  16           2HB      HIS  16  -8.195   5.787  -0.187
  136    HD2  HIS  16           2HD      HIS  16  -8.280   3.092   0.831
  137    HE1  HIS  16           1HE      HIS  16 -12.354   3.448   1.918
  138    HE2  HIS  16           2HE      HIS  16 -10.263   2.124   2.306
  139    H    GLY  17           H        GLY  17  -9.812   7.295  -3.840
  140    HA2  GLY  17           1HA      GLY  17  -9.196   9.382  -4.771
  141    HA3  GLY  17           2HA      GLY  17  -8.169   9.741  -3.366
  142    H    PHE  18           H        PHE  18  -8.136   6.803  -5.422
  143    HA   PHE  18           HA       PHE  18  -5.367   7.449  -6.341
  144    HB2  PHE  18           1HB      PHE  18  -6.935   4.882  -6.168
  145    HB3  PHE  18           2HB      PHE  18  -5.388   5.016  -6.977
  146    HD1  PHE  18           2HD      PHE  18  -6.900   5.825  -3.574
  147    HD2  PHE  18           1HD      PHE  18  -3.500   4.388  -5.789
  148    HE1  PHE  18           2HE      PHE  18  -5.692   5.488  -1.482
  149    HE2  PHE  18           1HE      PHE  18  -2.301   3.960  -3.661
  150    HZ   PHE  18           HZ       PHE  18  -3.389   4.499  -1.497
  151    H    GLU  19           H        GLU  19  -4.931   7.614  -8.531
  152    HA   GLU  19           HA       GLU  19  -7.158   8.456 -10.173
  153    HB2  GLU  19           1HB      GLU  19  -4.237   8.120 -10.933
  154    HB3  GLU  19           2HB      GLU  19  -5.465   9.016 -11.829
  155    HG2  GLU  19           1HG      GLU  19  -4.373   9.728  -9.081
  156    HG3  GLU  19           2HG      GLU  19  -3.973  10.504 -10.607
  157    H    GLU  20           H        GLU  20  -8.122   7.490 -11.907
  158    HA   GLU  20           HA       GLU  20  -8.085   4.692 -12.146
  159    HB2  GLU  20           1HB      GLU  20  -9.576   4.959 -14.022
  160    HB3  GLU  20           2HB      GLU  20 -10.001   6.070 -12.722
  161    HG2  GLU  20           1HG      GLU  20  -8.858   7.927 -13.968
  162    HG3  GLU  20           2HG      GLU  20  -8.499   6.801 -15.280
  163    H    ASN  21           H        ASN  21  -6.041   7.011 -13.862
  164    HA   ASN  21           HA       ASN  21  -5.135   5.031 -15.820
  165    HB2  ASN  21           1HB      ASN  21  -3.794   6.738 -16.718
  166    HB3  ASN  21           2HB      ASN  21  -5.345   7.474 -16.343
  167   HD21  ASN  21          2HD2      ASN  21  -2.400   8.509 -16.561
  168   HD22  ASN  21          1HD2      ASN  21  -2.226   9.449 -15.090
  169    H    LEU  22           H        LEU  22  -4.283   5.811 -12.564
  170    HA   LEU  22           HA       LEU  22  -1.646   4.401 -12.778
  171    HB2  LEU  22           1HB      LEU  22  -2.892   5.914 -10.454
  172    HB3  LEU  22           2HB      LEU  22  -1.278   5.211 -10.501
  173    HG   LEU  22           HG       LEU  22  -2.278   7.575 -12.118
  174   HD11  LEU  22          1HD1      LEU  22  -1.833   8.026  -9.732
  175   HD12  LEU  22          2HD1      LEU  22  -0.195   7.358  -9.906
  176   HD13  LEU  22          3HD1      LEU  22  -0.652   8.841 -10.771
  177   HD21  LEU  22          3HD2      LEU  22   0.063   7.832 -12.911
  178   HD22  LEU  22          1HD2      LEU  22   0.478   6.272 -12.176
  179   HD23  LEU  22          2HD2      LEU  22  -0.680   6.352 -13.523
  180    H    MET  23           H        MET  23  -4.924   3.862 -11.877
  181    HA   MET  23           HA       MET  23  -4.860   2.160  -9.763
  182    HB2  MET  23           1HB      MET  23  -6.803   3.074 -11.160
  183    HB3  MET  23           2HB      MET  23  -6.611   1.691 -12.202
  184    HG2  MET  23           1HG      MET  23  -8.400   1.344 -10.531
  185    HG3  MET  23           2HG      MET  23  -7.109   0.172 -10.297
  186    HE1  MET  23           3HE      MET  23  -8.078   3.846  -7.717
  187    HE2  MET  23           1HE      MET  23  -6.825   4.053  -8.962
  188    HE3  MET  23           2HE      MET  23  -8.470   3.581  -9.422
  189    H    ARG  24           H        ARG  24  -4.295   1.041 -13.146
  190    HA   ARG  24           HA       ARG  24  -3.869  -1.691 -12.636
  191    HB2  ARG  24           1HB      ARG  24  -2.405   0.057 -14.668
  192    HB3  ARG  24           2HB      ARG  24  -2.513  -1.707 -14.681
  193    HG2  ARG  24           1HG      ARG  24  -5.015  -1.500 -14.873
  194    HG3  ARG  24           2HG      ARG  24  -4.811   0.256 -15.020
  195    HD2  ARG  24           1HD      ARG  24  -5.041  -0.558 -17.227
  196    HD3  ARG  24           2HD      ARG  24  -3.326  -0.156 -17.023
  197    HE   ARG  24           HE       ARG  24  -3.861  -2.923 -16.365
  198   HH11  ARG  24          1HH1      ARG  24  -3.530  -0.862 -19.226
  199   HH12  ARG  24          2HH1      ARG  24  -3.082  -2.198 -20.243
  200   HH21  ARG  24          1HH2      ARG  24  -3.228  -4.584 -17.715
  201   HH22  ARG  24          2HH2      ARG  24  -2.922  -4.277 -19.396
  202    H    ASN  25           H        ASN  25  -1.422   0.955 -12.525
  203    HA   ASN  25           HA       ASN  25   0.811  -0.680 -11.774
  204    HB2  ASN  25           1HB      ASN  25   0.271   2.278 -11.203
  205    HB3  ASN  25           2HB      ASN  25   1.775   1.442 -10.894
  206   HD21  ASN  25          2HD2      ASN  25   2.953   2.851 -12.258
  207   HD22  ASN  25          1HD2      ASN  25   2.810   2.728 -14.005
  208    H    TRP  26           H        TRP  26  -1.558   1.193  -9.806
  209    HA   TRP  26           HA       TRP  26  -0.396   0.573  -7.286
  210    HB2  TRP  26           1HB      TRP  26  -3.124   1.551  -8.170
  211    HB3  TRP  26           2HB      TRP  26  -2.773   1.207  -6.485
  212    HD1  TRP  26           HD       TRP  26  -2.669   4.004  -8.802
  213    HE1  TRP  26           1HE      TRP  26  -1.414   5.985  -7.781
  214    HE3  TRP  26           3HE      TRP  26  -0.228   1.548  -5.031
  215    HZ2  TRP  26           2HZ      TRP  26   0.224   6.493  -5.432
  216    HZ3  TRP  26           3HZ      TRP  26   1.158   2.801  -3.409
  217    HH2  TRP  26           HH       TRP  26   1.370   5.272  -3.580
  218    H    VAL  27           H        VAL  27  -3.236  -1.037  -8.896
  219    HA   VAL  27           HA       VAL  27  -3.483  -2.907  -6.727
  220    HB   VAL  27           HB       VAL  27  -4.921  -4.275  -7.998
  221   HG11  VAL  27          1HG1      VAL  27  -5.716  -2.056  -7.163
  222   HG12  VAL  27          2HG1      VAL  27  -5.518  -1.415  -8.805
  223   HG13  VAL  27          3HG1      VAL  27  -6.656  -2.737  -8.498
  224   HG21  VAL  27          3HG2      VAL  27  -5.441  -3.890 -10.397
  225   HG22  VAL  27          1HG2      VAL  27  -4.050  -2.790 -10.498
  226   HG23  VAL  27          2HG2      VAL  27  -3.810  -4.511 -10.119
  227    H    CYS  28           H        CYS  28  -1.489  -3.054  -9.693
  228    HA   CYS  28           HA       CYS  28  -0.668  -5.789  -9.259
  229    HB2  CYS  28           1HB      CYS  28  -0.678  -4.448 -11.380
  230    HB3  CYS  28           2HB      CYS  28   0.774  -3.629 -10.832
  231    H    LEU  29           H        LEU  29   0.855  -2.655  -8.404
  232    HA   LEU  29           HA       LEU  29   3.125  -3.573  -6.985
  233    HB2  LEU  29           1HB      LEU  29   2.690  -1.286  -7.650
  234    HB3  LEU  29           2HB      LEU  29   1.275  -1.168  -6.631
  235    HG   LEU  29           HG       LEU  29   4.110  -1.461  -5.564
  236   HD11  LEU  29          1HD1      LEU  29   3.768   0.624  -6.889
  237   HD12  LEU  29          2HD1      LEU  29   2.336   1.008  -5.914
  238   HD13  LEU  29          3HD1      LEU  29   3.945   0.978  -5.172
  239   HD21  LEU  29          3HD2      LEU  29   3.025  -0.426  -3.486
  240   HD22  LEU  29          1HD2      LEU  29   1.451  -0.773  -4.215
  241   HD23  LEU  29          2HD2      LEU  29   2.573  -2.091  -3.793
  242    H    VAL  30           H        VAL  30  -0.157  -2.868  -5.694
  243    HA   VAL  30           HA       VAL  30   0.322  -3.833  -3.070
  244    HB   VAL  30           HB       VAL  30  -2.199  -3.521  -4.717
  245   HG11  VAL  30          1HG1      VAL  30  -2.763  -5.306  -3.165
  246   HG12  VAL  30          2HG1      VAL  30  -2.034  -4.404  -1.821
  247   HG13  VAL  30          3HG1      VAL  30  -3.505  -3.808  -2.624
  248   HG21  VAL  30          3HG2      VAL  30  -2.592  -1.616  -3.221
  249   HG22  VAL  30          1HG2      VAL  30  -1.155  -2.030  -2.262
  250   HG23  VAL  30          2HG2      VAL  30  -0.978  -1.465  -3.930
  251    H    GLU  31           H        GLU  31  -0.922  -5.646  -5.939
  252    HA   GLU  31           HA       GLU  31  -1.267  -8.110  -4.559
  253    HB2  GLU  31           1HB      GLU  31  -0.835  -7.379  -7.475
  254    HB3  GLU  31           2HB      GLU  31  -0.942  -9.069  -6.974
  255    HG2  GLU  31           1HG      GLU  31  -3.136  -8.805  -6.092
  256    HG3  GLU  31           2HG      GLU  31  -3.099  -7.049  -6.265
  257    H    HIS  32           H        HIS  32   1.683  -6.705  -5.976
  258    HA   HIS  32           HA       HIS  32   3.226  -9.146  -5.476
  259    HB2  HIS  32           1HB      HIS  32   3.839  -6.389  -6.483
  260    HB3  HIS  32           2HB      HIS  32   5.119  -7.564  -6.138
  261    HD2  HIS  32           2HD      HIS  32   3.449  -6.380  -9.003
  262    HE1  HIS  32           1HE      HIS  32   3.766 -10.526  -9.896
  263    HE2  HIS  32           2HE      HIS  32   3.328  -8.217 -10.889
  264    H    GLU  33           H        GLU  33   2.512  -6.246  -3.629
  265    HA   GLU  33           HA       GLU  33   4.701  -6.736  -1.714
  266    HB2  GLU  33           1HB      GLU  33   2.562  -4.602  -1.918
  267    HB3  GLU  33           2HB      GLU  33   3.691  -4.695  -0.576
  268    HG2  GLU  33           1HG      GLU  33   4.560  -4.426  -3.474
  269    HG3  GLU  33           2HG      GLU  33   4.323  -3.081  -2.370
  270    H    SER  34           H        SER  34   1.068  -6.569  -1.354
  271    HA   SER  34           HA       SER  34   1.341  -8.246   1.122
  272    HB2  SER  34           1HB      SER  34  -0.923  -7.460   1.655
  273    HB3  SER  34           2HB      SER  34   0.185  -6.123   1.545
  274    HG   SER  34           HG       SER  34  -0.815  -5.392  -0.184
  275    H    SER  35           H        SER  35   0.212  -8.420  -2.111
  276    HA   SER  35           HA       SER  35  -1.133  -9.814  -3.279
  277    HB2  SER  35           1HB      SER  35  -1.359 -11.672  -0.902
  278    HB3  SER  35           2HB      SER  35  -1.756 -12.000  -2.588
  279    HG   SER  35           HG       SER  35   0.854 -11.366  -1.612
  280    H    ARG  36           H        ARG  36  -2.126  -7.568  -1.608
  281    HA   ARG  36           HA       ARG  36  -4.043  -6.473  -1.388
  282    HB2  ARG  36           1HB      ARG  36  -5.717  -8.839  -2.252
  283    HB3  ARG  36           2HB      ARG  36  -6.098  -7.123  -2.320
  284    HG2  ARG  36           1HG      ARG  36  -4.233  -6.874  -4.039
  285    HG3  ARG  36           2HG      ARG  36  -4.123  -8.625  -4.076
  286    HD2  ARG  36           1HD      ARG  36  -6.692  -7.105  -4.665
  287    HD3  ARG  36           2HD      ARG  36  -5.557  -7.639  -5.896
  288    HE   ARG  36           HE       ARG  36  -7.025  -9.443  -4.005
  289   HH11  ARG  36          1HH1      ARG  36  -5.636  -9.056  -7.286
  290   HH12  ARG  36          2HH1      ARG  36  -6.066 -10.692  -7.696
  291   HH21  ARG  36          1HH2      ARG  36  -7.469 -11.498  -4.632
  292   HH22  ARG  36          2HH2      ARG  36  -7.119 -12.030  -6.247
  293    H    ASP  37           H        ASP  37  -2.855  -7.939   0.774
  294    HA   ASP  37           HA       ASP  37  -5.212  -8.690   2.481
  295    HB2  ASP  37           1HB      ASP  37  -3.746 -10.606   1.888
  296    HB3  ASP  37           2HB      ASP  37  -2.368  -9.750   2.564
  297    H    THR  38           H        THR  38  -5.639  -7.183   4.013
  298    HA   THR  38           HA       THR  38  -3.656  -5.197   4.766
  299    HB   THR  38           HB       THR  38  -5.206  -4.455   6.505
  300    HG1  THR  38           1HG      THR  38  -7.143  -5.379   6.740
  301   HG21  THR  38          3HG2      THR  38  -7.055  -3.728   5.082
  302   HG22  THR  38          1HG2      THR  38  -5.505  -3.570   4.245
  303   HG23  THR  38          2HG2      THR  38  -6.606  -4.919   3.847
  304    H    SER  39           H        SER  39  -4.522  -8.347   6.044
  305    HA   SER  39           HA       SER  39  -3.428  -7.977   8.689
  306    HB2  SER  39           1HB      SER  39  -4.044 -10.495   7.102
  307    HB3  SER  39           2HB      SER  39  -3.711 -10.426   8.835
  308    HG   SER  39           HG       SER  39  -5.980 -10.482   8.201
  309    H    LYS  40           H        LYS  40  -1.708  -8.087   5.825
  310    HA   LYS  40           HA       LYS  40   0.233 -10.090   6.418
  311    HB2  LYS  40           1HB      LYS  40  -0.506  -9.185   4.146
  312    HB3  LYS  40           2HB      LYS  40   0.448  -7.758   4.477
  313    HG2  LYS  40           1HG      LYS  40   1.784  -9.190   3.107
  314    HG3  LYS  40           2HG      LYS  40   2.503  -9.233   4.695
  315    HD2  LYS  40           1HD      LYS  40   2.481 -11.452   3.683
  316    HD3  LYS  40           2HD      LYS  40   1.447 -11.457   5.113
  317    HE2  LYS  40           1HE      LYS  40  -0.565 -11.202   3.655
  318    HE3  LYS  40           2HE      LYS  40   0.474 -11.158   2.227
  319    HZ1  LYS  40           3HZ      LYS  40  -0.444 -13.362   2.589
  320    HZ2  LYS  40           1HZ      LYS  40   1.180 -13.429   2.762
  321    HZ3  LYS  40           2HZ      LYS  40   0.210 -13.462   4.082
  322    H    THR  41           H        THR  41   2.318 -10.018   7.055
  323    HA   THR  41           HA       THR  41   3.722  -7.652   8.030
  324    HB   THR  41           HB       THR  41   4.149  -8.825  10.274
  325    HG1  THR  41           1HG      THR  41   2.496 -10.231  10.950
  326   HG21  THR  41          3HG2      THR  41   2.203  -7.955  11.437
  327   HG22  THR  41          1HG2      THR  41   2.809  -6.797  10.265
  328   HG23  THR  41          2HG2      THR  41   1.339  -7.737   9.900
  329    H    ASN  42           H        ASN  42   5.847  -7.946   8.382
  330    HA   ASN  42           HA       ASN  42   7.179 -10.550   8.106
  331    HB2  ASN  42           1HB      ASN  42   7.401  -8.318   6.030
  332    HB3  ASN  42           2HB      ASN  42   8.642  -9.487   6.243
  333   HD21  ASN  42          2HD2      ASN  42   5.570  -8.894   4.832
  334   HD22  ASN  42          1HD2      ASN  42   5.392 -10.471   4.047
  335    H    THR  43           H        THR  43   8.831 -10.503   9.561
  336    HA   THR  43           HA       THR  43   9.817  -7.942  10.663
  337    HB   THR  43           HB       THR  43  10.509 -10.781  11.492
  338    HG1  THR  43           1HG      THR  43   8.864 -10.510  12.981
  339   HG21  THR  43          3HG2      THR  43  11.008  -9.663  13.678
  340   HG22  THR  43          1HG2      THR  43  12.078  -9.095  12.392
  341   HG23  THR  43          2HG2      THR  43  10.718  -8.080  12.922
  342    H    ASN  44           H        ASN  44  11.804  -7.138  10.456
  343    HA   ASN  44           HA       ASN  44  13.525  -8.283   8.307
  344    HB2  ASN  44           1HB      ASN  44  13.382  -5.460   9.421
  345    HB3  ASN  44           2HB      ASN  44  14.269  -5.975   7.987
  346   HD21  ASN  44          2HD2      ASN  44  11.652  -4.313   8.827
  347   HD22  ASN  44          1HD2      ASN  44  10.556  -4.714   7.496
  348    H    ARG  45           H        ARG  45  15.839  -7.904   8.435
  349    HA   ARG  45           HA       ARG  45  17.055  -8.888  10.833
  350    HB2  ARG  45           1HB      ARG  45  18.372  -7.507   8.455
  351    HB3  ARG  45           2HB      ARG  45  19.189  -8.478   9.687
  352    HG2  ARG  45           1HG      ARG  45  17.781 -10.456   9.001
  353    HG3  ARG  45           2HG      ARG  45  17.085  -9.458   7.715
  354    HD2  ARG  45           1HD      ARG  45  18.797 -10.800   6.727
  355    HD3  ARG  45           2HD      ARG  45  19.373  -9.125   6.765
  356    HE   ARG  45           HE       ARG  45  20.221 -10.579   9.113
  357   HH11  ARG  45          1HH2      ARG  45  21.028 -10.291   5.681
  358   HH12  ARG  45          2HH2      ARG  45  22.674 -10.792   5.933
  359   HH21  ARG  45          1HH1      ARG  45  22.358 -11.204   9.371
  360   HH22  ARG  45          2HH1      ARG  45  23.411 -11.306   7.993
  361    H    ASN  46           H        ASN  46  16.443  -5.642   9.756
  362    HA   ASN  46           HA       ASN  46  18.155  -4.231  11.606
  363    HB2  ASN  46           1HB      ASN  46  17.319  -3.319   9.469
  364    HB3  ASN  46           2HB      ASN  46  15.660  -3.389  10.066
  365   HD21  ASN  46          2HD2      ASN  46  18.869  -1.853  10.709
  366   HD22  ASN  46          1HD2      ASN  46  18.179  -0.402  11.410
  367    H    GLY  47           H        GLY  47  15.224  -5.965  12.168
  368    HA2  GLY  47           1HA      GLY  47  14.148  -6.304  14.212
  369    HA3  GLY  47           2HA      GLY  47  14.865  -4.819  14.880
  370    H    SER  48           H        SER  48  13.650  -3.966  11.904
  371    HA   SER  48           HA       SER  48  11.093  -2.901  12.928
  372    HB2  SER  48           1HB      SER  48  11.005  -1.788  10.770
  373    HB3  SER  48           2HB      SER  48  12.576  -1.514  11.530
  374    HG   SER  48           HG       SER  48  13.226  -2.144   9.583
  375    H    LYS  49           H        LYS  49   9.194  -3.134  11.348
  376    HA   LYS  49           HA       LYS  49   9.023  -5.769  10.014
  377    HB2  LYS  49           1HB      LYS  49   8.296  -5.870  12.484
  378    HB3  LYS  49           2HB      LYS  49   6.918  -4.874  12.007
  379    HG2  LYS  49           1HG      LYS  49   6.304  -6.710  10.348
  380    HG3  LYS  49           2HG      LYS  49   7.564  -7.684  11.106
  381    HD2  LYS  49           1HD      LYS  49   5.081  -6.571  12.455
  382    HD3  LYS  49           2HD      LYS  49   5.384  -8.257  12.003
  383    HE2  LYS  49           1HE      LYS  49   7.331  -8.328  13.550
  384    HE3  LYS  49           2HE      LYS  49   6.984  -6.662  14.034
  385    HZ1  LYS  49           3HZ      LYS  49   6.034  -8.246  15.596
  386    HZ2  LYS  49           1HZ      LYS  49   4.834  -7.406  14.872
  387    HZ3  LYS  49           2HZ      LYS  49   5.144  -8.953  14.424
  388    H    ASP  50           H        ASP  50   7.341  -5.934   8.494
  389    HA   ASP  50           HA       ASP  50   6.276  -3.373   7.452
  390    HB2  ASP  50           1HB      ASP  50   6.288  -4.351   5.445
  391    HB3  ASP  50           2HB      ASP  50   7.132  -5.714   6.155
  392    H    TYR  51           H        TYR  51   4.146  -2.859   7.278
  393    HA   TYR  51           HA       TYR  51   2.079  -4.665   8.424
  394    HB2  TYR  51           1HB      TYR  51   2.439  -1.732   9.143
  395    HB3  TYR  51           2HB      TYR  51   1.130  -2.777   9.684
  396    HD1  TYR  51           2HD      TYR  51   4.749  -2.030   9.957
  397    HD2  TYR  51           1HD      TYR  51   1.454  -4.288  11.559
  398    HE1  TYR  51           2HE      TYR  51   6.122  -2.605  11.905
  399    HE2  TYR  51           1HE      TYR  51   2.804  -4.822  13.586
  400    HH   TYR  51           HH       TYR  51   6.163  -3.625  14.004
  401    H    GLY  52           H        GLY  52   0.183  -4.640   7.376
  402    HA2  GLY  52           1HA      GLY  52  -1.648  -3.812   6.283
  403    HA3  GLY  52           2HA      GLY  52  -0.851  -2.243   6.089
  404    H    LEU  53           H        LEU  53  -2.176  -2.462   4.113
  405    HA   LEU  53           HA       LEU  53  -1.627  -4.474   2.204
  406    HB2  LEU  53           1HB      LEU  53  -3.644  -2.620   2.619
  407    HB3  LEU  53           2HB      LEU  53  -2.778  -1.830   1.315
  408    HG   LEU  53           HG       LEU  53  -2.910  -4.283   0.209
  409   HD11  LEU  53          1HD1      LEU  53  -3.943  -5.264   2.216
  410   HD12  LEU  53          2HD1      LEU  53  -5.341  -4.181   2.027
  411   HD13  LEU  53          3HD1      LEU  53  -5.010  -5.396   0.797
  412   HD21  LEU  53          3HD2      LEU  53  -5.004  -3.690  -0.863
  413   HD22  LEU  53          1HD2      LEU  53  -5.274  -2.397   0.343
  414   HD23  LEU  53          2HD2      LEU  53  -3.906  -2.289  -0.795
  415    H    PHE  54           H        PHE  54   0.057  -1.566   2.720
  416    HA   PHE  54           HA       PHE  54   1.488  -1.746   0.100
  417    HB2  PHE  54           1HB      PHE  54   1.105   0.626   1.965
  418    HB3  PHE  54           2HB      PHE  54   1.985   0.654   0.450
  419    HD1  PHE  54           2HD      PHE  54  -1.391   0.369   1.954
  420    HD2  PHE  54           1HD      PHE  54   0.859   0.832  -1.688
  421    HE1  PHE  54           2HE      PHE  54  -3.467   0.980   0.764
  422    HE2  PHE  54           1HE      PHE  54  -1.219   1.492  -2.872
  423    HZ   PHE  54           HZ       PHE  54  -3.387   1.558  -1.662
  424    H    GLN  55           H        GLN  55   1.915  -3.104   2.844
  425    HA   GLN  55           HA       GLN  55   3.535  -3.743   4.198
  426    HB2  GLN  55           1HB      GLN  55   4.772  -3.515   1.437
  427    HB3  GLN  55           2HB      GLN  55   5.862  -3.962   2.753
  428    HG2  GLN  55           1HG      GLN  55   4.803  -5.839   1.377
  429    HG3  GLN  55           2HG      GLN  55   4.836  -6.003   3.120
  430   HE21  GLN  55          2HE2      GLN  55   2.916  -6.314   4.161
  431   HE22  GLN  55          1HE2      GLN  55   1.351  -5.977   3.464
  432    H    ILE  56           H        ILE  56   3.067  -1.422   5.100
  433    HA   ILE  56           HA       ILE  56   5.200   0.537   4.731
  434    HB   ILE  56           HB       ILE  56   2.850   0.767   6.655
  435   HG12  ILE  56          1HG1      ILE  56   2.999   1.295   3.640
  436   HG13  ILE  56          2HG1      ILE  56   1.893   0.159   4.445
  437   HG21  ILE  56          1HG2      ILE  56   4.722   2.394   6.775
  438   HG22  ILE  56          2HG2      ILE  56   4.408   2.854   5.087
  439   HG23  ILE  56          3HG2      ILE  56   3.183   3.127   6.354
  440   HD11  ILE  56          3HD1      ILE  56   0.545   1.965   3.841
  441   HD12  ILE  56          1HD1      ILE  56   0.864   2.251   5.566
  442   HD13  ILE  56          2HD1      ILE  56   1.762   3.150   4.312
  443    H    ASN  57           H        ASN  57   6.810   1.069   6.128
  444    HA   ASN  57           HA       ASN  57   7.299  -0.891   8.279
  445    HB2  ASN  57           1HB      ASN  57   8.838  -0.606   6.345
  446    HB3  ASN  57           2HB      ASN  57   9.200   1.028   6.923
  447   HD21  ASN  57          2HD2      ASN  57  10.098  -2.270   7.137
  448   HD22  ASN  57          1HD2      ASN  57  11.139  -2.112   8.548
  449    H    ASP  58           H        ASP  58   7.582  -0.444  10.310
  450    HA   ASP  58           HA       ASP  58   6.542   1.874  11.516
  451    HB2  ASP  58           1HB      ASP  58   7.059   0.858  13.579
  452    HB3  ASP  58           2HB      ASP  58   6.555  -0.408  12.468
  453    H    ARG  59           H        ARG  59   9.720   1.503  10.329
  454    HA   ARG  59           HA       ARG  59  11.078   3.229  12.250
  455    HB2  ARG  59           1HB      ARG  59  12.040   1.279  10.976
  456    HB3  ARG  59           2HB      ARG  59  12.027   2.290   9.521
  457    HG2  ARG  59           1HG      ARG  59  13.592   3.863  10.555
  458    HG3  ARG  59           2HG      ARG  59  13.412   3.054  12.124
  459    HD2  ARG  59           1HD      ARG  59  14.316   0.946  11.030
  460    HD3  ARG  59           2HD      ARG  59  14.704   1.915   9.611
  461    HE   ARG  59           HE       ARG  59  15.807   2.204  12.373
  462   HH11  ARG  59          1HH1      ARG  59  16.228   2.983   8.931
  463   HH12  ARG  59          2HH1      ARG  59  17.819   3.631   9.193
  464   HH21  ARG  59          1HH2      ARG  59  17.867   3.050  12.614
  465   HH22  ARG  59          2HH2      ARG  59  18.728   3.669  11.240
  466    H    TYR  60           H        TYR  60   9.152   3.798   9.416
  467    HA   TYR  60           HA       TYR  60  10.327   6.549   9.051
  468    HB2  TYR  60           1HB      TYR  60   9.351   4.614   6.930
  469    HB3  TYR  60           2HB      TYR  60  10.060   6.186   6.641
  470    HD1  TYR  60           2HD      TYR  60  12.510   6.317   8.157
  471    HD2  TYR  60           1HD      TYR  60  10.709   2.858   6.314
  472    HE1  TYR  60           2HE      TYR  60  14.725   5.195   8.094
  473    HE2  TYR  60           1HE      TYR  60  12.920   1.735   6.247
  474    HH   TYR  60           HH       TYR  60  15.162   1.906   6.716
  475    H    TRP  61           H        TRP  61   7.432   4.682   8.031
  476    HA   TRP  61           HA       TRP  61   6.003   7.252   7.664
  477    HB2  TRP  61           1HB      TRP  61   5.289   4.477   6.763
  478    HB3  TRP  61           2HB      TRP  61   4.648   5.958   6.121
  479    HD1  TRP  61           HD       TRP  61   7.038   3.361   5.389
  480    HE1  TRP  61           1HE      TRP  61   8.751   4.027   3.599
  481    HE3  TRP  61           3HE      TRP  61   6.131   8.402   5.227
  482    HZ2  TRP  61           2HZ      TRP  61   9.522   6.412   2.173
  483    HZ3  TRP  61           3HZ      TRP  61   7.271   9.821   3.554
  484    HH2  TRP  61           HH       TRP  61   8.985   8.848   2.035
  485    H    CYS  62           H        CYS  62   5.236   4.004   9.030
  486    HA   CYS  62           HA       CYS  62   3.120   5.219  10.733
  487    HB2  CYS  62           1HB      CYS  62   2.514   2.775  11.108
  488    HB3  CYS  62           2HB      CYS  62   2.233   3.429   9.517
  489    H    SER  63           H        SER  63   2.893   4.248  12.929
  490    HA   SER  63           HA       SER  63   5.532   4.077  14.353
  491    HB2  SER  63           1HB      SER  63   4.119   6.093  14.801
  492    HB3  SER  63           2HB      SER  63   2.820   5.027  15.346
  493    HG   SER  63           HG       SER  63   3.891   5.568  17.166
  494    H    LYS  64           H        LYS  64   5.959   2.298  15.537
  495    HA   LYS  64           HA       LYS  64   3.973   0.134  15.794
  496    HB2  LYS  64           1HB      LYS  64   5.881  -1.127  16.757
  497    HB3  LYS  64           2HB      LYS  64   6.176  -0.532  15.135
  498    HG2  LYS  64           1HG      LYS  64   7.670   1.167  15.888
  499    HG3  LYS  64           2HG      LYS  64   7.102   1.070  17.562
  500    HD2  LYS  64           1HD      LYS  64   8.121  -1.043  17.924
  501    HD3  LYS  64           2HD      LYS  64   8.507  -1.243  16.190
  502    HE2  LYS  64           1HE      LYS  64   9.946   0.784  16.302
  503    HE3  LYS  64           2HE      LYS  64   9.611   0.925  18.035
  504    HZ1  LYS  64           3HZ      LYS  64  11.715  -0.215  17.628
  505    HZ2  LYS  64           1HZ      LYS  64  10.671  -1.257  18.332
  506    HZ3  LYS  64           2HZ      LYS  64  10.982  -1.364  16.727
  507    H    GLY  65           H        GLY  65   4.735   2.785  17.728
  508    HA2  GLY  65           1HA      GLY  65   4.790   1.479  20.343
  509    HA3  GLY  65           2HA      GLY  65   4.820   3.210  20.005
  510    H    ALA  66           H        ALA  66   3.392   3.344  21.879
  511    HA   ALA  66           HA       ALA  66   0.730   2.172  21.820
  512    HB1  ALA  66           1HB      ALA  66   2.017   2.566  23.904
  513    HB2  ALA  66           2HB      ALA  66   1.949   4.322  23.615
  514    HB3  ALA  66           3HB      ALA  66   0.459   3.410  23.931
  515    H    SER  67           H        SER  67   1.903   4.741  20.041
  516    HA   SER  67           HA       SER  67  -0.755   5.882  19.536
  517    HB2  SER  67           1HB      SER  67  -0.001   8.174  20.078
  518    HB3  SER  67           2HB      SER  67  -0.032   7.112  21.491
  519    HG   SER  67           HG       SER  67   1.882   8.388  21.415
  520    HA   PRO  68           HA       PRO  68   1.139   6.631  15.507
  521    HB2  PRO  68           1HB      PRO  68  -0.430   8.617  14.502
  522    HB3  PRO  68           2HB      PRO  68  -1.032   6.943  14.739
  523    HG2  PRO  68           1HG      PRO  68  -1.392   9.320  16.586
  524    HG3  PRO  68           2HG      PRO  68  -2.643   8.185  15.982
  525    HD2  PRO  68           1HD      PRO  68  -1.468   7.869  18.413
  526    HD3  PRO  68           2HD      PRO  68  -1.901   6.459  17.402
  527    H    GLY  69           H        GLY  69   2.666   8.084  14.586
  528    HA2  GLY  69           1HA      GLY  69   3.246  10.727  15.444
  529    HA3  GLY  69           2HA      GLY  69   4.022   9.657  16.592
  530    H    LYS  70           H        LYS  70   3.764   8.975  13.125
  531    HA   LYS  70           HA       LYS  70   6.671   9.583  12.702
  532    HB2  LYS  70           1HB      LYS  70   5.093   7.113  11.967
  533    HB3  LYS  70           2HB      LYS  70   6.546   7.541  11.085
  534    HG2  LYS  70           1HG      LYS  70   6.893   7.616  14.048
  535    HG3  LYS  70           2HG      LYS  70   6.453   6.058  13.408
  536    HD2  LYS  70           1HD      LYS  70   8.842   6.230  13.581
  537    HD3  LYS  70           2HD      LYS  70   8.374   6.067  11.884
  538    HE2  LYS  70           1HE      LYS  70   8.787   8.413  11.456
  539    HE3  LYS  70           2HE      LYS  70   8.943   8.764  13.186
  540    HZ1  LYS  70           3HZ      LYS  70  11.107   8.600  12.060
  541    HZ2  LYS  70           1HZ      LYS  70  10.971   7.485  13.243
  542    HZ3  LYS  70           2HZ      LYS  70  10.834   7.028  11.681
  543    H    ASP  71           H        ASP  71   6.759   9.184   9.941
  544    HA   ASP  71           HA       ASP  71   6.112  11.807   9.199
  545    HB2  ASP  71           1HB      ASP  71   7.886  10.401   8.201
  546    HB3  ASP  71           2HB      ASP  71   6.654   9.453   7.362
  547    H    CYS  72           H        CYS  72   4.053   8.980   8.828
  548    HA   CYS  72           HA       CYS  72   2.040  10.574   7.282
  549    HB2  CYS  72           1HB      CYS  72   2.310   7.592   7.671
  550    HB3  CYS  72           2HB      CYS  72   1.108   8.415   6.679
  551    H    ASN  73           H        ASN  73   2.630  10.187  10.438
  552    HA   ASN  73           HA       ASN  73   1.439  10.240  12.345
  553    HB2  ASN  73           1HB      ASN  73   0.975  12.399  11.176
  554    HB3  ASN  73           2HB      ASN  73  -0.541  11.724  10.577
  555   HD21  ASN  73          2HD2      ASN  73  -1.760  13.373  11.713
  556   HD22  ASN  73          1HD2      ASN  73  -1.936  13.307  13.459
  557    H    VAL  74           H        VAL  74   1.201   7.775  11.557
  558    HA   VAL  74           HA       VAL  74  -1.513   6.891  12.293
  559    HB   VAL  74           HB       VAL  74  -1.528   7.180   9.831
  560   HG11  VAL  74          1HG1      VAL  74   0.868   6.675   9.344
  561   HG12  VAL  74          2HG1      VAL  74   0.563   4.966   9.722
  562   HG13  VAL  74          3HG1      VAL  74  -0.252   5.729   8.351
  563   HG21  VAL  74          3HG2      VAL  74  -2.500   5.047   9.277
  564   HG22  VAL  74          1HG2      VAL  74  -1.683   4.257  10.638
  565   HG23  VAL  74          2HG2      VAL  74  -2.944   5.475  10.939
  566    H    LYS  75           H        LYS  75  -1.590   4.896  13.227
  567    HA   LYS  75           HA       LYS  75   0.967   3.793  14.191
  568    HB2  LYS  75           1HB      LYS  75  -1.145   4.511  15.527
  569    HB3  LYS  75           2HB      LYS  75  -1.803   2.944  15.045
  570    HG2  LYS  75           1HG      LYS  75   0.102   1.812  16.173
  571    HG3  LYS  75           2HG      LYS  75   0.834   3.385  16.503
  572    HD2  LYS  75           1HD      LYS  75  -0.123   2.771  18.517
  573    HD3  LYS  75           2HD      LYS  75  -1.217   3.980  17.891
  574    HE2  LYS  75           1HE      LYS  75  -1.754   1.019  17.432
  575    HE3  LYS  75           2HE      LYS  75  -2.035   1.725  19.020
  576    HZ1  LYS  75           3HZ      LYS  75  -4.054   1.802  17.772
  577    HZ2  LYS  75           1HZ      LYS  75  -3.550   3.337  17.973
  578    HZ3  LYS  75           2HZ      LYS  75  -3.395   2.591  16.517
  579    H    CYS  76           H        CYS  76   1.781   1.833  13.634
  580    HA   CYS  76           HA       CYS  76   1.228   0.379  11.329
  581    HB2  CYS  76           1HB      CYS  76   2.361  -0.603  13.983
  582    HB3  CYS  76           2HB      CYS  76   2.546  -1.404  12.431
  583    H    SER  77           H        SER  77  -0.229  -0.218  14.560
  584    HA   SER  77           HA       SER  77  -1.527  -2.687  13.844
  585    HB2  SER  77           1HB      SER  77  -1.009  -1.845  16.163
  586    HB3  SER  77           2HB      SER  77  -2.371  -0.719  15.994
  587    HG   SER  77           HG       SER  77  -2.947  -2.715  17.045
  588    H    ASP  78           H        ASP  78  -2.613   0.731  13.463
  589    HA   ASP  78           HA       ASP  78  -5.326   0.001  12.704
  590    HB2  ASP  78           1HB      ASP  78  -3.710   2.569  12.468
  591    HB3  ASP  78           2HB      ASP  78  -5.377   2.408  11.936
  592    H    LEU  79           H        LEU  79  -2.323  -0.302  11.094
  593    HA   LEU  79           HA       LEU  79  -3.475  -0.066   8.383
  594    HB2  LEU  79           1HB      LEU  79  -0.799  -1.289   9.136
  595    HB3  LEU  79           2HB      LEU  79  -1.338  -0.693   7.576
  596    HG   LEU  79           HG       LEU  79  -0.647   0.987  10.020
  597   HD11  LEU  79          1HD1      LEU  79   1.283   0.158   8.812
  598   HD12  LEU  79          2HD1      LEU  79   0.573   0.625   7.254
  599   HD13  LEU  79          3HD1      LEU  79   1.079   1.870   8.409
  600   HD21  LEU  79          3HD2      LEU  79  -1.025   2.960   8.526
  601   HD22  LEU  79          1HD2      LEU  79  -1.751   1.865   7.334
  602   HD23  LEU  79          2HD2      LEU  79  -2.522   2.103   8.917
  603    H    LEU  80           H        LEU  80  -3.433  -2.438  10.851
  604    HA   LEU  80           HA       LEU  80  -3.714  -4.717   8.986
  605    HB2  LEU  80           1HB      LEU  80  -3.607  -4.707  12.013
  606    HB3  LEU  80           2HB      LEU  80  -3.519  -6.113  10.959
  607    HG   LEU  80           HG       LEU  80  -1.429  -3.924  11.203
  608   HD11  LEU  80          1HD1      LEU  80  -1.541  -5.463  13.124
  609   HD12  LEU  80          2HD1      LEU  80  -1.452  -6.862  12.030
  610   HD13  LEU  80          3HD1      LEU  80  -0.069  -5.769  12.190
  611   HD21  LEU  80          3HD2      LEU  80   0.002  -5.371   9.769
  612   HD22  LEU  80          1HD2      LEU  80  -1.400  -6.414   9.449
  613   HD23  LEU  80          2HD2      LEU  80  -1.392  -4.721   8.902
  614    H    THR  81           H        THR  81  -5.833  -2.505   9.717
  615    HA   THR  81           HA       THR  81  -8.042  -4.092  10.834
  616    HB   THR  81           HB       THR  81  -7.470  -1.782  11.546
  617    HG1  THR  81           1HG      THR  81  -9.645  -1.270  11.754
  618   HG21  THR  81          3HG2      THR  81  -8.017   0.123  10.304
  619   HG22  THR  81          1HG2      THR  81  -7.178  -0.891   9.127
  620   HG23  THR  81          2HG2      THR  81  -8.948  -0.793   9.089
  621    H    ASP  82           H        ASP  82 -10.268  -3.314   9.678
  622    HA   ASP  82           HA       ASP  82 -10.205  -4.986   7.257
  623    HB2  ASP  82           1HB      ASP  82 -12.516  -5.300   7.596
  624    HB3  ASP  82           2HB      ASP  82 -11.749  -5.394   9.176
  625    H    ASP  83           H        ASP  83 -10.102  -1.721   7.690
  626    HA   ASP  83           HA       ASP  83 -10.981  -1.250   4.865
  627    HB2  ASP  83           1HB      ASP  83 -12.416  -0.042   6.555
  628    HB3  ASP  83           2HB      ASP  83 -10.991   0.893   7.013
  629    H    ILE  84           H        ILE  84  -9.410  -0.716   3.559
  630    HA   ILE  84           HA       ILE  84  -6.668  -0.733   4.423
  631    HB   ILE  84           HB       ILE  84  -6.111  -0.647   2.112
  632   HG12  ILE  84          1HG1      ILE  84  -8.952   0.311   1.538
  633   HG13  ILE  84          2HG1      ILE  84  -7.495   1.302   1.508
  634   HG21  ILE  84          1HG2      ILE  84  -7.365  -2.718   2.943
  635   HG22  ILE  84          2HG2      ILE  84  -8.804  -2.079   2.147
  636   HG23  ILE  84          3HG2      ILE  84  -7.377  -2.496   1.193
  637   HD11  ILE  84          3HD1      ILE  84  -8.122   0.775  -0.725
  638   HD12  ILE  84          1HD1      ILE  84  -6.567  -0.008  -0.329
  639   HD13  ILE  84          2HD1      ILE  84  -8.074  -0.966  -0.400
  640    H    THR  85           H        THR  85  -8.866   1.868   4.318
  641    HA   THR  85           HA       THR  85  -7.533   3.985   3.161
  642    HB   THR  85           HB       THR  85  -9.828   4.016   3.855
  643    HG1  THR  85           1HG      THR  85  -9.819   6.170   4.502
  644   HG21  THR  85          3HG2      THR  85 -10.546   4.509   6.094
  645   HG22  THR  85          1HG2      THR  85  -9.540   3.055   6.172
  646   HG23  THR  85          2HG2      THR  85  -8.871   4.623   6.679
  647    H    LYS  86           H        LYS  86  -6.959   2.871   6.485
  648    HA   LYS  86           HA       LYS  86  -5.267   5.053   7.265
  649    HB2  LYS  86           1HB      LYS  86  -5.207   2.149   8.184
  650    HB3  LYS  86           2HB      LYS  86  -4.544   3.526   9.060
  651    HG2  LYS  86           1HG      LYS  86  -7.501   3.002   8.503
  652    HG3  LYS  86           2HG      LYS  86  -6.663   2.770  10.028
  653    HD2  LYS  86           1HD      LYS  86  -6.162   5.220  10.121
  654    HD3  LYS  86           2HD      LYS  86  -7.105   5.443   8.628
  655    HE2  LYS  86           1HE      LYS  86  -9.102   4.470   9.741
  656    HE3  LYS  86           2HE      LYS  86  -8.170   4.249  11.227
  657    HZ1  LYS  86           3HZ      LYS  86  -9.481   6.283  11.301
  658    HZ2  LYS  86           1HZ      LYS  86  -7.894   6.666  11.337
  659    HZ3  LYS  86           2HZ      LYS  86  -8.756   6.872   9.962
  660    H    ALA  87           H        ALA  87  -4.604   2.162   5.379
  661    HA   ALA  87           HA       ALA  87  -1.681   2.681   5.278
  662    HB1  ALA  87           1HB      ALA  87  -2.674   0.344   5.518
  663    HB2  ALA  87           2HB      ALA  87  -3.330   0.525   3.874
  664    HB3  ALA  87           3HB      ALA  87  -1.572   0.558   4.156
  665    H    ALA  88           H        ALA  88  -4.570   2.813   3.174
  666    HA   ALA  88           HA       ALA  88  -3.207   3.480   0.780
  667    HB1  ALA  88           1HB      ALA  88  -5.538   2.574   1.009
  668    HB2  ALA  88           2HB      ALA  88  -6.068   4.179   1.578
  669    HB3  ALA  88           3HB      ALA  88  -5.412   3.975  -0.055
  670    H    LYS  89           H        LYS  89  -4.677   5.726   3.210
  671    HA   LYS  89           HA       LYS  89  -3.906   8.107   1.742
  672    HB2  LYS  89           1HB      LYS  89  -4.643   7.580   4.638
  673    HB3  LYS  89           2HB      LYS  89  -4.326   9.197   3.984
  674    HG2  LYS  89           1HG      LYS  89  -6.134   8.937   2.338
  675    HG3  LYS  89           2HG      LYS  89  -6.483   7.304   2.931
  676    HD2  LYS  89           1HD      LYS  89  -7.050   8.192   5.149
  677    HD3  LYS  89           2HD      LYS  89  -6.697   9.842   4.619
  678    HE2  LYS  89           1HE      LYS  89  -8.812   8.026   3.369
  679    HE3  LYS  89           2HE      LYS  89  -9.149   9.196   4.647
  680    HZ1  LYS  89           3HZ      LYS  89  -9.644  10.136   2.490
  681    HZ2  LYS  89           1HZ      LYS  89  -8.398  10.961   3.147
  682    HZ3  LYS  89           2HZ      LYS  89  -8.126   9.878   1.947
  683    H    CYS  90           H        CYS  90  -2.233   6.108   4.108
  684    HA   CYS  90           HA       CYS  90   0.107   7.831   4.411
  685    HB2  CYS  90           1HB      CYS  90  -0.484   6.252   6.101
  686    HB3  CYS  90           2HB      CYS  90  -0.472   4.900   4.964
  687    H    ALA  91           H        ALA  91  -0.748   5.122   2.204
  688    HA   ALA  91           HA       ALA  91   1.655   5.135   0.702
  689    HB1  ALA  91           1HB      ALA  91  -0.100   3.379   0.666
  690    HB2  ALA  91           2HB      ALA  91  -1.163   4.474  -0.228
  691    HB3  ALA  91           3HB      ALA  91   0.355   3.934  -0.960
  692    H    LYS  92           H        LYS  92  -1.304   7.254   0.237
  693    HA   LYS  92           HA       LYS  92  -0.172   8.634  -1.995
  694    HB2  LYS  92           1HB      LYS  92  -1.931   9.939   0.100
  695    HB3  LYS  92           2HB      LYS  92  -1.718  10.394  -1.583
  696    HG2  LYS  92           1HG      LYS  92  -3.235   8.042  -0.457
  697    HG3  LYS  92           2HG      LYS  92  -3.868   9.409  -1.304
  698    HD2  LYS  92           1HD      LYS  92  -2.287   7.085  -2.442
  699    HD3  LYS  92           2HD      LYS  92  -3.966   7.484  -2.728
  700    HE2  LYS  92           1HE      LYS  92  -1.572   9.126  -3.687
  701    HE3  LYS  92           2HE      LYS  92  -2.525   8.015  -4.671
  702    HZ1  LYS  92           3HZ      LYS  92  -3.243  10.305  -4.984
  703    HZ2  LYS  92           1HZ      LYS  92  -4.465   9.447  -4.325
  704    HZ3  LYS  92           2HZ      LYS  92  -3.594  10.477  -3.399
  705    H    LYS  93           H        LYS  93   0.204   9.284   1.516
  706    HA   LYS  93           HA       LYS  93   1.858  11.605   1.218
  707    HB2  LYS  93           1HB      LYS  93   0.650  11.000   3.280
  708    HB3  LYS  93           2HB      LYS  93   1.667   9.581   3.478
  709    HG2  LYS  93           1HG      LYS  93   2.330  11.348   4.998
  710    HG3  LYS  93           2HG      LYS  93   3.641  10.982   3.879
  711    HD2  LYS  93           1HD      LYS  93   3.173  13.025   2.595
  712    HD3  LYS  93           2HD      LYS  93   1.698  13.304   3.537
  713    HE2  LYS  93           1HE      LYS  93   3.339  14.793   4.404
  714    HE3  LYS  93           2HE      LYS  93   3.109  13.523   5.610
  715    HZ1  LYS  93           3HZ      LYS  93   5.457  14.044   5.227
  716    HZ2  LYS  93           1HZ      LYS  93   5.169  12.492   4.857
  717    HZ3  LYS  93           2HZ      LYS  93   5.348  13.599   3.658
  718    H    ILE  94           H        ILE  94   2.693   8.180   1.063
  719    HA   ILE  94           HA       ILE  94   5.580   8.671   0.807
  720    HB   ILE  94           HB       ILE  94   3.861   6.265   0.072
  721   HG12  ILE  94          1HG1      ILE  94   5.846   6.573   2.340
  722   HG13  ILE  94          2HG1      ILE  94   4.148   6.928   2.570
  723   HG21  ILE  94          1HG2      ILE  94   5.847   6.298  -1.337
  724   HG22  ILE  94          2HG2      ILE  94   6.874   6.718   0.045
  725   HG23  ILE  94          3HG2      ILE  94   6.113   5.107  -0.066
  726   HD11  ILE  94          3HD1      ILE  94   4.566   4.702   3.365
  727   HD12  ILE  94          1HD1      ILE  94   3.571   4.588   1.904
  728   HD13  ILE  94          2HD1      ILE  94   5.310   4.216   1.835
  729    H    TYR  95           H        TYR  95   2.969   8.000  -1.592
  730    HA   TYR  95           HA       TYR  95   4.555   8.144  -3.884
  731    HB2  TYR  95           1HB      TYR  95   2.577   7.246  -4.363
  732    HB3  TYR  95           2HB      TYR  95   1.683   8.235  -3.226
  733    HD1  TYR  95           2HD      TYR  95   1.121  10.667  -3.849
  734    HD2  TYR  95           1HD      TYR  95   2.303   7.642  -6.685
  735    HE1  TYR  95           2HE      TYR  95   0.069  11.976  -5.680
  736    HE2  TYR  95           1HE      TYR  95   1.263   8.953  -8.522
  737    HH   TYR  95           HH       TYR  95  -0.387  12.087  -7.936
  738    H    LYS  96           H        LYS  96   3.280  10.816  -2.035
  739    HA   LYS  96           HA       LYS  96   3.854  13.029  -3.726
  740    HB2  LYS  96           1HB      LYS  96   3.746  12.474  -0.750
  741    HB3  LYS  96           2HB      LYS  96   4.291  14.061  -1.312
  742    HG2  LYS  96           1HG      LYS  96   2.208  14.332  -2.647
  743    HG3  LYS  96           2HG      LYS  96   1.605  12.796  -2.016
  744    HD2  LYS  96           1HD      LYS  96   1.693  13.726   0.296
  745    HD3  LYS  96           2HD      LYS  96   2.313  15.258  -0.355
  746    HE2  LYS  96           1HE      LYS  96   0.247  15.471  -1.753
  747    HE3  LYS  96           2HE      LYS  96  -0.378  13.979  -1.040
  748    HZ1  LYS  96           3HZ      LYS  96  -1.258  15.946   0.076
  749    HZ2  LYS  96           1HZ      LYS  96  -0.353  15.090   1.132
  750    HZ3  LYS  96           2HZ      LYS  96   0.237  16.465   0.468
  751    H    ARG  97           H        ARG  97   6.138  10.923  -2.115
  752    HA   ARG  97           HA       ARG  97   8.408  12.701  -2.954
  753    HB2  ARG  97           1HB      ARG  97   8.435  10.557  -0.803
  754    HB3  ARG  97           2HB      ARG  97   9.747  11.638  -1.240
  755    HG2  ARG  97           1HG      ARG  97   7.167  12.303   0.209
  756    HG3  ARG  97           2HG      ARG  97   8.813  12.407   0.813
  757    HD2  ARG  97           1HD      ARG  97   7.441  14.250  -1.168
  758    HD3  ARG  97           2HD      ARG  97   7.994  14.627   0.447
  759    HE   ARG  97           HE       ARG  97  10.324  14.337  -0.338
  760   HH11  ARG  97          1HH1      ARG  97   7.917  14.984  -2.890
  761   HH12  ARG  97          2HH1      ARG  97   9.092  15.795  -3.878
  762   HH21  ARG  97          1HH2      ARG  97  11.764  15.326  -1.718
  763   HH22  ARG  97          2HH2      ARG  97  11.231  15.945  -3.250
  764    H    HIS  98           H        HIS  98   7.178   9.393  -2.865
  765    HA   HIS  98           HA       HIS  98   9.032   8.555  -5.061
  766    HB2  HIS  98           1HB      HIS  98   8.440   7.088  -2.460
  767    HB3  HIS  98           2HB      HIS  98   9.412   6.464  -3.792
  768    HD2  HIS  98           2HD      HIS  98   9.725   8.284  -0.588
  769    HE1  HIS  98           1HE      HIS  98  13.366   9.133  -2.622
  770    HE2  HIS  98           2HE      HIS  98  12.162   9.254  -0.379
  771    H    ARG  99           H        ARG  99   7.107   8.905  -6.386
  772    HA   ARG  99           HA       ARG  99   4.608   8.066  -6.022
  773    HB2  ARG  99           1HB      ARG  99   4.129   8.225  -8.295
  774    HB3  ARG  99           2HB      ARG  99   5.300   9.459  -7.881
  775    HG2  ARG  99           1HG      ARG  99   5.899   6.858  -9.370
  776    HG3  ARG  99           2HG      ARG  99   5.600   8.421 -10.112
  777    HD2  ARG  99           1HD      ARG  99   7.593   9.361  -8.975
  778    HD3  ARG  99           2HD      ARG  99   7.957   7.754  -8.310
  779    HE   ARG  99           HE       ARG  99   7.638   7.499 -11.113
  780   HH11  ARG  99          1HH1      ARG  99   9.985   8.960  -8.893
  781   HH12  ARG  99          2HH1      ARG  99  11.303   8.725 -10.001
  782   HH21  ARG  99          1HH2      ARG  99   9.384   7.242 -12.486
  783   HH22  ARG  99          2HH2      ARG  99  10.963   7.779 -12.005
  784    H    PHE 100           H        PHE 100   6.992   5.852  -7.465
  785    HA   PHE 100           HA       PHE 100   5.429   3.586  -6.354
  786    HB2  PHE 100           1HB      PHE 100   6.625   3.588  -9.141
  787    HB3  PHE 100           2HB      PHE 100   5.823   2.250  -8.326
  788    HD1  PHE 100           1HD      PHE 100   3.342   2.850  -7.417
  789    HD2  PHE 100           2HD      PHE 100   5.331   4.714 -10.755
  790    HE1  PHE 100           1HE      PHE 100   1.148   3.479  -8.367
  791    HE2  PHE 100           2HE      PHE 100   3.129   5.376 -11.690
  792    HZ   PHE 100           HZ       PHE 100   1.033   4.751 -10.498
  793    H    ASP 101           H        ASP 101   8.419   5.175  -6.615
  794    HA   ASP 101           HA       ASP 101  10.215   2.958  -6.743
  795    HB2  ASP 101           1HB      ASP 101  10.743   5.244  -7.480
  796    HB3  ASP 101           2HB      ASP 101  10.622   5.826  -5.820
  797    H    ALA 102           H        ALA 102   8.382   4.105  -4.060
  798    HA   ALA 102           HA       ALA 102  10.181   3.137  -1.971
  799    HB1  ALA 102           1HB      ALA 102   8.565   4.923  -1.530
  800    HB2  ALA 102           2HB      ALA 102   7.215   3.839  -1.945
  801    HB3  ALA 102           3HB      ALA 102   8.214   3.517  -0.515
  802    H    TRP 103           H        TRP 103   8.306   1.498  -4.270
  803    HA   TRP 103           HA       TRP 103   8.084  -0.968  -2.568
  804    HB2  TRP 103           1HB      TRP 103   6.220   0.102  -4.706
  805    HB3  TRP 103           2HB      TRP 103   6.058  -1.445  -3.888
  806    HD1  TRP 103           HD       TRP 103   5.536  -1.369  -1.224
  807    HE1  TRP 103           1HE      TRP 103   4.175   0.274   0.166
  808    HE3  TRP 103           3HE      TRP 103   5.693   2.640  -4.379
  809    HZ2  TRP 103           2HZ      TRP 103   3.080   2.959  -0.155
  810    HZ3  TRP 103           3HZ      TRP 103   4.485   4.728  -3.830
  811    HH2  TRP 103           HH       TRP 103   3.119   4.879  -1.753
  812    H    TYR 104           H        TYR 104   9.595  -2.245  -3.091
  813    HA   TYR 104           HA       TYR 104  10.890  -2.806  -5.549
  814    HB2  TYR 104           1HB      TYR 104  11.751  -3.567  -3.467
  815    HB3  TYR 104           2HB      TYR 104  10.238  -4.323  -3.008
  816    HD1  TYR 104           2HD      TYR 104  13.123  -4.636  -5.357
  817    HD2  TYR 104           1HD      TYR 104   9.699  -6.529  -3.566
  818    HE1  TYR 104           2HE      TYR 104  13.912  -6.848  -6.209
  819    HE2  TYR 104           1HE      TYR 104  10.457  -8.746  -4.438
  820    HH   TYR 104           HH       TYR 104  13.473  -9.108  -6.356
  821    H    GLY 105           H        GLY 105   7.797  -3.996  -4.244
  822    HA2  GLY 105           1HA      GLY 105   7.218  -6.001  -6.188
  823    HA3  GLY 105           2HA      GLY 105   6.032  -5.121  -5.200
  824    H    TRP 106           H        TRP 106   7.280  -2.556  -6.643
  825    HA   TRP 106           HA       TRP 106   5.740  -2.843  -9.168
  826    HB2  TRP 106           1HB      TRP 106   5.075  -0.992  -7.790
  827    HB3  TRP 106           2HB      TRP 106   6.715  -0.351  -7.771
  828    HD1  TRP 106           HD       TRP 106   3.668  -0.747 -10.051
  829    HE1  TRP 106           1HE      TRP 106   3.962   0.675 -12.173
  830    HE3  TRP 106           3HE      TRP 106   8.448   0.882  -9.269
  831    HZ2  TRP 106           2HZ      TRP 106   6.031   2.298 -13.385
  832    HZ3  TRP 106           3HZ      TRP 106   9.582   2.318 -10.926
  833    HH2  TRP 106           HH       TRP 106   8.384   3.040 -12.995
  834    H    LYS 107           H        LYS 107   8.925  -1.485  -8.103
  835    HA   LYS 107           HA       LYS 107   9.785  -1.233 -10.830
  836    HB2  LYS 107           1HB      LYS 107  12.059  -0.768  -9.797
  837    HB3  LYS 107           2HB      LYS 107  10.729   0.331  -9.466
  838    HG2  LYS 107           1HG      LYS 107  10.442  -0.539  -7.245
  839    HG3  LYS 107           2HG      LYS 107  11.637  -1.832  -7.530
  840    HD2  LYS 107           1HD      LYS 107  13.408  -0.152  -7.806
  841    HD3  LYS 107           2HD      LYS 107  12.213   1.156  -7.705
  842    HE2  LYS 107           1HE      LYS 107  11.641   0.414  -5.384
  843    HE3  LYS 107           2HE      LYS 107  12.940  -0.789  -5.467
  844    HZ1  LYS 107           3HZ      LYS 107  13.609   1.341  -4.413
  845    HZ2  LYS 107           1HZ      LYS 107  14.520   1.021  -5.743
  846    HZ3  LYS 107           2HZ      LYS 107  13.317   2.135  -5.816
  847    H    ASN 108           H        ASN 108   9.975  -4.054  -8.823
  848    HA   ASN 108           HA       ASN 108  11.739  -5.325 -10.884
  849    HB2  ASN 108           1HB      ASN 108  11.236  -6.025  -7.977
  850    HB3  ASN 108           2HB      ASN 108  12.109  -7.055  -9.103
  851   HD21  ASN 108          2HD2      ASN 108  14.289  -6.652  -9.471
  852   HD22  ASN 108          1HD2      ASN 108  15.119  -5.229  -8.865
  853    H    HIS 109           H        HIS 109   8.431  -5.240 -10.017
  854    HA   HIS 109           HA       HIS 109   7.963  -7.847 -11.420
  855    HB2  HIS 109           1HB      HIS 109   6.797  -7.023  -8.745
  856    HB3  HIS 109           2HB      HIS 109   6.344  -8.449  -9.668
  857    HD2  HIS 109           2HD      HIS 109   9.047  -7.162  -7.321
  858    HE1  HIS 109           1HE      HIS 109  10.178 -11.127  -8.375
  859    HE2  HIS 109           2HE      HIS 109  10.697  -9.157  -6.849
  860    H    CYS 110           H        CYS 110   6.912  -4.576 -11.285
  861    HA   CYS 110           HA       CYS 110   4.412  -5.258 -12.805
  862    HB2  CYS 110           1HB      CYS 110   5.377  -2.649 -11.583
  863    HB3  CYS 110           2HB      CYS 110   3.920  -2.833 -12.535
  864    H    GLN 111           H        GLN 111   7.574  -4.864 -13.630
  865    HA   GLN 111           HA       GLN 111   7.264  -2.795 -15.691
  866    HB2  GLN 111           1HB      GLN 111   9.653  -4.574 -15.060
  867    HB3  GLN 111           2HB      GLN 111   9.656  -3.111 -16.042
  868    HG2  GLN 111           1HG      GLN 111   9.185  -3.296 -13.038
  869    HG3  GLN 111           2HG      GLN 111  10.587  -2.630 -13.856
  870   HE21  GLN 111          2HE2      GLN 111   7.853  -1.673 -12.209
  871   HE22  GLN 111          1HE2      GLN 111   7.688  -0.085 -12.952
  872    H    GLY 112           H        GLY 112   7.093  -6.300 -15.689
  873    HA2  GLY 112           1HA      GLY 112   7.651  -6.576 -18.561
  874    HA3  GLY 112           2HA      GLY 112   7.124  -7.846 -17.432
  875    H    SER 113           H        SER 113   4.760  -6.504 -16.496
  876    HA   SER 113           HA       SER 113   2.947  -5.773 -18.591
  877    HB2  SER 113           1HB      SER 113   3.280  -8.232 -19.133
  878    HB3  SER 113           2HB      SER 113   2.602  -8.611 -17.543
  879    HG   SER 113           HG       SER 113   1.030  -8.636 -19.260
  880    H    LEU 114           H        LEU 114   0.806  -5.352 -17.759
  881    HA   LEU 114           HA       LEU 114   0.509  -5.399 -14.790
  882    HB2  LEU 114           1HB      LEU 114  -0.384  -3.363 -16.874
  883    HB3  LEU 114           2HB      LEU 114  -0.957  -3.359 -15.214
  884    HG   LEU 114           HG       LEU 114   1.991  -3.090 -15.961
  885   HD11  LEU 114          1HD1      LEU 114   0.648  -1.242 -16.873
  886   HD12  LEU 114          2HD1      LEU 114  -0.050  -0.946 -15.260
  887   HD13  LEU 114          3HD1      LEU 114   1.690  -0.697 -15.544
  888   HD21  LEU 114          3HD2      LEU 114   2.127  -2.138 -13.629
  889   HD22  LEU 114          1HD2      LEU 114   0.456  -2.656 -13.355
  890   HD23  LEU 114          2HD2      LEU 114   1.726  -3.862 -13.660
  891    HA   PRO 115           HA       PRO 115  -3.317  -7.617 -15.550
  892    HB2  PRO 115           1HB      PRO 115  -4.770  -7.003 -13.338
  893    HB3  PRO 115           2HB      PRO 115  -3.308  -8.040 -13.260
  894    HG2  PRO 115           1HG      PRO 115  -3.524  -5.068 -12.677
  895    HG3  PRO 115           2HG      PRO 115  -2.740  -6.337 -11.679
  896    HD2  PRO 115           1HD      PRO 115  -1.332  -4.766 -13.412
  897    HD3  PRO 115           2HD      PRO 115  -0.904  -6.485 -13.152
  898    H    ASP 116           H        ASP 116  -5.445  -7.230 -16.277
  899    HA   ASP 116           HA       ASP 116  -6.103  -4.482 -17.077
  900    HB2  ASP 116           1HB      ASP 116  -6.434  -6.344 -18.633
  901    HB3  ASP 116           2HB      ASP 116  -7.549  -7.115 -17.500
  902    H    ILE 117           H        ILE 117  -7.909  -3.409 -16.535
  903    HA   ILE 117           HA       ILE 117  -9.422  -4.105 -14.041
  904    HB   ILE 117           HB       ILE 117  -9.266  -1.751 -13.342
  905   HG12  ILE 117          1HG1      ILE 117  -7.206  -1.382 -15.571
  906   HG13  ILE 117          2HG1      ILE 117  -8.877  -0.830 -15.679
  907   HG21  ILE 117          1HG2      ILE 117  -7.673  -3.461 -12.468
  908   HG22  ILE 117          2HG2      ILE 117  -6.493  -2.968 -13.695
  909   HG23  ILE 117          3HG2      ILE 117  -7.013  -1.824 -12.442
  910   HD11  ILE 117          3HD1      ILE 117  -7.494   1.007 -15.060
  911   HD12  ILE 117          1HD1      ILE 117  -8.535   0.589 -13.680
  912   HD13  ILE 117          2HD1      ILE 117  -6.816   0.105 -13.690
  913    H    SER 118           H        SER 118  -9.681  -3.449 -17.283
  914    HA   SER 118           HA       SER 118 -11.724  -1.516 -17.470
  915    HB2  SER 118           1HB      SER 118 -11.293  -3.876 -19.338
  916    HB3  SER 118           2HB      SER 118 -12.095  -2.346 -19.716
  917    HG   SER 118           HG       SER 118  -9.344  -2.870 -19.250
  918    H    SER 119           H        SER 119 -12.100  -4.816 -16.403
  919    HA   SER 119           HA       SER 119 -15.005  -4.919 -16.799
  920    HB2  SER 119           1HB      SER 119 -13.161  -6.679 -15.140
  921    HB3  SER 119           2HB      SER 119 -14.815  -7.052 -15.631
  922    HG   SER 119           HG       SER 119 -14.112  -7.138 -17.806
  923    H    CYS 120           H        CYS 120 -13.078  -3.258 -14.548
  924    HA   CYS 120           HA       CYS 120 -14.821  -3.724 -12.205
  925    HB2  CYS 120           1HB      CYS 120 -12.284  -2.098 -12.486
  926    HB3  CYS 120           2HB      CYS 120 -13.067  -2.582 -10.985
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  -8.214  -8.526  10.419
    2    H2   GLY   1           2H       GLY   1  -6.745  -8.988   9.838
    3    H3   GLY   1           3H       GLY   1  -6.913  -7.523  10.556
    4    HA2  GLY   1           1HA      GLY   1  -8.306  -6.715   8.803
    5    HA3  GLY   1           2HA      GLY   1  -6.747  -7.300   8.189
    6    H    LYS   2           H        LYS   2  -7.555  -7.682   6.137
    7    HA   LYS   2           HA       LYS   2  -8.929 -10.204   5.629
    8    HB2  LYS   2           1HB      LYS   2 -10.813  -9.246   4.451
    9    HB3  LYS   2           2HB      LYS   2 -10.807  -8.642   6.106
   10    HG2  LYS   2           1HG      LYS   2  -9.891  -6.491   5.394
   11    HG3  LYS   2           2HG      LYS   2  -9.712  -7.061   3.734
   12    HD2  LYS   2           1HD      LYS   2 -12.391  -6.841   5.159
   13    HD3  LYS   2           2HD      LYS   2 -11.686  -5.581   4.134
   14    HE2  LYS   2           1HE      LYS   2 -11.594  -7.161   2.218
   15    HE3  LYS   2           2HE      LYS   2 -12.365  -8.407   3.212
   16    HZ1  LYS   2           3HZ      LYS   2 -13.989  -7.236   1.851
   17    HZ2  LYS   2           1HZ      LYS   2 -14.297  -6.941   3.428
   18    HZ3  LYS   2           2HZ      LYS   2 -13.584  -5.793   2.504
   19    H    THR   3           H        THR   3  -9.212 -10.570   3.245
   20    HA   THR   3           HA       THR   3  -7.042  -9.286   1.648
   21    HB   THR   3           HB       THR   3  -8.102 -12.085   1.208
   22    HG1  THR   3           1HG      THR   3  -6.275 -12.747   2.345
   23   HG21  THR   3          3HG2      THR   3  -5.920 -12.320   0.011
   24   HG22  THR   3          1HG2      THR   3  -6.912 -11.048  -0.713
   25   HG23  THR   3          2HG2      THR   3  -5.558 -10.613   0.352
   26    H    PHE   4           H        PHE   4  -7.538  -8.364  -0.210
   27    HA   PHE   4           HA       PHE   4 -10.371  -8.279  -1.110
   28    HB2  PHE   4           1HB      PHE   4  -7.954  -6.527  -1.743
   29    HB3  PHE   4           2HB      PHE   4  -9.507  -6.315  -2.483
   30    HD1  PHE   4           1HD      PHE   4  -7.900  -6.359   0.950
   31    HD2  PHE   4           2HD      PHE   4 -11.131  -4.890  -1.526
   32    HE1  PHE   4           1HE      PHE   4  -8.753  -5.016   2.835
   33    HE2  PHE   4           2HE      PHE   4 -11.981  -3.584   0.381
   34    HZ   PHE   4           HZ       PHE   4 -10.811  -3.647   2.573
   35    H    THR   5           H        THR   5 -10.820  -8.237  -3.387
   36    HA   THR   5           HA       THR   5  -9.012  -9.844  -5.159
   37    HB   THR   5           HB       THR   5 -11.219 -10.889  -4.795
   38    HG1  THR   5           1HG      THR   5 -11.494 -11.205  -7.001
   39   HG21  THR   5          3HG2      THR   5 -13.233  -9.954  -5.784
   40   HG22  THR   5          1HG2      THR   5 -12.633  -8.812  -4.575
   41   HG23  THR   5          2HG2      THR   5 -12.372  -8.497  -6.308
   42    H    ARG   6           H        ARG   6  -8.966  -8.996  -7.453
   43    HA   ARG   6           HA       ARG   6  -8.052  -6.322  -7.361
   44    HB2  ARG   6           1HB      ARG   6  -7.389  -8.090  -9.004
   45    HB3  ARG   6           2HB      ARG   6  -8.902  -7.811  -9.875
   46    HG2  ARG   6           1HG      ARG   6  -8.257  -5.437 -10.244
   47    HG3  ARG   6           2HG      ARG   6  -6.770  -5.683  -9.314
   48    HD2  ARG   6           1HD      ARG   6  -7.512  -7.089 -11.911
   49    HD3  ARG   6           2HD      ARG   6  -6.396  -5.726 -11.762
   50    HE   ARG   6           HE       ARG   6  -5.159  -7.361 -10.088
   51   HH11  ARG   6          1HH1      ARG   6  -6.687  -8.450 -13.105
   52   HH12  ARG   6          2HH1      ARG   6  -5.583  -9.783 -13.264
   53   HH21  ARG   6          1HH2      ARG   6  -3.683  -8.904 -10.470
   54   HH22  ARG   6          2HH2      ARG   6  -3.900 -10.062 -11.769
   55    H    CYS   7           H        CYS   7 -11.182  -7.542  -8.611
   56    HA   CYS   7           HA       CYS   7 -12.260  -5.009  -9.390
   57    HB2  CYS   7           1HB      CYS   7 -13.724  -7.501  -8.446
   58    HB3  CYS   7           2HB      CYS   7 -14.421  -6.165  -9.358
   59    H    GLY   8           H        GLY   8 -11.970  -6.414  -6.195
   60    HA2  GLY   8           1HA      GLY   8 -13.772  -4.476  -4.886
   61    HA3  GLY   8           2HA      GLY   8 -12.690  -5.661  -4.104
   62    H    LEU   9           H        LEU   9 -10.210  -5.067  -5.087
   63    HA   LEU   9           HA       LEU   9  -9.450  -2.778  -3.609
   64    HB2  LEU   9           1HB      LEU   9  -8.048  -4.799  -4.067
   65    HB3  LEU   9           2HB      LEU   9  -7.920  -4.310  -5.761
   66    HG   LEU   9           HG       LEU   9  -6.827  -2.190  -5.038
   67   HD11  LEU   9          1HD1      LEU   9  -7.683  -1.904  -2.783
   68   HD12  LEU   9          2HD1      LEU   9  -6.979  -3.451  -2.272
   69   HD13  LEU   9          3HD1      LEU   9  -5.929  -2.070  -2.684
   70   HD21  LEU   9          3HD2      LEU   9  -4.669  -3.111  -4.585
   71   HD22  LEU   9          1HD2      LEU   9  -5.371  -4.602  -3.923
   72   HD23  LEU   9          2HD2      LEU   9  -5.509  -4.237  -5.660
   73    H    VAL  10           H        VAL  10  -9.732  -3.124  -7.195
   74    HA   VAL  10           HA       VAL  10  -8.917  -0.519  -7.933
   75    HB   VAL  10           HB       VAL  10 -11.077  -2.316  -9.105
   76   HG11  VAL  10          1HG1      VAL  10 -11.773  -0.160  -9.858
   77   HG12  VAL  10          2HG1      VAL  10 -10.114   0.376 -10.132
   78   HG13  VAL  10          3HG1      VAL  10 -10.844  -0.842 -11.193
   79   HG21  VAL  10          3HG2      VAL  10  -9.442  -2.730 -10.871
   80   HG22  VAL  10          1HG2      VAL  10  -8.305  -1.577 -10.144
   81   HG23  VAL  10          2HG2      VAL  10  -8.704  -3.088  -9.311
   82    H    HIS  11           H        HIS  11 -12.115  -1.593  -6.790
   83    HA   HIS  11           HA       HIS  11 -13.405   1.008  -6.939
   84    HB2  HIS  11           1HB      HIS  11 -14.097  -1.597  -5.532
   85    HB3  HIS  11           2HB      HIS  11 -15.087  -0.160  -5.419
   86    HD2  HIS  11           2HD      HIS  11 -13.735  -0.498  -8.932
   87    HE1  HIS  11           1HE      HIS  11 -17.654  -2.156  -9.008
   88    HE2  HIS  11           2HE      HIS  11 -15.727  -1.351 -10.446
   89    H    GLU  12           H        GLU  12 -11.912  -0.818  -4.245
   90    HA   GLU  12           HA       GLU  12 -12.560   0.987  -2.165
   91    HB2  GLU  12           1HB      GLU  12 -11.483  -1.470  -2.257
   92    HB3  GLU  12           2HB      GLU  12  -9.977  -0.584  -2.147
   93    HG2  GLU  12           1HG      GLU  12 -10.748  -1.336   0.030
   94    HG3  GLU  12           2HG      GLU  12 -10.752   0.435  -0.038
   95    H    LEU  13           H        LEU  13  -9.680   0.883  -4.297
   96    HA   LEU  13           HA       LEU  13  -8.419   3.218  -3.119
   97    HB2  LEU  13           1HB      LEU  13  -8.064   1.876  -5.810
   98    HB3  LEU  13           2HB      LEU  13  -6.942   3.032  -5.108
   99    HG   LEU  13           HG       LEU  13  -7.594   0.331  -3.907
  100   HD11  LEU  13          1HD1      LEU  13  -6.457   0.118  -6.043
  101   HD12  LEU  13          2HD1      LEU  13  -5.221   1.299  -5.535
  102   HD13  LEU  13          3HD1      LEU  13  -5.326  -0.285  -4.730
  103   HD21  LEU  13          3HD2      LEU  13  -5.671   0.653  -2.474
  104   HD22  LEU  13          1HD2      LEU  13  -5.375   2.263  -3.169
  105   HD23  LEU  13          2HD2      LEU  13  -6.833   1.955  -2.199
  106    H    ARG  14           H        ARG  14 -10.498   2.761  -5.995
  107    HA   ARG  14           HA       ARG  14 -10.510   5.465  -6.921
  108    HB2  ARG  14           1HB      ARG  14 -12.592   3.267  -7.006
  109    HB3  ARG  14           2HB      ARG  14 -12.955   4.879  -7.619
  110    HG2  ARG  14           1HG      ARG  14 -11.251   4.776  -9.293
  111    HG3  ARG  14           2HG      ARG  14 -10.579   3.281  -8.617
  112    HD2  ARG  14           1HD      ARG  14 -12.626   2.064  -9.106
  113    HD3  ARG  14           2HD      ARG  14 -13.403   3.544  -9.720
  114    HE   ARG  14           HE       ARG  14 -11.041   3.152 -11.201
  115   HH11  ARG  14          1HH1      ARG  14 -14.183   1.550 -10.811
  116   HH12  ARG  14          2HH1      ARG  14 -14.038   0.712 -12.344
  117   HH21  ARG  14          1HH2      ARG  14 -11.005   2.058 -13.229
  118   HH22  ARG  14          2HH2      ARG  14 -12.338   1.010 -13.643
  119    H    LYS  15           H        LYS  15 -12.521   3.955  -4.319
  120    HA   LYS  15           HA       LYS  15 -13.957   6.343  -3.633
  121    HB2  LYS  15           1HB      LYS  15 -14.750   4.070  -3.245
  122    HB3  LYS  15           2HB      LYS  15 -13.350   3.711  -2.240
  123    HG2  LYS  15           1HG      LYS  15 -15.260   4.027  -0.887
  124    HG3  LYS  15           2HG      LYS  15 -14.082   5.296  -0.552
  125    HD2  LYS  15           1HD      LYS  15 -15.421   6.890  -1.929
  126    HD3  LYS  15           2HD      LYS  15 -16.596   5.619  -2.278
  127    HE2  LYS  15           1HE      LYS  15 -15.890   6.636   0.516
  128    HE3  LYS  15           2HE      LYS  15 -17.234   7.255  -0.448
  129    HZ1  LYS  15           3HZ      LYS  15 -17.999   5.570   1.091
  130    HZ2  LYS  15           1HZ      LYS  15 -18.201   5.022  -0.433
  131    HZ3  LYS  15           2HZ      LYS  15 -16.974   4.451   0.490
  132    H    HIS  16           H        HIS  16 -10.856   4.984  -2.542
  133    HA   HIS  16           HA       HIS  16 -10.546   6.945  -0.411
  134    HB2  HIS  16           1HB      HIS  16  -8.772   4.713  -1.477
  135    HB3  HIS  16           2HB      HIS  16  -8.356   5.738  -0.105
  136    HD2  HIS  16           2HD      HIS  16  -8.393   3.022   0.833
  137    HE1  HIS  16           1HE      HIS  16 -12.469   3.297   1.971
  138    HE2  HIS  16           2HE      HIS  16 -10.341   2.010   2.333
  139    H    GLY  17           H        GLY  17 -10.067   7.371  -3.668
  140    HA2  GLY  17           1HA      GLY  17  -9.463   9.465  -4.559
  141    HA3  GLY  17           2HA      GLY  17  -8.485   9.829  -3.120
  142    H    PHE  18           H        PHE  18  -8.233   6.870  -5.123
  143    HA   PHE  18           HA       PHE  18  -5.454   7.602  -5.874
  144    HB2  PHE  18           1HB      PHE  18  -7.071   5.063  -6.019
  145    HB3  PHE  18           2HB      PHE  18  -5.534   5.240  -6.842
  146    HD1  PHE  18           2HD      PHE  18  -6.987   5.770  -3.379
  147    HD2  PHE  18           1HD      PHE  18  -3.583   4.627  -5.755
  148    HE1  PHE  18           2HE      PHE  18  -5.727   5.310  -1.336
  149    HE2  PHE  18           1HE      PHE  18  -2.341   4.038  -3.684
  150    HZ   PHE  18           HZ       PHE  18  -3.404   4.367  -1.472
  151    H    GLU  19           H        GLU  19  -4.709   7.647  -7.922
  152    HA   GLU  19           HA       GLU  19  -6.347   9.056  -9.791
  153    HB2  GLU  19           1HB      GLU  19  -3.567   7.852 -10.061
  154    HB3  GLU  19           2HB      GLU  19  -4.290   9.015 -11.153
  155    HG2  GLU  19           1HG      GLU  19  -2.726  10.144  -9.787
  156    HG3  GLU  19           2HG      GLU  19  -4.346  10.695  -9.359
  157    H    GLU  20           H        GLU  20  -7.687   8.211 -11.319
  158    HA   GLU  20           HA       GLU  20  -8.012   5.447 -11.707
  159    HB2  GLU  20           1HB      GLU  20  -9.604   6.003 -13.436
  160    HB3  GLU  20           2HB      GLU  20  -9.787   7.076 -12.052
  161    HG2  GLU  20           1HG      GLU  20  -8.520   8.854 -13.295
  162    HG3  GLU  20           2HG      GLU  20  -8.414   7.775 -14.688
  163    H    ASN  21           H        ASN  21  -5.881   7.630 -13.482
  164    HA   ASN  21           HA       ASN  21  -5.316   5.689 -15.594
  165    HB2  ASN  21           1HB      ASN  21  -3.807   7.314 -16.451
  166    HB3  ASN  21           2HB      ASN  21  -5.283   8.145 -15.987
  167   HD21  ASN  21          2HD2      ASN  21  -1.956   8.431 -15.896
  168   HD22  ASN  21          1HD2      ASN  21  -1.825   9.481 -14.496
  169    H    LEU  22           H        LEU  22  -4.183   6.119 -12.349
  170    HA   LEU  22           HA       LEU  22  -1.724   4.485 -12.877
  171    HB2  LEU  22           1HB      LEU  22  -2.580   5.939 -10.358
  172    HB3  LEU  22           2HB      LEU  22  -1.059   5.128 -10.627
  173    HG   LEU  22           HG       LEU  22  -2.003   7.692 -11.963
  174   HD11  LEU  22          1HD1      LEU  22  -1.243   7.820  -9.577
  175   HD12  LEU  22          2HD1      LEU  22   0.314   7.133 -10.056
  176   HD13  LEU  22          3HD1      LEU  22  -0.189   8.716 -10.690
  177   HD21  LEU  22          3HD2      LEU  22   0.254   7.812 -12.995
  178   HD22  LEU  22          1HD2      LEU  22   0.602   6.166 -12.432
  179   HD23  LEU  22          2HD2      LEU  22  -0.683   6.452 -13.622
  180    H    MET  23           H        MET  23  -4.953   4.037 -11.935
  181    HA   MET  23           HA       MET  23  -4.918   2.363  -9.760
  182    HB2  MET  23           1HB      MET  23  -6.862   3.289 -11.127
  183    HB3  MET  23           2HB      MET  23  -6.681   1.912 -12.187
  184    HG2  MET  23           1HG      MET  23  -8.451   1.550 -10.506
  185    HG3  MET  23           2HG      MET  23  -7.162   0.371 -10.305
  186    HE1  MET  23           3HE      MET  23  -8.130   3.977  -7.630
  187    HE2  MET  23           1HE      MET  23  -6.920   4.231  -8.911
  188    HE3  MET  23           2HE      MET  23  -8.570   3.729  -9.328
  189    H    ARG  24           H        ARG  24  -4.353   1.253 -13.128
  190    HA   ARG  24           HA       ARG  24  -3.938  -1.496 -12.672
  191    HB2  ARG  24           1HB      ARG  24  -2.468   0.329 -14.633
  192    HB3  ARG  24           2HB      ARG  24  -2.566  -1.435 -14.707
  193    HG2  ARG  24           1HG      ARG  24  -5.018  -1.297 -15.000
  194    HG3  ARG  24           2HG      ARG  24  -4.917   0.475 -14.960
  195    HD2  ARG  24           1HD      ARG  24  -5.050  -0.154 -17.249
  196    HD3  ARG  24           2HD      ARG  24  -3.393   0.399 -16.943
  197    HE   ARG  24           HE       ARG  24  -3.691  -2.469 -16.606
  198   HH11  ARG  24          1HH1      ARG  24  -3.423  -0.063 -19.189
  199   HH12  ARG  24          2HH1      ARG  24  -2.755  -1.208 -20.313
  200   HH21  ARG  24          1HH2      ARG  24  -2.712  -3.878 -18.087
  201   HH22  ARG  24          2HH2      ARG  24  -2.402  -3.335 -19.704
  202    H    ASN  25           H        ASN  25  -1.516   1.157 -12.533
  203    HA   ASN  25           HA       ASN  25   0.750  -0.414 -11.829
  204    HB2  ASN  25           1HB      ASN  25   0.278   2.480 -11.020
  205    HB3  ASN  25           2HB      ASN  25   1.800   1.652 -11.222
  206   HD21  ASN  25          2HD2      ASN  25   2.842   2.582 -12.959
  207   HD22  ASN  25          1HD2      ASN  25   2.059   2.962 -14.482
  208    H    TRP  26           H        TRP  26  -1.601   1.392  -9.805
  209    HA   TRP  26           HA       TRP  26  -0.418   0.782  -7.292
  210    HB2  TRP  26           1HB      TRP  26  -3.165   1.717  -8.175
  211    HB3  TRP  26           2HB      TRP  26  -2.814   1.370  -6.492
  212    HD1  TRP  26           HD       TRP  26  -2.839   4.196  -8.722
  213    HE1  TRP  26           1HE      TRP  26  -1.652   6.210  -7.650
  214    HE3  TRP  26           3HE      TRP  26  -0.236   1.727  -5.080
  215    HZ2  TRP  26           2HZ      TRP  26   0.162   6.677  -5.438
  216    HZ3  TRP  26           3HZ      TRP  26   1.179   2.968  -3.479
  217    HH2  TRP  26           HH       TRP  26   1.378   5.445  -3.633
  218    H    VAL  27           H        VAL  27  -3.255  -0.836  -8.896
  219    HA   VAL  27           HA       VAL  27  -3.486  -2.725  -6.751
  220    HB   VAL  27           HB       VAL  27  -4.904  -4.098  -8.036
  221   HG11  VAL  27          1HG1      VAL  27  -5.746  -1.906  -7.187
  222   HG12  VAL  27          2HG1      VAL  27  -5.546  -1.237  -8.817
  223   HG13  VAL  27          3HG1      VAL  27  -6.659  -2.581  -8.541
  224   HG21  VAL  27          3HG2      VAL  27  -5.419  -3.704 -10.437
  225   HG22  VAL  27          1HG2      VAL  27  -4.036  -2.594 -10.522
  226   HG23  VAL  27          2HG2      VAL  27  -3.784  -4.314 -10.150
  227    H    CYS  28           H        CYS  28  -1.493  -2.851  -9.726
  228    HA   CYS  28           HA       CYS  28  -0.650  -5.574  -9.301
  229    HB2  CYS  28           1HB      CYS  28  -0.623  -4.129 -11.399
  230    HB3  CYS  28           2HB      CYS  28   0.891  -3.448 -10.810
  231    H    LEU  29           H        LEU  29   0.852  -2.439  -8.398
  232    HA   LEU  29           HA       LEU  29   3.124  -3.398  -6.997
  233    HB2  LEU  29           1HB      LEU  29   2.718  -1.095  -7.618
  234    HB3  LEU  29           2HB      LEU  29   1.316  -0.969  -6.578
  235    HG   LEU  29           HG       LEU  29   4.122  -1.449  -5.495
  236   HD11  LEU  29          1HD1      LEU  29   4.015   0.646  -6.848
  237   HD12  LEU  29          2HD1      LEU  29   2.618   1.181  -5.888
  238   HD13  LEU  29          3HD1      LEU  29   4.209   0.985  -5.131
  239   HD21  LEU  29          3HD2      LEU  29   3.129  -0.335  -3.441
  240   HD22  LEU  29          1HD2      LEU  29   1.533  -0.455  -4.201
  241   HD23  LEU  29          2HD2      LEU  29   2.453  -1.917  -3.775
  242    H    VAL  30           H        VAL  30  -0.154  -2.696  -5.682
  243    HA   VAL  30           HA       VAL  30   0.355  -3.711  -3.082
  244    HB   VAL  30           HB       VAL  30  -2.185  -3.346  -4.686
  245   HG11  VAL  30          1HG1      VAL  30  -2.753  -5.150  -3.157
  246   HG12  VAL  30          2HG1      VAL  30  -1.994  -4.283  -1.805
  247   HG13  VAL  30          3HG1      VAL  30  -3.465  -3.650  -2.580
  248   HG21  VAL  30          3HG2      VAL  30  -2.527  -1.463  -3.143
  249   HG22  VAL  30          1HG2      VAL  30  -1.071  -1.912  -2.226
  250   HG23  VAL  30          2HG2      VAL  30  -0.928  -1.322  -3.891
  251    H    GLU  31           H        GLU  31  -0.900  -5.469  -5.965
  252    HA   GLU  31           HA       GLU  31  -1.297  -7.954  -4.630
  253    HB2  GLU  31           1HB      GLU  31  -0.828  -7.169  -7.526
  254    HB3  GLU  31           2HB      GLU  31  -0.982  -8.865  -7.067
  255    HG2  GLU  31           1HG      GLU  31  -3.181  -8.575  -6.211
  256    HG3  GLU  31           2HG      GLU  31  -3.106  -6.821  -6.335
  257    H    HIS  32           H        HIS  32   1.702  -6.495  -5.755
  258    HA   HIS  32           HA       HIS  32   3.177  -9.040  -5.261
  259    HB2  HIS  32           1HB      HIS  32   3.800  -6.464  -6.697
  260    HB3  HIS  32           2HB      HIS  32   5.076  -7.603  -6.240
  261    HD2  HIS  32           2HD      HIS  32   2.877  -6.915  -9.079
  262    HE1  HIS  32           1HE      HIS  32   3.688 -11.073  -9.448
  263    HE2  HIS  32           2HE      HIS  32   2.736  -9.028 -10.637
  264    H    GLU  33           H        GLU  33   2.517  -6.070  -3.615
  265    HA   GLU  33           HA       GLU  33   4.756  -6.442  -1.716
  266    HB2  GLU  33           1HB      GLU  33   2.499  -4.424  -1.878
  267    HB3  GLU  33           2HB      GLU  33   3.652  -4.489  -0.550
  268    HG2  GLU  33           1HG      GLU  33   4.412  -4.050  -3.456
  269    HG3  GLU  33           2HG      GLU  33   4.252  -2.799  -2.234
  270    H    SER  34           H        SER  34   1.117  -6.456  -1.372
  271    HA   SER  34           HA       SER  34   1.452  -8.209   1.046
  272    HB2  SER  34           1HB      SER  34  -0.818  -7.464   1.633
  273    HB3  SER  34           2HB      SER  34   0.278  -6.115   1.566
  274    HG   SER  34           HG       SER  34  -0.732  -5.325  -0.128
  275    H    SER  35           H        SER  35   0.270  -8.292  -2.178
  276    HA   SER  35           HA       SER  35  -1.066  -9.682  -3.364
  277    HB2  SER  35           1HB      SER  35  -1.320 -11.564  -1.004
  278    HB3  SER  35           2HB      SER  35  -1.713 -11.879  -2.692
  279    HG   SER  35           HG       SER  35   0.893 -11.281  -1.684
  280    H    ARG  36           H        ARG  36  -2.000  -7.455  -1.645
  281    HA   ARG  36           HA       ARG  36  -3.843  -6.315  -1.263
  282    HB2  ARG  36           1HB      ARG  36  -5.759  -8.455  -2.127
  283    HB3  ARG  36           2HB      ARG  36  -5.878  -6.693  -2.193
  284    HG2  ARG  36           1HG      ARG  36  -4.169  -6.760  -4.083
  285    HG3  ARG  36           2HG      ARG  36  -4.340  -8.520  -4.047
  286    HD2  ARG  36           1HD      ARG  36  -6.970  -7.887  -4.113
  287    HD3  ARG  36           2HD      ARG  36  -6.355  -6.431  -4.856
  288    HE   ARG  36           HE       ARG  36  -5.715  -7.623  -6.733
  289   HH11  ARG  36          1HH1      ARG  36  -6.695 -10.028  -4.289
  290   HH12  ARG  36          2HH1      ARG  36  -6.496 -11.334  -5.423
  291   HH21  ARG  36          1HH2      ARG  36  -5.501  -9.262  -8.047
  292   HH22  ARG  36          2HH2      ARG  36  -5.902 -10.912  -7.587
  293    H    ASP  37           H        ASP  37  -2.684  -7.893   0.770
  294    HA   ASP  37           HA       ASP  37  -5.024  -8.723   2.478
  295    HB2  ASP  37           1HB      ASP  37  -3.589 -10.609   1.889
  296    HB3  ASP  37           2HB      ASP  37  -2.174  -9.741   2.483
  297    H    THR  38           H        THR  38  -5.490  -7.258   4.010
  298    HA   THR  38           HA       THR  38  -3.575  -5.225   4.814
  299    HB   THR  38           HB       THR  38  -5.171  -4.517   6.511
  300    HG1  THR  38           1HG      THR  38  -7.090  -5.482   6.725
  301   HG21  THR  38          3HG2      THR  38  -7.038  -3.867   5.058
  302   HG22  THR  38          1HG2      THR  38  -5.477  -3.636   4.265
  303   HG23  THR  38          2HG2      THR  38  -6.511  -5.028   3.826
  304    H    SER  39           H        SER  39  -4.303  -8.455   6.026
  305    HA   SER  39           HA       SER  39  -3.288  -7.984   8.721
  306    HB2  SER  39           1HB      SER  39  -3.868 -10.558   7.211
  307    HB3  SER  39           2HB      SER  39  -3.551 -10.416   8.936
  308    HG   SER  39           HG       SER  39  -5.815 -10.548   8.276
  309    H    LYS  40           H        LYS  40  -1.607  -8.138   5.839
  310    HA   LYS  40           HA       LYS  40   0.345 -10.126   6.397
  311    HB2  LYS  40           1HB      LYS  40  -0.387  -9.157   4.148
  312    HB3  LYS  40           2HB      LYS  40   0.572  -7.745   4.520
  313    HG2  LYS  40           1HG      LYS  40   1.923  -9.128   3.122
  314    HG3  LYS  40           2HG      LYS  40   2.614  -9.262   4.717
  315    HD2  LYS  40           1HD      LYS  40   2.579 -11.438   3.642
  316    HD3  LYS  40           2HD      LYS  40   1.463 -11.478   5.008
  317    HE2  LYS  40           1HE      LYS  40  -0.445 -11.064   3.419
  318    HE3  LYS  40           2HE      LYS  40   0.699 -11.070   2.073
  319    HZ1  LYS  40           3HZ      LYS  40  -0.364 -13.218   2.343
  320    HZ2  LYS  40           1HZ      LYS  40   1.234 -13.382   2.648
  321    HZ3  LYS  40           2HZ      LYS  40   0.156 -13.359   3.882
  322    H    THR  41           H        THR  41   2.422 -10.071   7.050
  323    HA   THR  41           HA       THR  41   3.794  -7.727   8.128
  324    HB   THR  41           HB       THR  41   4.173  -8.946  10.345
  325    HG1  THR  41           1HG      THR  41   3.222 -10.925   9.671
  326   HG21  THR  41          3HG2      THR  41   2.210  -8.122  11.476
  327   HG22  THR  41          1HG2      THR  41   2.809  -6.936  10.320
  328   HG23  THR  41          2HG2      THR  41   1.360  -7.900   9.932
  329    H    ASN  42           H        ASN  42   5.911  -7.960   8.326
  330    HA   ASN  42           HA       ASN  42   7.279 -10.557   8.111
  331    HB2  ASN  42           1HB      ASN  42   7.411  -8.353   5.993
  332    HB3  ASN  42           2HB      ASN  42   8.663  -9.520   6.174
  333   HD21  ASN  42          2HD2      ASN  42   5.515  -8.946   4.906
  334   HD22  ASN  42          1HD2      ASN  42   5.312 -10.528   4.134
  335    H    THR  43           H        THR  43   9.078 -10.474   9.413
  336    HA   THR  43           HA       THR  43   9.964  -7.933  10.589
  337    HB   THR  43           HB       THR  43  11.050 -10.740  10.981
  338    HG1  THR  43           1HG      THR  43   9.604 -10.847  12.621
  339   HG21  THR  43          3HG2      THR  43  11.784  -9.806  13.187
  340   HG22  THR  43          1HG2      THR  43  12.608  -9.028  11.832
  341   HG23  THR  43          2HG2      THR  43  11.276  -8.187  12.656
  342    H    ASN  44           H        ASN  44  11.781  -6.853  10.235
  343    HA   ASN  44           HA       ASN  44  13.358  -7.485   7.791
  344    HB2  ASN  44           1HB      ASN  44  13.122  -4.939   9.432
  345    HB3  ASN  44           2HB      ASN  44  13.963  -5.091   7.895
  346   HD21  ASN  44          2HD2      ASN  44  11.600  -3.455   8.841
  347   HD22  ASN  44          1HD2      ASN  44  10.405  -3.701   7.566
  348    H    ARG  45           H        ARG  45  15.657  -7.037   7.783
  349    HA   ARG  45           HA       ARG  45  17.143  -8.236   9.909
  350    HB2  ARG  45           1HB      ARG  45  18.158  -6.447   7.657
  351    HB3  ARG  45           2HB      ARG  45  19.134  -7.533   8.659
  352    HG2  ARG  45           1HG      ARG  45  17.760  -9.467   7.819
  353    HG3  ARG  45           2HG      ARG  45  16.927  -8.345   6.724
  354    HD2  ARG  45           1HD      ARG  45  19.088  -7.766   5.661
  355    HD3  ARG  45           2HD      ARG  45  19.933  -8.888   6.728
  356    HE   ARG  45           HE       ARG  45  18.280  -9.516   4.389
  357   HH11  ARG  45          1HH1      ARG  45  19.722 -10.944   7.292
  358   HH12  ARG  45          2HH1      ARG  45  19.644 -12.555   6.643
  359   HH21  ARG  45          1HH2      ARG  45  18.206 -11.613   3.622
  360   HH22  ARG  45          2HH2      ARG  45  18.794 -12.925   4.598
  361    H    ASN  46           H        ASN  46  16.235  -4.923   9.377
  362    HA   ASN  46           HA       ASN  46  18.087  -3.733  11.280
  363    HB2  ASN  46           1HB      ASN  46  15.566  -2.634   9.964
  364    HB3  ASN  46           2HB      ASN  46  16.740  -1.683  10.872
  365   HD21  ASN  46          2HD2      ASN  46  18.887  -1.322   9.955
  366   HD22  ASN  46          1HD2      ASN  46  19.150  -1.583   8.240
  367    H    GLY  47           H        GLY  47  15.398  -5.664  11.899
  368    HA2  GLY  47           1HA      GLY  47  14.459  -6.186  13.967
  369    HA3  GLY  47           2HA      GLY  47  15.095  -4.679  14.671
  370    H    SER  48           H        SER  48  13.625  -3.714  11.879
  371    HA   SER  48           HA       SER  48  11.051  -2.952  13.094
  372    HB2  SER  48           1HB      SER  48  10.794  -1.826  10.844
  373    HB3  SER  48           2HB      SER  48  12.177  -1.296  11.815
  374    HG   SER  48           HG       SER  48  12.850  -1.633   9.679
  375    H    LYS  49           H        LYS  49   9.145  -3.180  11.430
  376    HA   LYS  49           HA       LYS  49   9.103  -5.810  10.064
  377    HB2  LYS  49           1HB      LYS  49   8.303  -5.899  12.538
  378    HB3  LYS  49           2HB      LYS  49   6.909  -4.978  11.978
  379    HG2  LYS  49           1HG      LYS  49   6.426  -6.874  10.356
  380    HG3  LYS  49           2HG      LYS  49   7.700  -7.787  11.169
  381    HD2  LYS  49           1HD      LYS  49   5.162  -6.683  12.427
  382    HD3  LYS  49           2HD      LYS  49   5.452  -8.368  12.016
  383    HE2  LYS  49           1HE      LYS  49   7.093  -6.802  14.042
  384    HE3  LYS  49           2HE      LYS  49   5.700  -7.793  14.459
  385    HZ1  LYS  49           3HZ      LYS  49   7.789  -9.008  14.729
  386    HZ2  LYS  49           1HZ      LYS  49   6.847  -9.733  13.613
  387    HZ3  LYS  49           2HZ      LYS  49   8.144  -8.864  13.138
  388    H    ASP  50           H        ASP  50   7.278  -6.015   8.584
  389    HA   ASP  50           HA       ASP  50   6.263  -3.431   7.531
  390    HB2  ASP  50           1HB      ASP  50   6.254  -4.393   5.522
  391    HB3  ASP  50           2HB      ASP  50   7.109  -5.759   6.212
  392    H    TYR  51           H        TYR  51   4.163  -2.885   7.379
  393    HA   TYR  51           HA       TYR  51   2.073  -4.628   8.575
  394    HB2  TYR  51           1HB      TYR  51   2.552  -1.700   9.255
  395    HB3  TYR  51           2HB      TYR  51   1.225  -2.698   9.846
  396    HD1  TYR  51           2HD      TYR  51   4.823  -1.937  10.054
  397    HD2  TYR  51           1HD      TYR  51   1.635  -4.353  11.641
  398    HE1  TYR  51           2HE      TYR  51   6.252  -2.529  11.960
  399    HE2  TYR  51           1HE      TYR  51   3.034  -4.888  13.635
  400    HH   TYR  51           HH       TYR  51   6.357  -3.588  14.033
  401    H    GLY  52           H        GLY  52   0.243  -4.657   7.431
  402    HA2  GLY  52           1HA      GLY  52  -1.595  -3.834   6.338
  403    HA3  GLY  52           2HA      GLY  52  -0.821  -2.253   6.169
  404    H    LEU  53           H        LEU  53  -2.133  -2.485   4.186
  405    HA   LEU  53           HA       LEU  53  -1.558  -4.455   2.255
  406    HB2  LEU  53           1HB      LEU  53  -3.575  -2.601   2.681
  407    HB3  LEU  53           2HB      LEU  53  -2.703  -1.805   1.383
  408    HG   LEU  53           HG       LEU  53  -2.839  -4.241   0.251
  409   HD11  LEU  53          1HD1      LEU  53  -3.869  -5.262   2.244
  410   HD12  LEU  53          2HD1      LEU  53  -5.258  -4.160   2.086
  411   HD13  LEU  53          3HD1      LEU  53  -4.954  -5.350   0.835
  412   HD21  LEU  53          3HD2      LEU  53  -4.941  -3.650  -0.800
  413   HD22  LEU  53          1HD2      LEU  53  -5.225  -2.385   0.432
  414   HD23  LEU  53          2HD2      LEU  53  -3.864  -2.231  -0.711
  415    H    PHE  54           H        PHE  54   0.102  -1.525   2.787
  416    HA   PHE  54           HA       PHE  54   1.590  -1.731   0.204
  417    HB2  PHE  54           1HB      PHE  54   1.172   0.670   2.024
  418    HB3  PHE  54           2HB      PHE  54   2.068   0.672   0.519
  419    HD1  PHE  54           2HD      PHE  54  -1.315   0.405   1.990
  420    HD2  PHE  54           1HD      PHE  54   0.963   0.829  -1.637
  421    HE1  PHE  54           2HE      PHE  54  -3.378   0.993   0.785
  422    HE2  PHE  54           1HE      PHE  54  -1.110   1.456  -2.850
  423    HZ   PHE  54           HZ       PHE  54  -3.290   1.528  -1.656
  424    H    GLN  55           H        GLN  55   1.973  -3.111   2.913
  425    HA   GLN  55           HA       GLN  55   3.589  -3.756   4.287
  426    HB2  GLN  55           1HB      GLN  55   4.804  -3.466   1.530
  427    HB3  GLN  55           2HB      GLN  55   5.918  -3.915   2.827
  428    HG2  GLN  55           1HG      GLN  55   4.893  -5.790   1.448
  429    HG3  GLN  55           2HG      GLN  55   4.898  -5.970   3.192
  430   HE21  GLN  55          2HE2      GLN  55   2.957  -6.320   4.194
  431   HE22  GLN  55          1HE2      GLN  55   1.406  -5.980   3.475
  432    H    ILE  56           H        ILE  56   3.082  -1.404   5.174
  433    HA   ILE  56           HA       ILE  56   5.214   0.558   4.861
  434    HB   ILE  56           HB       ILE  56   2.872   0.729   6.800
  435   HG12  ILE  56          1HG1      ILE  56   2.990   1.266   3.782
  436   HG13  ILE  56          2HG1      ILE  56   1.883   0.148   4.603
  437   HG21  ILE  56          1HG2      ILE  56   4.680   2.374   6.979
  438   HG22  ILE  56          2HG2      ILE  56   4.407   2.851   5.281
  439   HG23  ILE  56          3HG2      ILE  56   3.150   3.106   6.519
  440   HD11  ILE  56          3HD1      ILE  56   0.582   1.996   3.941
  441   HD12  ILE  56          1HD1      ILE  56   0.827   2.205   5.691
  442   HD13  ILE  56          2HD1      ILE  56   1.788   3.150   4.521
  443    H    ASN  57           H        ASN  57   6.869   1.017   6.274
  444    HA   ASN  57           HA       ASN  57   7.200  -0.936   8.479
  445    HB2  ASN  57           1HB      ASN  57   9.239   0.826   7.098
  446    HB3  ASN  57           2HB      ASN  57   9.586  -0.370   8.349
  447   HD21  ASN  57          2HD2      ASN  57   8.329  -2.626   7.733
  448   HD22  ASN  57          1HD2      ASN  57   8.719  -3.162   6.097
  449    H    ASP  58           H        ASP  58   7.501  -0.482  10.527
  450    HA   ASP  58           HA       ASP  58   6.784   2.010  11.671
  451    HB2  ASP  58           1HB      ASP  58   7.223   0.974  13.743
  452    HB3  ASP  58           2HB      ASP  58   6.552  -0.258  12.680
  453    H    ARG  59           H        ARG  59   9.731   1.167  10.251
  454    HA   ARG  59           HA       ARG  59  11.454   2.937  11.845
  455    HB2  ARG  59           1HB      ARG  59  12.099   0.729  10.754
  456    HB3  ARG  59           2HB      ARG  59  12.072   1.572   9.200
  457    HG2  ARG  59           1HG      ARG  59  13.842   3.109  10.006
  458    HG3  ARG  59           2HG      ARG  59  13.752   2.377  11.621
  459    HD2  ARG  59           1HD      ARG  59  14.442   0.187  10.614
  460    HD3  ARG  59           2HD      ARG  59  14.630   0.994   9.054
  461    HE   ARG  59           HE       ARG  59  16.124   1.727  11.551
  462   HH11  ARG  59          1HH1      ARG  59  16.239   1.357   8.012
  463   HH12  ARG  59          2HH1      ARG  59  17.930   1.747   7.958
  464   HH21  ARG  59          1HH2      ARG  59  18.292   2.218  11.375
  465   HH22  ARG  59          2HH2      ARG  59  19.064   2.247   9.820
  466    H    TYR  60           H        TYR  60   9.318   3.313   9.106
  467    HA   TYR  60           HA       TYR  60  10.743   5.826   8.248
  468    HB2  TYR  60           1HB      TYR  60   9.368   3.756   6.522
  469    HB3  TYR  60           2HB      TYR  60  10.206   5.185   5.948
  470    HD1  TYR  60           2HD      TYR  60  12.781   5.088   7.501
  471    HD2  TYR  60           1HD      TYR  60  10.512   1.938   5.619
  472    HE1  TYR  60           2HE      TYR  60  14.825   3.687   7.377
  473    HE2  TYR  60           1HE      TYR  60  12.548   0.532   5.504
  474    HH   TYR  60           HH       TYR  60  14.793   0.383   5.962
  475    H    TRP  61           H        TRP  61   7.480   4.320   8.468
  476    HA   TRP  61           HA       TRP  61   6.318   7.013   7.775
  477    HB2  TRP  61           1HB      TRP  61   5.524   4.341   6.647
  478    HB3  TRP  61           2HB      TRP  61   4.806   5.870   6.222
  479    HD1  TRP  61           HD       TRP  61   7.166   3.434   5.008
  480    HE1  TRP  61           1HE      TRP  61   8.653   4.346   3.128
  481    HE3  TRP  61           3HE      TRP  61   6.111   8.417   5.497
  482    HZ2  TRP  61           2HZ      TRP  61   9.215   6.905   1.908
  483    HZ3  TRP  61           3HZ      TRP  61   6.962  10.036   3.844
  484    HH2  TRP  61           HH       TRP  61   8.559   9.308   2.066
  485    H    CYS  62           H        CYS  62   5.497   3.780   9.201
  486    HA   CYS  62           HA       CYS  62   3.310   5.118  10.737
  487    HB2  CYS  62           1HB      CYS  62   2.660   2.738  11.256
  488    HB3  CYS  62           2HB      CYS  62   2.464   3.297   9.614
  489    H    SER  63           H        SER  63   2.953   4.310  12.953
  490    HA   SER  63           HA       SER  63   5.490   4.282  14.557
  491    HB2  SER  63           1HB      SER  63   4.072   6.308  14.796
  492    HB3  SER  63           2HB      SER  63   2.720   5.278  15.301
  493    HG   SER  63           HG       SER  63   3.684   5.919  17.167
  494    H    LYS  64           H        LYS  64   5.873   2.559  15.809
  495    HA   LYS  64           HA       LYS  64   3.879   0.382  16.024
  496    HB2  LYS  64           1HB      LYS  64   5.784  -0.890  16.964
  497    HB3  LYS  64           2HB      LYS  64   6.076  -0.281  15.344
  498    HG2  LYS  64           1HG      LYS  64   7.598   1.373  16.084
  499    HG3  LYS  64           2HG      LYS  64   7.022   1.320  17.757
  500    HD2  LYS  64           1HD      LYS  64   8.016  -0.782  18.179
  501    HD3  LYS  64           2HD      LYS  64   8.373  -1.058  16.450
  502    HE2  LYS  64           1HE      LYS  64   9.852   0.952  16.468
  503    HE3  LYS  64           2HE      LYS  64   9.562   1.139  18.205
  504    HZ1  LYS  64           3HZ      LYS  64  11.629  -0.058  17.776
  505    HZ2  LYS  64           1HZ      LYS  64  10.579  -1.066  18.521
  506    HZ3  LYS  64           2HZ      LYS  64  10.850  -1.205  16.911
  507    H    GLY  65           H        GLY  65   4.651   3.037  17.927
  508    HA2  GLY  65           1HA      GLY  65   4.612   1.769  20.573
  509    HA3  GLY  65           2HA      GLY  65   4.707   3.492  20.205
  510    H    ALA  66           H        ALA  66   3.205   3.721  22.002
  511    HA   ALA  66           HA       ALA  66   0.525   2.587  21.853
  512    HB1  ALA  66           1HB      ALA  66   1.758   2.924  23.976
  513    HB2  ALA  66           2HB      ALA  66   1.729   4.686  23.714
  514    HB3  ALA  66           3HB      ALA  66   0.215   3.793  23.971
  515    H    SER  67           H        SER  67   1.732   5.015  19.993
  516    HA   SER  67           HA       SER  67  -0.862   6.354  19.604
  517    HB2  SER  67           1HB      SER  67   0.190   7.466  21.588
  518    HB3  SER  67           2HB      SER  67   1.569   7.908  20.569
  519    HG   SER  67           HG       SER  67  -0.008   9.596  20.744
  520    HA   PRO  68           HA       PRO  68   1.029   6.814  15.496
  521    HB2  PRO  68           1HB      PRO  68  -0.640   8.671  14.375
  522    HB3  PRO  68           2HB      PRO  68  -1.125   6.969  14.645
  523    HG2  PRO  68           1HG      PRO  68  -1.697   9.367  16.409
  524    HG3  PRO  68           2HG      PRO  68  -2.848   8.120  15.824
  525    HD2  PRO  68           1HD      PRO  68  -1.733   7.971  18.283
  526    HD3  PRO  68           2HD      PRO  68  -1.986   6.497  17.307
  527    H    GLY  69           H        GLY  69   2.383   8.328  14.393
  528    HA2  GLY  69           1HA      GLY  69   2.762  11.029  14.755
  529    HA3  GLY  69           2HA      GLY  69   3.581  10.349  16.148
  530    H    LYS  70           H        LYS  70   3.581  10.801  12.773
  531    HA   LYS  70           HA       LYS  70   6.385  10.589  12.304
  532    HB2  LYS  70           1HB      LYS  70   4.645   8.215  11.523
  533    HB3  LYS  70           2HB      LYS  70   5.922   8.707  10.440
  534    HG2  LYS  70           1HG      LYS  70   7.240   8.638  12.906
  535    HG3  LYS  70           2HG      LYS  70   6.106   7.289  12.984
  536    HD2  LYS  70           1HD      LYS  70   7.030   6.352  10.910
  537    HD3  LYS  70           2HD      LYS  70   8.038   7.783  10.670
  538    HE2  LYS  70           1HE      LYS  70   9.368   5.926  11.529
  539    HE3  LYS  70           2HE      LYS  70   9.354   7.281  12.663
  540    HZ1  LYS  70           3HZ      LYS  70   8.992   5.029  13.669
  541    HZ2  LYS  70           1HZ      LYS  70   7.803   6.103  14.038
  542    HZ3  LYS  70           2HZ      LYS  70   7.562   4.933  12.898
  543    H    ASP  71           H        ASP  71   6.595  10.530   9.666
  544    HA   ASP  71           HA       ASP  71   5.503  12.929   8.676
  545    HB2  ASP  71           1HB      ASP  71   7.531  11.726   7.858
  546    HB3  ASP  71           2HB      ASP  71   6.488  10.523   7.094
  547    H    CYS  72           H        CYS  72   4.036   9.739   8.653
  548    HA   CYS  72           HA       CYS  72   1.710  10.737   7.051
  549    HB2  CYS  72           1HB      CYS  72   2.566   7.904   7.701
  550    HB3  CYS  72           2HB      CYS  72   1.205   8.376   6.692
  551    H    ASN  73           H        ASN  73   2.478  10.503  10.278
  552    HA   ASN  73           HA       ASN  73   1.307  10.299  12.227
  553    HB2  ASN  73           1HB      ASN  73  -0.579  11.868  10.433
  554    HB3  ASN  73           2HB      ASN  73  -0.756  11.757  12.183
  555   HD21  ASN  73          2HD2      ASN  73   0.595  13.680   9.777
  556   HD22  ASN  73          1HD2      ASN  73   1.791  14.488  10.774
  557    H    VAL  74           H        VAL  74   1.215   7.855  11.466
  558    HA   VAL  74           HA       VAL  74  -1.493   6.868  12.102
  559    HB   VAL  74           HB       VAL  74  -1.387   7.121   9.636
  560   HG11  VAL  74          1HG1      VAL  74   1.032   6.665   9.264
  561   HG12  VAL  74          2HG1      VAL  74   0.763   4.959   9.684
  562   HG13  VAL  74          3HG1      VAL  74  -0.014   5.654   8.255
  563   HG21  VAL  74          3HG2      VAL  74  -2.298   4.968   9.094
  564   HG22  VAL  74          1HG2      VAL  74  -1.525   4.217  10.503
  565   HG23  VAL  74          2HG2      VAL  74  -2.818   5.420  10.726
  566    H    LYS  75           H        LYS  75  -1.581   4.853  13.009
  567    HA   LYS  75           HA       LYS  75   0.964   3.863  14.156
  568    HB2  LYS  75           1HB      LYS  75  -1.179   4.639  15.421
  569    HB3  LYS  75           2HB      LYS  75  -1.827   3.056  14.991
  570    HG2  LYS  75           1HG      LYS  75   0.041   1.969  16.210
  571    HG3  LYS  75           2HG      LYS  75   0.780   3.552  16.483
  572    HD2  LYS  75           1HD      LYS  75  -0.216   3.013  18.504
  573    HD3  LYS  75           2HD      LYS  75  -1.263   4.229  17.821
  574    HE2  LYS  75           1HE      LYS  75  -1.876   1.269  17.451
  575    HE3  LYS  75           2HE      LYS  75  -2.164   2.035  19.010
  576    HZ1  LYS  75           3HZ      LYS  75  -4.160   2.127  17.733
  577    HZ2  LYS  75           1HZ      LYS  75  -3.613   3.654  17.879
  578    HZ3  LYS  75           2HZ      LYS  75  -3.461   2.842  16.457
  579    H    CYS  76           H        CYS  76   1.772   1.860  13.731
  580    HA   CYS  76           HA       CYS  76   1.273   0.322  11.479
  581    HB2  CYS  76           1HB      CYS  76   2.243  -0.643  14.204
  582    HB3  CYS  76           2HB      CYS  76   2.503  -1.456  12.667
  583    H    SER  77           H        SER  77  -0.312  -0.161  14.671
  584    HA   SER  77           HA       SER  77  -1.614  -2.632  13.972
  585    HB2  SER  77           1HB      SER  77  -1.150  -1.750  16.285
  586    HB3  SER  77           2HB      SER  77  -2.491  -0.611  16.059
  587    HG   SER  77           HG       SER  77  -3.121  -2.576  17.134
  588    H    ASP  78           H        ASP  78  -2.654   0.785  13.502
  589    HA   ASP  78           HA       ASP  78  -5.362   0.087  12.710
  590    HB2  ASP  78           1HB      ASP  78  -3.681   2.607  12.420
  591    HB3  ASP  78           2HB      ASP  78  -5.337   2.471  11.856
  592    H    LEU  79           H        LEU  79  -2.338  -0.292  11.145
  593    HA   LEU  79           HA       LEU  79  -3.433  -0.095   8.411
  594    HB2  LEU  79           1HB      LEU  79  -0.778  -1.311   9.261
  595    HB3  LEU  79           2HB      LEU  79  -1.270  -0.753   7.671
  596    HG   LEU  79           HG       LEU  79  -0.694   1.009  10.088
  597   HD11  LEU  79          1HD1      LEU  79   1.303   0.128   9.040
  598   HD12  LEU  79          2HD1      LEU  79   0.694   0.546   7.424
  599   HD13  LEU  79          3HD1      LEU  79   1.133   1.826   8.572
  600   HD21  LEU  79          3HD2      LEU  79  -0.971   2.908   8.469
  601   HD22  LEU  79          1HD2      LEU  79  -1.629   1.754   7.297
  602   HD23  LEU  79          2HD2      LEU  79  -2.493   2.074   8.818
  603    H    LEU  80           H        LEU  80  -3.469  -2.446  10.898
  604    HA   LEU  80           HA       LEU  80  -3.679  -4.740   9.039
  605    HB2  LEU  80           1HB      LEU  80  -3.600  -4.701  12.069
  606    HB3  LEU  80           2HB      LEU  80  -3.480  -6.119  11.032
  607    HG   LEU  80           HG       LEU  80  -1.431  -3.887  11.260
  608   HD11  LEU  80          1HD1      LEU  80  -1.532  -5.406  13.201
  609   HD12  LEU  80          2HD1      LEU  80  -1.390  -6.814  12.124
  610   HD13  LEU  80          3HD1      LEU  80  -0.042  -5.676  12.285
  611   HD21  LEU  80          3HD2      LEU  80   0.032  -5.333   9.852
  612   HD22  LEU  80          1HD2      LEU  80  -1.353  -6.402   9.540
  613   HD23  LEU  80          2HD2      LEU  80  -1.369  -4.716   8.970
  614    H    THR  81           H        THR  81  -5.841  -2.564   9.796
  615    HA   THR  81           HA       THR  81  -8.031  -4.200  10.869
  616    HB   THR  81           HB       THR  81  -7.488  -1.891  11.614
  617    HG1  THR  81           1HG      THR  81  -9.668  -1.403  11.823
  618   HG21  THR  81          3HG2      THR  81  -8.049   0.025  10.394
  619   HG22  THR  81          1HG2      THR  81  -7.197  -0.966   9.207
  620   HG23  THR  81          2HG2      THR  81  -8.967  -0.883   9.166
  621    H    ASP  82           H        ASP  82 -10.259  -3.413   9.722
  622    HA   ASP  82           HA       ASP  82 -10.205  -5.033   7.266
  623    HB2  ASP  82           1HB      ASP  82 -12.522  -5.314   7.576
  624    HB3  ASP  82           2HB      ASP  82 -11.769  -5.461   9.159
  625    H    ASP  83           H        ASP  83 -10.056  -1.778   7.784
  626    HA   ASP  83           HA       ASP  83 -10.953  -1.192   4.984
  627    HB2  ASP  83           1HB      ASP  83 -12.315  -0.011   6.733
  628    HB3  ASP  83           2HB      ASP  83 -10.854   0.846   7.228
  629    H    ILE  84           H        ILE  84  -9.382  -0.734   3.666
  630    HA   ILE  84           HA       ILE  84  -6.619  -0.745   4.476
  631    HB   ILE  84           HB       ILE  84  -6.099  -0.637   2.156
  632   HG12  ILE  84          1HG1      ILE  84  -8.967   0.256   1.612
  633   HG13  ILE  84          2HG1      ILE  84  -7.535   1.286   1.571
  634   HG21  ILE  84          1HG2      ILE  84  -7.268  -2.730   2.994
  635   HG22  ILE  84          2HG2      ILE  84  -8.756  -2.127   2.263
  636   HG23  ILE  84          3HG2      ILE  84  -7.356  -2.502   1.250
  637   HD11  ILE  84          3HD1      ILE  84  -8.157   0.736  -0.658
  638   HD12  ILE  84          1HD1      ILE  84  -6.582  -0.009  -0.262
  639   HD13  ILE  84          2HD1      ILE  84  -8.067  -1.001  -0.328
  640    H    THR  85           H        THR  85  -8.831   1.874   4.368
  641    HA   THR  85           HA       THR  85  -7.427   3.931   3.165
  642    HB   THR  85           HB       THR  85  -9.753   4.054   3.821
  643    HG1  THR  85           1HG      THR  85  -8.022   6.083   4.763
  644   HG21  THR  85          3HG2      THR  85 -10.458   4.709   6.024
  645   HG22  THR  85          1HG2      THR  85  -9.522   3.215   6.196
  646   HG23  THR  85          2HG2      THR  85  -8.787   4.776   6.620
  647    H    LYS  86           H        LYS  86  -6.850   2.806   6.466
  648    HA   LYS  86           HA       LYS  86  -5.213   5.040   7.270
  649    HB2  LYS  86           1HB      LYS  86  -5.126   2.139   8.194
  650    HB3  LYS  86           2HB      LYS  86  -4.492   3.528   9.075
  651    HG2  LYS  86           1HG      LYS  86  -7.439   2.978   8.473
  652    HG3  LYS  86           2HG      LYS  86  -6.625   2.736  10.007
  653    HD2  LYS  86           1HD      LYS  86  -6.135   5.188  10.132
  654    HD3  LYS  86           2HD      LYS  86  -7.059   5.420   8.628
  655    HE2  LYS  86           1HE      LYS  86  -9.065   4.426   9.706
  656    HE3  LYS  86           2HE      LYS  86  -8.152   4.193  11.202
  657    HZ1  LYS  86           3HZ      LYS  86  -9.474   6.220  11.282
  658    HZ2  LYS  86           1HZ      LYS  86  -7.889   6.609  11.342
  659    HZ3  LYS  86           2HZ      LYS  86  -8.735   6.827   9.958
  660    H    ALA  87           H        ALA  87  -4.526   2.130   5.419
  661    HA   ALA  87           HA       ALA  87  -1.616   2.691   5.271
  662    HB1  ALA  87           1HB      ALA  87  -2.614   0.341   5.519
  663    HB2  ALA  87           2HB      ALA  87  -3.257   0.523   3.869
  664    HB3  ALA  87           3HB      ALA  87  -1.501   0.559   4.167
  665    H    ALA  88           H        ALA  88  -4.531   2.794   3.207
  666    HA   ALA  88           HA       ALA  88  -3.156   3.439   0.811
  667    HB1  ALA  88           1HB      ALA  88  -5.489   2.444   1.139
  668    HB2  ALA  88           2HB      ALA  88  -6.055   4.109   1.444
  669    HB3  ALA  88           3HB      ALA  88  -5.317   3.668  -0.109
  670    H    LYS  89           H        LYS  89  -4.675   5.689   3.206
  671    HA   LYS  89           HA       LYS  89  -3.931   8.044   1.650
  672    HB2  LYS  89           1HB      LYS  89  -4.783   7.609   4.524
  673    HB3  LYS  89           2HB      LYS  89  -4.393   9.204   3.853
  674    HG2  LYS  89           1HG      LYS  89  -6.106   8.951   2.111
  675    HG3  LYS  89           2HG      LYS  89  -6.519   7.335   2.717
  676    HD2  LYS  89           1HD      LYS  89  -7.338   8.260   4.814
  677    HD3  LYS  89           2HD      LYS  89  -6.718   9.860   4.409
  678    HE2  LYS  89           1HE      LYS  89  -9.142   9.769   4.106
  679    HE3  LYS  89           2HE      LYS  89  -8.310  10.120   2.590
  680    HZ1  LYS  89           3HZ      LYS  89 -10.107   8.459   2.368
  681    HZ2  LYS  89           1HZ      LYS  89  -8.660   7.848   1.902
  682    HZ3  LYS  89           2HZ      LYS  89  -9.297   7.420   3.345
  683    H    CYS  90           H        CYS  90  -2.253   6.097   4.050
  684    HA   CYS  90           HA       CYS  90   0.056   7.871   4.326
  685    HB2  CYS  90           1HB      CYS  90  -0.477   6.221   6.006
  686    HB3  CYS  90           2HB      CYS  90  -0.351   4.904   4.842
  687    H    ALA  91           H        ALA  91  -0.760   5.138   2.127
  688    HA   ALA  91           HA       ALA  91   1.614   5.189   0.596
  689    HB1  ALA  91           1HB      ALA  91  -0.149   3.428   0.573
  690    HB2  ALA  91           2HB      ALA  91  -1.205   4.525  -0.328
  691    HB3  ALA  91           3HB      ALA  91   0.313   3.978  -1.054
  692    H    LYS  92           H        LYS  92  -1.395   7.232   0.093
  693    HA   LYS  92           HA       LYS  92  -0.311   8.646  -2.127
  694    HB2  LYS  92           1HB      LYS  92  -2.061   9.915  -0.004
  695    HB3  LYS  92           2HB      LYS  92  -1.881  10.386  -1.685
  696    HG2  LYS  92           1HG      LYS  92  -3.352   8.030  -0.531
  697    HG3  LYS  92           2HG      LYS  92  -3.996   9.363  -1.426
  698    HD2  LYS  92           1HD      LYS  92  -2.409   7.000  -2.464
  699    HD3  LYS  92           2HD      LYS  92  -4.086   7.382  -2.760
  700    HE2  LYS  92           1HE      LYS  92  -1.697   8.947  -3.847
  701    HE3  LYS  92           2HE      LYS  92  -2.685   7.795  -4.741
  702    HZ1  LYS  92           3HZ      LYS  92  -3.442   9.953  -5.270
  703    HZ2  LYS  92           1HZ      LYS  92  -4.611   9.303  -4.340
  704    HZ3  LYS  92           2HZ      LYS  92  -3.589  10.412  -3.699
  705    H    LYS  93           H        LYS  93   0.102   9.268   1.371
  706    HA   LYS  93           HA       LYS  93   1.692  11.635   1.056
  707    HB2  LYS  93           1HB      LYS  93   0.383  10.983   3.074
  708    HB3  LYS  93           2HB      LYS  93   1.524   9.689   3.392
  709    HG2  LYS  93           1HG      LYS  93   1.877  11.644   4.823
  710    HG3  LYS  93           2HG      LYS  93   3.310  11.299   3.852
  711    HD2  LYS  93           1HD      LYS  93   2.921  13.170   2.413
  712    HD3  LYS  93           2HD      LYS  93   1.240  13.337   2.965
  713    HE2  LYS  93           1HE      LYS  93   2.352  15.110   4.022
  714    HE3  LYS  93           2HE      LYS  93   2.157  13.883   5.280
  715    HZ1  LYS  93           3HZ      LYS  93   4.385  14.759   5.319
  716    HZ2  LYS  93           1HZ      LYS  93   4.482  13.204   4.831
  717    HZ3  LYS  93           2HZ      LYS  93   4.635  14.417   3.739
  718    H    ILE  94           H        ILE  94   2.600   8.259   0.870
  719    HA   ILE  94           HA       ILE  94   5.500   8.821   0.770
  720    HB   ILE  94           HB       ILE  94   3.868   6.368  -0.007
  721   HG12  ILE  94          1HG1      ILE  94   5.726   6.777   2.354
  722   HG13  ILE  94          2HG1      ILE  94   4.012   7.055   2.487
  723   HG21  ILE  94          1HG2      ILE  94   5.929   6.427  -1.325
  724   HG22  ILE  94          2HG2      ILE  94   6.882   6.832   0.113
  725   HG23  ILE  94          3HG2      ILE  94   6.123   5.229  -0.051
  726   HD11  ILE  94          3HD1      ILE  94   4.482   4.866   3.346
  727   HD12  ILE  94          1HD1      ILE  94   3.567   4.685   1.840
  728   HD13  ILE  94          2HD1      ILE  94   5.323   4.383   1.866
  729    H    TYR  95           H        TYR  95   2.930   8.174  -1.648
  730    HA   TYR  95           HA       TYR  95   4.472   8.400  -3.969
  731    HB2  TYR  95           1HB      TYR  95   2.452   7.493  -4.325
  732    HB3  TYR  95           2HB      TYR  95   1.600   8.578  -3.247
  733    HD1  TYR  95           2HD      TYR  95   1.155  11.002  -4.009
  734    HD2  TYR  95           1HD      TYR  95   2.189   7.763  -6.660
  735    HE1  TYR  95           2HE      TYR  95   0.202  12.267  -5.929
  736    HE2  TYR  95           1HE      TYR  95   1.272   9.034  -8.581
  737    HH   TYR  95           HH       TYR  95   0.252  10.979  -9.281
  738    H    LYS  96           H        LYS  96   3.332  11.013  -1.948
  739    HA   LYS  96           HA       LYS  96   3.843  13.283  -3.573
  740    HB2  LYS  96           1HB      LYS  96   4.163  12.663  -0.614
  741    HB3  LYS  96           2HB      LYS  96   4.477  14.277  -1.233
  742    HG2  LYS  96           1HG      LYS  96   1.798  12.868  -1.575
  743    HG3  LYS  96           2HG      LYS  96   2.193  13.954  -0.241
  744    HD2  LYS  96           1HD      LYS  96   2.625  15.788  -1.872
  745    HD3  LYS  96           2HD      LYS  96   2.156  14.704  -3.200
  746    HE2  LYS  96           1HE      LYS  96  -0.085  14.408  -2.174
  747    HE3  LYS  96           2HE      LYS  96   0.377  15.476  -0.842
  748    HZ1  LYS  96           3HZ      LYS  96  -0.875  16.670  -2.537
  749    HZ2  LYS  96           1HZ      LYS  96   0.640  17.274  -2.461
  750    HZ3  LYS  96           2HZ      LYS  96   0.211  16.288  -3.695
  751    H    ARG  97           H        ARG  97   6.180  11.085  -2.137
  752    HA   ARG  97           HA       ARG  97   8.468  12.810  -3.044
  753    HB2  ARG  97           1HB      ARG  97   8.376  10.753  -0.857
  754    HB3  ARG  97           2HB      ARG  97   9.830  11.542  -1.496
  755    HG2  ARG  97           1HG      ARG  97   8.691  13.805  -0.975
  756    HG3  ARG  97           2HG      ARG  97   7.488  12.860  -0.062
  757    HD2  ARG  97           1HD      ARG  97   9.492  11.761   1.077
  758    HD3  ARG  97           2HD      ARG  97  10.499  13.008   0.360
  759    HE   ARG  97           HE       ARG  97   9.724  14.568   1.870
  760   HH11  ARG  97          1HH1      ARG  97   7.496  11.829   2.085
  761   HH12  ARG  97          2HH1      ARG  97   6.921  12.307   3.664
  762   HH21  ARG  97          1HH2      ARG  97   8.902  15.143   3.879
  763   HH22  ARG  97          2HH2      ARG  97   7.721  14.127   4.667
  764    H    HIS  98           H        HIS  98   7.177   9.485  -2.980
  765    HA   HIS  98           HA       HIS  98   8.795   8.743  -5.383
  766    HB2  HIS  98           1HB      HIS  98   8.631   7.201  -2.764
  767    HB3  HIS  98           2HB      HIS  98   9.358   6.598  -4.253
  768    HD2  HIS  98           2HD      HIS  98  10.154   8.552  -1.163
  769    HE1  HIS  98           1HE      HIS  98  13.520   9.100  -3.712
  770    HE2  HIS  98           2HE      HIS  98  12.634   9.420  -1.345
  771    H    ARG  99           H        ARG  99   6.950   8.743  -6.689
  772    HA   ARG  99           HA       ARG  99   4.403   8.011  -6.085
  773    HB2  ARG  99           1HB      ARG  99   3.907   7.811  -8.364
  774    HB3  ARG  99           2HB      ARG  99   4.840   9.245  -7.937
  775    HG2  ARG  99           1HG      ARG  99   6.893   8.197  -8.894
  776    HG3  ARG  99           2HG      ARG  99   5.936   6.745  -9.320
  777    HD2  ARG  99           1HD      ARG  99   4.357   8.173 -10.546
  778    HD3  ARG  99           2HD      ARG  99   5.339   9.594 -10.160
  779    HE   ARG  99           HE       ARG  99   7.060   7.738 -11.415
  780   HH11  ARG  99          1HH1      ARG  99   4.237   9.628 -12.405
  781   HH12  ARG  99          2HH1      ARG  99   4.725   9.653 -14.072
  782   HH21  ARG  99          1HH2      ARG  99   7.632   7.812 -13.582
  783   HH22  ARG  99          2HH2      ARG  99   6.623   8.642 -14.726
  784    H    PHE 100           H        PHE 100   6.835   5.750  -7.337
  785    HA   PHE 100           HA       PHE 100   5.261   3.453  -6.280
  786    HB2  PHE 100           1HB      PHE 100   6.542   3.473  -9.025
  787    HB3  PHE 100           2HB      PHE 100   5.631   2.175  -8.260
  788    HD1  PHE 100           1HD      PHE 100   3.160   2.913  -7.439
  789    HD2  PHE 100           2HD      PHE 100   5.388   4.649 -10.701
  790    HE1  PHE 100           1HE      PHE 100   1.054   3.687  -8.461
  791    HE2  PHE 100           2HE      PHE 100   3.268   5.425 -11.727
  792    HZ   PHE 100           HZ       PHE 100   1.104   4.940 -10.611
  793    H    ASP 101           H        ASP 101   8.363   4.954  -6.829
  794    HA   ASP 101           HA       ASP 101   9.982   2.617  -6.844
  795    HB2  ASP 101           1HB      ASP 101  10.512   4.858  -7.829
  796    HB3  ASP 101           2HB      ASP 101  10.750   5.486  -6.198
  797    H    ALA 102           H        ALA 102   8.445   4.087  -4.179
  798    HA   ALA 102           HA       ALA 102  10.326   3.295  -2.097
  799    HB1  ALA 102           1HB      ALA 102   8.733   5.126  -1.754
  800    HB2  ALA 102           2HB      ALA 102   7.364   4.020  -2.009
  801    HB3  ALA 102           3HB      ALA 102   8.422   3.825  -0.599
  802    H    TRP 103           H        TRP 103   8.369   1.452  -4.148
  803    HA   TRP 103           HA       TRP 103   8.255  -0.849  -2.232
  804    HB2  TRP 103           1HB      TRP 103   6.317  -0.019  -4.423
  805    HB3  TRP 103           2HB      TRP 103   6.210  -1.504  -3.492
  806    HD1  TRP 103           HD       TRP 103   5.634  -1.284  -0.872
  807    HE1  TRP 103           1HE      TRP 103   4.245   0.405   0.414
  808    HE3  TRP 103           3HE      TRP 103   5.788   2.583  -4.215
  809    HZ2  TRP 103           2HZ      TRP 103   3.124   3.055  -0.041
  810    HZ3  TRP 103           3HZ      TRP 103   4.548   4.677  -3.773
  811    HH2  TRP 103           HH       TRP 103   3.163   4.907  -1.721
  812    H    TYR 104           H        TYR 104   9.221  -2.652  -2.791
  813    HA   TYR 104           HA       TYR 104  10.913  -2.584  -5.135
  814    HB2  TYR 104           1HB      TYR 104  11.451  -3.418  -2.760
  815    HB3  TYR 104           2HB      TYR 104  10.627  -4.906  -3.216
  816    HD1  TYR 104           2HD      TYR 104  13.509  -2.696  -3.801
  817    HD2  TYR 104           1HD      TYR 104  11.631  -6.399  -4.936
  818    HE1  TYR 104           2HE      TYR 104  15.614  -3.405  -4.949
  819    HE2  TYR 104           1HE      TYR 104  13.713  -7.109  -6.108
  820    HH   TYR 104           HH       TYR 104  15.877  -6.544  -6.674
  821    H    GLY 105           H        GLY 105   7.976  -4.416  -4.289
  822    HA2  GLY 105           1HA      GLY 105   8.103  -6.373  -6.376
  823    HA3  GLY 105           2HA      GLY 105   6.635  -5.820  -5.531
  824    H    TRP 106           H        TRP 106   7.035  -2.988  -6.410
  825    HA   TRP 106           HA       TRP 106   5.763  -3.075  -8.981
  826    HB2  TRP 106           1HB      TRP 106   5.306  -1.261  -7.523
  827    HB3  TRP 106           2HB      TRP 106   7.007  -0.812  -7.418
  828    HD1  TRP 106           HD       TRP 106   4.050  -0.732  -9.869
  829    HE1  TRP 106           1HE      TRP 106   4.539   0.947 -11.746
  830    HE3  TRP 106           3HE      TRP 106   8.837   0.520  -8.587
  831    HZ2  TRP 106           2HZ      TRP 106   6.776   2.578 -12.627
  832    HZ3  TRP 106           3HZ      TRP 106  10.142   2.101  -9.962
  833    HH2  TRP 106           HH       TRP 106   9.123   3.147 -11.987
  834    H    LYS 107           H        LYS 107   9.106  -1.996  -8.105
  835    HA   LYS 107           HA       LYS 107   9.886  -1.833 -10.882
  836    HB2  LYS 107           1HB      LYS 107  12.161  -1.477 -10.024
  837    HB3  LYS 107           2HB      LYS 107  10.964  -0.400  -9.319
  838    HG2  LYS 107           1HG      LYS 107  10.886  -1.740  -7.272
  839    HG3  LYS 107           2HG      LYS 107  12.064  -2.885  -7.932
  840    HD2  LYS 107           1HD      LYS 107  12.504   0.068  -7.320
  841    HD3  LYS 107           2HD      LYS 107  13.076  -1.275  -6.341
  842    HE2  LYS 107           1HE      LYS 107  13.971  -0.652  -9.197
  843    HE3  LYS 107           2HE      LYS 107  14.853  -0.231  -7.732
  844    HZ1  LYS 107           3HZ      LYS 107  15.722  -2.260  -8.678
  845    HZ2  LYS 107           1HZ      LYS 107  15.049  -2.609  -7.232
  846    HZ3  LYS 107           2HZ      LYS 107  14.270  -3.004  -8.618
  847    H    ASN 108           H        ASN 108   9.779  -4.571  -8.739
  848    HA   ASN 108           HA       ASN 108  11.595  -6.138 -10.437
  849    HB2  ASN 108           1HB      ASN 108  11.567  -6.196  -7.920
  850    HB3  ASN 108           2HB      ASN 108  10.022  -7.049  -8.011
  851   HD21  ASN 108          2HD2      ASN 108  13.459  -7.195  -9.160
  852   HD22  ASN 108          1HD2      ASN 108  13.523  -8.947  -9.171
  853    H    HIS 109           H        HIS 109   8.045  -5.937  -9.995
  854    HA   HIS 109           HA       HIS 109   7.735  -8.088 -12.077
  855    HB2  HIS 109           1HB      HIS 109   5.953  -7.469  -9.701
  856    HB3  HIS 109           2HB      HIS 109   5.711  -8.742 -10.888
  857    HD2  HIS 109           2HD      HIS 109   7.212  -8.174  -7.564
  858    HE1  HIS 109           1HE      HIS 109   8.905 -11.842  -8.903
  859    HE2  HIS 109           2HE      HIS 109   8.582 -10.319  -6.888
  860    H    CYS 110           H        CYS 110   6.864  -4.789 -11.418
  861    HA   CYS 110           HA       CYS 110   4.455  -4.949 -13.200
  862    HB2  CYS 110           1HB      CYS 110   5.212  -2.792 -11.218
  863    HB3  CYS 110           2HB      CYS 110   3.660  -3.035 -11.998
  864    H    GLN 111           H        GLN 111   7.597  -4.112 -13.613
  865    HA   GLN 111           HA       GLN 111   7.345  -1.444 -14.684
  866    HB2  GLN 111           1HB      GLN 111   9.659  -1.517 -15.060
  867    HB3  GLN 111           2HB      GLN 111   9.373  -2.354 -13.545
  868    HG2  GLN 111           1HG      GLN 111  10.021  -3.637 -16.245
  869    HG3  GLN 111           2HG      GLN 111  11.111  -3.449 -14.884
  870   HE21  GLN 111          2HE2      GLN 111  10.770  -4.808 -12.940
  871   HE22  GLN 111          1HE2      GLN 111   9.874  -6.315 -13.148
  872    H    GLY 112           H        GLY 112   7.389  -4.638 -16.253
  873    HA2  GLY 112           1HA      GLY 112   7.399  -3.420 -18.963
  874    HA3  GLY 112           2HA      GLY 112   7.564  -5.136 -18.531
  875    H    SER 113           H        SER 113   5.099  -4.962 -16.794
  876    HA   SER 113           HA       SER 113   2.898  -4.798 -18.775
  877    HB2  SER 113           1HB      SER 113   3.819  -7.391 -17.464
  878    HB3  SER 113           2HB      SER 113   2.275  -7.172 -18.296
  879    HG   SER 113           HG       SER 113   3.883  -8.118 -19.656
  880    H    LEU 114           H        LEU 114   0.949  -4.402 -17.824
  881    HA   LEU 114           HA       LEU 114   0.632  -4.745 -14.880
  882    HB2  LEU 114           1HB      LEU 114  -0.236  -2.500 -16.754
  883    HB3  LEU 114           2HB      LEU 114  -0.802  -2.655 -15.101
  884    HG   LEU 114           HG       LEU 114   2.138  -2.312 -15.837
  885   HD11  LEU 114          1HD1      LEU 114   0.794  -0.385 -16.515
  886   HD12  LEU 114          2HD1      LEU 114   0.082  -0.281 -14.886
  887   HD13  LEU 114          3HD1      LEU 114   1.823   0.017 -15.126
  888   HD21  LEU 114          3HD2      LEU 114   2.307  -1.671 -13.403
  889   HD22  LEU 114          1HD2      LEU 114   0.633  -2.225 -13.182
  890   HD23  LEU 114          2HD2      LEU 114   1.900  -3.374 -13.652
  891    HA   PRO 115           HA       PRO 115  -3.036  -7.030 -15.795
  892    HB2  PRO 115           1HB      PRO 115  -4.617  -6.572 -13.618
  893    HB3  PRO 115           2HB      PRO 115  -3.092  -7.514 -13.531
  894    HG2  PRO 115           1HG      PRO 115  -3.510  -4.572 -12.887
  895    HG3  PRO 115           2HG      PRO 115  -2.695  -5.822 -11.885
  896    HD2  PRO 115           1HD      PRO 115  -1.270  -4.167 -13.486
  897    HD3  PRO 115           2HD      PRO 115  -0.831  -5.901 -13.338
  898    H    ASP 116           H        ASP 116  -5.225  -6.894 -16.435
  899    HA   ASP 116           HA       ASP 116  -6.209  -4.279 -17.319
  900    HB2  ASP 116           1HB      ASP 116  -6.450  -6.205 -18.777
  901    HB3  ASP 116           2HB      ASP 116  -7.317  -7.096 -17.523
  902    H    ILE 117           H        ILE 117  -7.918  -3.239 -16.597
  903    HA   ILE 117           HA       ILE 117  -9.411  -4.083 -14.141
  904    HB   ILE 117           HB       ILE 117  -9.237  -1.796 -13.272
  905   HG12  ILE 117          1HG1      ILE 117  -7.222  -1.244 -15.504
  906   HG13  ILE 117          2HG1      ILE 117  -8.896  -0.702 -15.544
  907   HG21  ILE 117          1HG2      ILE 117  -7.608  -3.550 -12.557
  908   HG22  ILE 117          2HG2      ILE 117  -6.451  -2.937 -13.757
  909   HG23  ILE 117          3HG2      ILE 117  -6.974  -1.908 -12.411
  910   HD11  ILE 117          3HD1      ILE 117  -7.516   1.093 -14.811
  911   HD12  ILE 117          1HD1      ILE 117  -8.565   0.572 -13.473
  912   HD13  ILE 117          2HD1      ILE 117  -6.840   0.106 -13.496
  913    H    SER 118           H        SER 118  -9.704  -3.226 -17.334
  914    HA   SER 118           HA       SER 118 -11.717  -1.204 -17.255
  915    HB2  SER 118           1HB      SER 118 -12.071  -1.700 -19.616
  916    HB3  SER 118           2HB      SER 118 -10.355  -1.578 -19.219
  917    HG   SER 118           HG       SER 118 -10.167  -3.812 -19.324
  918    H    SER 119           H        SER 119 -12.127  -4.561 -16.560
  919    HA   SER 119           HA       SER 119 -15.030  -4.593 -16.970
  920    HB2  SER 119           1HB      SER 119 -13.178  -6.466 -15.450
  921    HB3  SER 119           2HB      SER 119 -14.882  -6.760 -15.818
  922    HG   SER 119           HG       SER 119 -13.482  -7.787 -17.337
  923    H    CYS 120           H        CYS 120 -13.076  -3.098 -14.608
  924    HA   CYS 120           HA       CYS 120 -14.872  -3.600 -12.319
  925    HB2  CYS 120           1HB      CYS 120 -12.328  -1.971 -12.506
  926    HB3  CYS 120           2HB      CYS 120 -13.143  -2.486 -11.035
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  -9.246  -7.463  10.242
    2    H2   GLY   1           2H       GLY   1  -8.048  -8.574  10.455
    3    H3   GLY   1           3H       GLY   1  -7.744  -6.977  10.722
    4    HA2  GLY   1           1HA      GLY   1  -8.143  -6.463   8.418
    5    HA3  GLY   1           2HA      GLY   1  -6.787  -7.577   8.635
    6    H    LYS   2           H        LYS   2  -7.874  -7.469   6.224
    7    HA   LYS   2           HA       LYS   2  -9.229 -10.024   5.747
    8    HB2  LYS   2           1HB      LYS   2 -11.178  -9.046   4.686
    9    HB3  LYS   2           2HB      LYS   2 -11.080  -8.482   6.354
   10    HG2  LYS   2           1HG      LYS   2 -10.112  -6.324   5.584
   11    HG3  LYS   2           2HG      LYS   2 -10.201  -6.876   3.909
   12    HD2  LYS   2           1HD      LYS   2 -12.610  -6.542   5.738
   13    HD3  LYS   2           2HD      LYS   2 -12.031  -5.332   4.583
   14    HE2  LYS   2           1HE      LYS   2 -12.339  -6.943   2.716
   15    HE3  LYS   2           2HE      LYS   2 -12.970  -8.141   3.854
   16    HZ1  LYS   2           3HZ      LYS   2 -14.760  -6.928   2.766
   17    HZ2  LYS   2           1HZ      LYS   2 -14.785  -6.605   4.366
   18    HZ3  LYS   2           2HZ      LYS   2 -14.201  -5.494   3.315
   19    H    THR   3           H        THR   3  -9.522 -10.486   3.456
   20    HA   THR   3           HA       THR   3  -7.427  -9.225   1.752
   21    HB   THR   3           HB       THR   3  -8.646 -11.961   1.314
   22    HG1  THR   3           1HG      THR   3  -6.853 -12.744   2.424
   23   HG21  THR   3          3HG2      THR   3  -6.465 -12.284   0.104
   24   HG22  THR   3          1HG2      THR   3  -7.430 -10.981  -0.606
   25   HG23  THR   3          2HG2      THR   3  -6.054 -10.587   0.444
   26    H    PHE   4           H        PHE   4  -7.909  -8.294  -0.076
   27    HA   PHE   4           HA       PHE   4 -10.738  -8.100  -0.980
   28    HB2  PHE   4           1HB      PHE   4  -8.265  -6.406  -1.492
   29    HB3  PHE   4           2HB      PHE   4  -9.778  -6.135  -2.308
   30    HD1  PHE   4           1HD      PHE   4  -8.237  -6.228   1.128
   31    HD2  PHE   4           2HD      PHE   4 -11.471  -4.766  -1.332
   32    HE1  PHE   4           1HE      PHE   4  -9.082  -4.881   3.024
   33    HE2  PHE   4           2HE      PHE   4 -12.310  -3.431   0.570
   34    HZ   PHE   4           HZ       PHE   4 -11.132  -3.498   2.762
   35    H    THR   5           H        THR   5 -11.195  -8.179  -3.203
   36    HA   THR   5           HA       THR   5  -9.430  -9.897  -4.908
   37    HB   THR   5           HB       THR   5 -11.744 -10.702  -4.601
   38    HG1  THR   5           1HG      THR   5 -11.936 -11.092  -6.805
   39   HG21  THR   5          3HG2      THR   5 -13.607  -9.626  -5.709
   40   HG22  THR   5          1HG2      THR   5 -12.934  -8.465  -4.557
   41   HG23  THR   5          2HG2      THR   5 -12.583  -8.306  -6.296
   42    H    ARG   6           H        ARG   6  -9.235  -9.126  -7.235
   43    HA   ARG   6           HA       ARG   6  -8.061  -6.553  -7.198
   44    HB2  ARG   6           1HB      ARG   6  -7.520  -8.384  -8.791
   45    HB3  ARG   6           2HB      ARG   6  -9.010  -8.039  -9.677
   46    HG2  ARG   6           1HG      ARG   6  -8.225  -5.738 -10.142
   47    HG3  ARG   6           2HG      ARG   6  -6.773  -6.008  -9.166
   48    HD2  ARG   6           1HD      ARG   6  -7.509  -7.528 -11.699
   49    HD3  ARG   6           2HD      ARG   6  -6.377  -6.172 -11.613
   50    HE   ARG   6           HE       ARG   6  -5.162  -7.696  -9.844
   51   HH11  ARG   6          1HH1      ARG   6  -6.735  -9.046 -12.728
   52   HH12  ARG   6          2HH1      ARG   6  -5.610 -10.368 -12.804
   53   HH21  ARG   6          1HH2      ARG   6  -3.678  -9.251 -10.119
   54   HH22  ARG   6          2HH2      ARG   6  -3.906 -10.511 -11.315
   55    H    CYS   7           H        CYS   7 -11.273  -7.474  -8.549
   56    HA   CYS   7           HA       CYS   7 -12.066  -4.860  -9.369
   57    HB2  CYS   7           1HB      CYS   7 -13.820  -7.128  -8.350
   58    HB3  CYS   7           2HB      CYS   7 -14.347  -5.749  -9.313
   59    H    GLY   8           H        GLY   8 -12.314  -6.397  -6.171
   60    HA2  GLY   8           1HA      GLY   8 -13.845  -4.286  -4.904
   61    HA3  GLY   8           2HA      GLY   8 -12.892  -5.555  -4.091
   62    H    LEU   9           H        LEU   9 -10.324  -5.058  -5.003
   63    HA   LEU   9           HA       LEU   9  -9.427  -2.804  -3.514
   64    HB2  LEU   9           1HB      LEU   9  -8.141  -4.890  -3.974
   65    HB3  LEU   9           2HB      LEU   9  -8.062  -4.471  -5.686
   66    HG   LEU   9           HG       LEU   9  -6.791  -2.423  -5.131
   67   HD11  LEU   9          1HD1      LEU   9  -7.573  -1.897  -2.903
   68   HD12  LEU   9          2HD1      LEU   9  -7.021  -3.463  -2.284
   69   HD13  LEU   9          3HD1      LEU   9  -5.841  -2.220  -2.793
   70   HD21  LEU   9          3HD2      LEU   9  -4.701  -3.506  -4.639
   71   HD22  LEU   9          1HD2      LEU   9  -5.529  -4.884  -3.876
   72   HD23  LEU   9          2HD2      LEU   9  -5.660  -4.611  -5.631
   73    H    VAL  10           H        VAL  10  -9.687  -3.195  -7.097
   74    HA   VAL  10           HA       VAL  10  -8.868  -0.609  -7.865
   75    HB   VAL  10           HB       VAL  10 -10.983  -2.452  -9.042
   76   HG11  VAL  10          1HG1      VAL  10 -11.725  -0.340  -9.845
   77   HG12  VAL  10          2HG1      VAL  10 -10.078   0.250 -10.085
   78   HG13  VAL  10          3HG1      VAL  10 -10.737  -1.001 -11.149
   79   HG21  VAL  10          3HG2      VAL  10  -9.307  -2.845 -10.779
   80   HG22  VAL  10          1HG2      VAL  10  -8.207  -1.672 -10.031
   81   HG23  VAL  10          2HG2      VAL  10  -8.601  -3.182  -9.199
   82    H    HIS  11           H        HIS  11 -12.124  -1.653  -6.801
   83    HA   HIS  11           HA       HIS  11 -13.353   0.962  -6.974
   84    HB2  HIS  11           1HB      HIS  11 -14.102  -1.566  -5.462
   85    HB3  HIS  11           2HB      HIS  11 -15.090  -0.118  -5.491
   86    HD2  HIS  11           2HD      HIS  11 -13.710  -0.492  -8.934
   87    HE1  HIS  11           1HE      HIS  11 -17.440  -2.540  -9.008
   88    HE2  HIS  11           2HE      HIS  11 -15.587  -1.575 -10.447
   89    H    GLU  12           H        GLU  12 -11.864  -0.780  -4.227
   90    HA   GLU  12           HA       GLU  12 -12.545   1.103  -2.207
   91    HB2  GLU  12           1HB      GLU  12 -11.512  -1.374  -2.178
   92    HB3  GLU  12           2HB      GLU  12 -10.001  -0.504  -2.048
   93    HG2  GLU  12           1HG      GLU  12 -10.917  -1.193   0.126
   94    HG3  GLU  12           2HG      GLU  12 -10.800   0.572   0.003
   95    H    LEU  13           H        LEU  13  -9.658   0.883  -4.282
   96    HA   LEU  13           HA       LEU  13  -8.377   3.250  -3.202
   97    HB2  LEU  13           1HB      LEU  13  -8.069   1.781  -5.834
   98    HB3  LEU  13           2HB      LEU  13  -6.917   2.953  -5.200
   99    HG   LEU  13           HG       LEU  13  -7.601   0.327  -3.867
  100   HD11  LEU  13          1HD1      LEU  13  -6.465   0.003  -5.997
  101   HD12  LEU  13          2HD1      LEU  13  -5.208   1.179  -5.531
  102   HD13  LEU  13          3HD1      LEU  13  -5.354  -0.367  -4.660
  103   HD21  LEU  13          3HD2      LEU  13  -5.643   0.718  -2.477
  104   HD22  LEU  13          1HD2      LEU  13  -5.409   2.325  -3.231
  105   HD23  LEU  13          2HD2      LEU  13  -6.844   1.989  -2.232
  106    H    ARG  14           H        ARG  14 -10.500   2.710  -6.026
  107    HA   ARG  14           HA       ARG  14 -10.483   5.392  -7.025
  108    HB2  ARG  14           1HB      ARG  14 -12.574   3.209  -7.088
  109    HB3  ARG  14           2HB      ARG  14 -12.906   4.807  -7.752
  110    HG2  ARG  14           1HG      ARG  14 -11.189   4.639  -9.398
  111    HG3  ARG  14           2HG      ARG  14 -10.517   3.176  -8.659
  112    HD2  ARG  14           1HD      ARG  14 -12.533   1.918  -9.148
  113    HD3  ARG  14           2HD      ARG  14 -13.328   3.368  -9.809
  114    HE   ARG  14           HE       ARG  14 -10.935   2.957 -11.245
  115   HH11  ARG  14          1HH1      ARG  14 -14.092   1.378 -10.882
  116   HH12  ARG  14          2HH1      ARG  14 -13.909   0.482 -12.377
  117   HH21  ARG  14          1HH2      ARG  14 -10.853   1.793 -13.236
  118   HH22  ARG  14          2HH2      ARG  14 -12.177   0.735 -13.646
  119    H    LYS  15           H        LYS  15 -12.487   3.970  -4.389
  120    HA   LYS  15           HA       LYS  15 -13.879   6.443  -3.749
  121    HB2  LYS  15           1HB      LYS  15 -13.298   3.915  -2.167
  122    HB3  LYS  15           2HB      LYS  15 -14.278   5.241  -1.547
  123    HG2  LYS  15           1HG      LYS  15 -15.903   4.985  -3.358
  124    HG3  LYS  15           2HG      LYS  15 -14.962   3.684  -4.081
  125    HD2  LYS  15           1HD      LYS  15 -16.253   3.622  -1.316
  126    HD3  LYS  15           2HD      LYS  15 -16.877   2.829  -2.772
  127    HE2  LYS  15           1HE      LYS  15 -14.804   1.453  -2.912
  128    HE3  LYS  15           2HE      LYS  15 -14.193   2.234  -1.447
  129    HZ1  LYS  15           3HZ      LYS  15 -15.151   0.134  -0.906
  130    HZ2  LYS  15           1HZ      LYS  15 -16.070   1.303  -0.232
  131    HZ3  LYS  15           2HZ      LYS  15 -16.606   0.524  -1.576
  132    H    HIS  16           H        HIS  16 -10.837   4.993  -2.575
  133    HA   HIS  16           HA       HIS  16 -10.450   7.034  -0.562
  134    HB2  HIS  16           1HB      HIS  16  -8.718   4.731  -1.533
  135    HB3  HIS  16           2HB      HIS  16  -8.308   5.790  -0.183
  136    HD2  HIS  16           2HD      HIS  16  -8.411   3.118   0.874
  137    HE1  HIS  16           1HE      HIS  16 -12.519   3.460   1.858
  138    HE2  HIS  16           2HE      HIS  16 -10.414   2.166   2.327
  139    H    GLY  17           H        GLY  17  -9.836   7.254  -3.863
  140    HA2  GLY  17           1HA      GLY  17  -9.286   9.394  -4.754
  141    HA3  GLY  17           2HA      GLY  17  -8.250   9.744  -3.356
  142    H    PHE  18           H        PHE  18  -8.172   6.798  -5.370
  143    HA   PHE  18           HA       PHE  18  -5.422   7.468  -6.320
  144    HB2  PHE  18           1HB      PHE  18  -6.978   4.895  -6.131
  145    HB3  PHE  18           2HB      PHE  18  -5.421   5.033  -6.922
  146    HD1  PHE  18           2HD      PHE  18  -6.986   5.843  -3.542
  147    HD2  PHE  18           1HD      PHE  18  -3.545   4.435  -5.706
  148    HE1  PHE  18           2HE      PHE  18  -5.803   5.520  -1.431
  149    HE2  PHE  18           1HE      PHE  18  -2.364   4.034  -3.564
  150    HZ   PHE  18           HZ       PHE  18  -3.482   4.573  -1.417
  151    H    GLU  19           H        GLU  19  -5.019   7.662  -8.535
  152    HA   GLU  19           HA       GLU  19  -7.305   8.393 -10.155
  153    HB2  GLU  19           1HB      GLU  19  -4.412   8.161 -11.050
  154    HB3  GLU  19           2HB      GLU  19  -5.737   9.035 -11.840
  155    HG2  GLU  19           1HG      GLU  19  -5.902  10.420  -9.688
  156    HG3  GLU  19           2HG      GLU  19  -4.346   9.699  -9.242
  157    H    GLU  20           H        GLU  20  -8.184   7.431 -11.949
  158    HA   GLU  20           HA       GLU  20  -8.095   4.588 -12.120
  159    HB2  GLU  20           1HB      GLU  20  -9.552   4.811 -14.033
  160    HB3  GLU  20           2HB      GLU  20 -10.110   5.718 -12.642
  161    HG2  GLU  20           1HG      GLU  20  -8.513   7.156 -14.784
  162    HG3  GLU  20           2HG      GLU  20 -10.178   6.694 -15.085
  163    H    ASN  21           H        ASN  21  -6.110   6.987 -13.757
  164    HA   ASN  21           HA       ASN  21  -5.140   5.057 -15.746
  165    HB2  ASN  21           1HB      ASN  21  -3.853   6.804 -16.625
  166    HB3  ASN  21           2HB      ASN  21  -5.431   7.487 -16.268
  167   HD21  ASN  21          2HD2      ASN  21  -2.638   8.735 -16.528
  168   HD22  ASN  21          1HD2      ASN  21  -2.457   9.635 -15.033
  169    H    LEU  22           H        LEU  22  -4.297   5.921 -12.471
  170    HA   LEU  22           HA       LEU  22  -1.653   4.526 -12.686
  171    HB2  LEU  22           1HB      LEU  22  -2.959   6.014 -10.373
  172    HB3  LEU  22           2HB      LEU  22  -1.350   5.299 -10.373
  173    HG   LEU  22           HG       LEU  22  -2.285   7.687 -11.989
  174   HD11  LEU  22          1HD1      LEU  22  -1.844   8.096  -9.595
  175   HD12  LEU  22          2HD1      LEU  22  -0.221   7.391  -9.765
  176   HD13  LEU  22          3HD1      LEU  22  -0.634   8.896 -10.613
  177   HD21  LEU  22          3HD2      LEU  22   0.080   7.908 -12.751
  178   HD22  LEU  22          1HD2      LEU  22   0.441   6.317 -12.052
  179   HD23  LEU  22          2HD2      LEU  22  -0.702   6.468 -13.406
  180    H    MET  23           H        MET  23  -4.914   3.906 -11.807
  181    HA   MET  23           HA       MET  23  -4.836   2.211  -9.699
  182    HB2  MET  23           1HB      MET  23  -6.783   3.075 -11.126
  183    HB3  MET  23           2HB      MET  23  -6.558   1.677 -12.145
  184    HG2  MET  23           1HG      MET  23  -8.350   1.329 -10.490
  185    HG3  MET  23           2HG      MET  23  -7.037   0.186 -10.227
  186    HE1  MET  23           3HE      MET  23  -8.104   3.866  -7.688
  187    HE2  MET  23           1HE      MET  23  -6.845   4.087  -8.926
  188    HE3  MET  23           2HE      MET  23  -8.480   3.585  -9.394
  189    H    ARG  24           H        ARG  24  -4.193   1.093 -13.067
  190    HA   ARG  24           HA       ARG  24  -3.754  -1.638 -12.561
  191    HB2  ARG  24           1HB      ARG  24  -2.206   0.135 -14.514
  192    HB3  ARG  24           2HB      ARG  24  -2.332  -1.626 -14.555
  193    HG2  ARG  24           1HG      ARG  24  -4.815  -1.386 -14.890
  194    HG3  ARG  24           2HG      ARG  24  -4.577   0.371 -14.993
  195    HD2  ARG  24           1HD      ARG  24  -4.687  -0.433 -17.227
  196    HD3  ARG  24           2HD      ARG  24  -2.996  -0.006 -16.908
  197    HE   ARG  24           HE       ARG  24  -3.581  -2.801 -16.344
  198   HH11  ARG  24          1HH1      ARG  24  -2.889  -0.663 -19.080
  199   HH12  ARG  24          2HH1      ARG  24  -2.304  -1.971 -20.063
  200   HH21  ARG  24          1HH2      ARG  24  -2.779  -4.422 -17.639
  201   HH22  ARG  24          2HH2      ARG  24  -2.256  -4.074 -19.258
  202    H    ASN  25           H        ASN  25  -1.346   1.026 -12.418
  203    HA   ASN  25           HA       ASN  25   0.913  -0.557 -11.648
  204    HB2  ASN  25           1HB      ASN  25   0.406   2.376 -11.022
  205    HB3  ASN  25           2HB      ASN  25   1.959   1.556 -11.101
  206   HD21  ASN  25          2HD2      ASN  25   2.953   1.274 -13.181
  207   HD22  ASN  25          1HD2      ASN  25   2.229   1.942 -14.629
  208    H    TRP  26           H        TRP  26  -1.509   1.275  -9.719
  209    HA   TRP  26           HA       TRP  26  -0.365   0.701  -7.169
  210    HB2  TRP  26           1HB      TRP  26  -3.094   1.622  -8.110
  211    HB3  TRP  26           2HB      TRP  26  -2.776   1.274  -6.419
  212    HD1  TRP  26           HD       TRP  26  -2.693   4.092  -8.703
  213    HE1  TRP  26           1HE      TRP  26  -1.480   6.084  -7.654
  214    HE3  TRP  26           3HE      TRP  26  -0.243   1.645  -4.932
  215    HZ2  TRP  26           2HZ      TRP  26   0.155   6.595  -5.307
  216    HZ3  TRP  26           3HZ      TRP  26   1.122   2.904  -3.296
  217    HH2  TRP  26           HH       TRP  26   1.311   5.379  -3.455
  218    H    VAL  27           H        VAL  27  -3.168  -0.955  -8.807
  219    HA   VAL  27           HA       VAL  27  -3.404  -2.813  -6.631
  220    HB   VAL  27           HB       VAL  27  -4.827  -4.202  -7.894
  221   HG11  VAL  27          1HG1      VAL  27  -5.621  -1.957  -7.090
  222   HG12  VAL  27          2HG1      VAL  27  -5.462  -1.371  -8.757
  223   HG13  VAL  27          3HG1      VAL  27  -6.576  -2.695  -8.382
  224   HG21  VAL  27          3HG2      VAL  27  -5.347  -3.849 -10.293
  225   HG22  VAL  27          1HG2      VAL  27  -3.973  -2.728 -10.407
  226   HG23  VAL  27          2HG2      VAL  27  -3.705  -4.440 -10.010
  227    H    CYS  28           H        CYS  28  -1.394  -2.960  -9.581
  228    HA   CYS  28           HA       CYS  28  -0.543  -5.680  -9.130
  229    HB2  CYS  28           1HB      CYS  28  -0.504  -4.267 -11.240
  230    HB3  CYS  28           2HB      CYS  28   0.977  -3.535 -10.642
  231    H    LEU  29           H        LEU  29   0.927  -2.521  -8.214
  232    HA   LEU  29           HA       LEU  29   3.156  -3.488  -6.745
  233    HB2  LEU  29           1HB      LEU  29   2.794  -1.183  -7.397
  234    HB3  LEU  29           2HB      LEU  29   1.373  -1.032  -6.384
  235    HG   LEU  29           HG       LEU  29   4.167  -1.518  -5.268
  236   HD11  LEU  29          1HD1      LEU  29   4.024   0.599  -6.603
  237   HD12  LEU  29          2HD1      LEU  29   2.637   1.104  -5.614
  238   HD13  LEU  29          3HD1      LEU  29   4.241   0.907  -4.882
  239   HD21  LEU  29          3HD2      LEU  29   3.148  -0.421  -3.213
  240   HD22  LEU  29          1HD2      LEU  29   1.558  -0.583  -3.979
  241   HD23  LEU  29          2HD2      LEU  29   2.518  -2.020  -3.554
  242    H    VAL  30           H        VAL  30  -0.153  -2.758  -5.547
  243    HA   VAL  30           HA       VAL  30   0.250  -3.698  -2.908
  244    HB   VAL  30           HB       VAL  30  -2.226  -3.426  -4.626
  245   HG11  VAL  30          1HG1      VAL  30  -2.832  -5.186  -3.059
  246   HG12  VAL  30          2HG1      VAL  30  -2.133  -4.267  -1.712
  247   HG13  VAL  30          3HG1      VAL  30  -3.583  -3.678  -2.554
  248   HG21  VAL  30          3HG2      VAL  30  -2.663  -1.497  -3.176
  249   HG22  VAL  30          1HG2      VAL  30  -1.255  -1.896  -2.166
  250   HG23  VAL  30          2HG2      VAL  30  -1.027  -1.356  -3.836
  251    H    GLU  31           H        GLU  31  -0.901  -5.569  -5.778
  252    HA   GLU  31           HA       GLU  31  -1.280  -8.027  -4.381
  253    HB2  GLU  31           1HB      GLU  31  -0.702  -7.321  -7.282
  254    HB3  GLU  31           2HB      GLU  31  -0.832  -9.008  -6.762
  255    HG2  GLU  31           1HG      GLU  31  -3.067  -8.736  -5.999
  256    HG3  GLU  31           2HG      GLU  31  -3.020  -6.981  -6.185
  257    H    HIS  32           H        HIS  32   1.681  -6.719  -5.922
  258    HA   HIS  32           HA       HIS  32   3.208  -9.107  -5.206
  259    HB2  HIS  32           1HB      HIS  32   3.810  -6.467  -6.516
  260    HB3  HIS  32           2HB      HIS  32   5.090  -7.629  -6.115
  261    HD2  HIS  32           2HD      HIS  32   3.057  -6.758  -8.977
  262    HE1  HIS  32           1HE      HIS  32   3.611 -10.943  -9.476
  263    HE2  HIS  32           2HE      HIS  32   2.848  -8.797 -10.621
  264    H    GLU  33           H        GLU  33   2.424  -6.232  -3.470
  265    HA   GLU  33           HA       GLU  33   4.646  -6.610  -1.534
  266    HB2  GLU  33           1HB      GLU  33   2.445  -4.541  -1.792
  267    HB3  GLU  33           2HB      GLU  33   3.483  -4.639  -0.381
  268    HG2  GLU  33           1HG      GLU  33   4.455  -4.199  -3.236
  269    HG3  GLU  33           2HG      GLU  33   4.255  -2.951  -2.012
  270    H    SER  34           H        SER  34   0.987  -6.515  -1.245
  271    HA   SER  34           HA       SER  34   1.301  -8.059   1.308
  272    HB2  SER  34           1HB      SER  34  -0.779  -7.030   1.979
  273    HB3  SER  34           2HB      SER  34   0.355  -5.769   1.488
  274    HG   SER  34           HG       SER  34  -0.985  -5.204  -0.020
  275    H    SER  35           H        SER  35   0.257  -8.506  -1.872
  276    HA   SER  35           HA       SER  35  -1.107  -9.932  -2.962
  277    HB2  SER  35           1HB      SER  35  -1.729 -11.497  -0.473
  278    HB3  SER  35           2HB      SER  35  -1.701 -12.035  -2.148
  279    HG   SER  35           HG       SER  35   0.622 -11.786  -2.088
  280    H    ARG  36           H        ARG  36  -2.186  -7.536  -1.415
  281    HA   ARG  36           HA       ARG  36  -4.130  -6.438  -1.291
  282    HB2  ARG  36           1HB      ARG  36  -5.767  -8.792  -2.251
  283    HB3  ARG  36           2HB      ARG  36  -6.123  -7.071  -2.345
  284    HG2  ARG  36           1HG      ARG  36  -4.146  -6.878  -3.963
  285    HG3  ARG  36           2HG      ARG  36  -4.107  -8.631  -3.999
  286    HD2  ARG  36           1HD      ARG  36  -6.591  -7.016  -4.696
  287    HD3  ARG  36           2HD      ARG  36  -5.426  -7.587  -5.881
  288    HE   ARG  36           HE       ARG  36  -7.040  -9.338  -4.061
  289   HH11  ARG  36          1HH1      ARG  36  -5.511  -8.990  -7.283
  290   HH12  ARG  36          2HH1      ARG  36  -5.953 -10.619  -7.705
  291   HH21  ARG  36          1HH2      ARG  36  -7.488 -11.391  -4.698
  292   HH22  ARG  36          2HH2      ARG  36  -7.093 -11.932  -6.300
  293    H    ASP  37           H        ASP  37  -3.059  -8.014   0.881
  294    HA   ASP  37           HA       ASP  37  -5.518  -8.617   2.514
  295    HB2  ASP  37           1HB      ASP  37  -4.348 -10.684   2.026
  296    HB3  ASP  37           2HB      ASP  37  -2.817  -9.984   2.536
  297    H    THR  38           H        THR  38  -5.842  -7.198   4.095
  298    HA   THR  38           HA       THR  38  -3.804  -5.261   4.808
  299    HB   THR  38           HB       THR  38  -5.285  -4.453   6.566
  300    HG1  THR  38           1HG      THR  38  -7.236  -5.314   6.878
  301   HG21  THR  38          3HG2      THR  38  -7.162  -3.703   5.188
  302   HG22  THR  38          1HG2      THR  38  -5.633  -3.587   4.311
  303   HG23  THR  38          2HG2      THR  38  -6.773  -4.916   3.956
  304    H    SER  39           H        SER  39  -4.648  -8.427   6.140
  305    HA   SER  39           HA       SER  39  -3.379  -7.970   8.722
  306    HB2  SER  39           1HB      SER  39  -4.274 -10.505   7.304
  307    HB3  SER  39           2HB      SER  39  -3.690 -10.417   8.964
  308    HG   SER  39           HG       SER  39  -5.975 -10.382   8.861
  309    H    LYS  40           H        LYS  40  -1.971  -8.352   5.667
  310    HA   LYS  40           HA       LYS  40   0.046 -10.291   6.292
  311    HB2  LYS  40           1HB      LYS  40  -0.875  -9.626   3.995
  312    HB3  LYS  40           2HB      LYS  40   0.084  -8.166   4.112
  313    HG2  LYS  40           1HG      LYS  40   1.318  -9.731   2.792
  314    HG3  LYS  40           2HG      LYS  40   2.165  -9.571   4.300
  315    HD2  LYS  40           1HD      LYS  40   2.107 -11.902   3.514
  316    HD3  LYS  40           2HD      LYS  40   1.309 -11.739   5.066
  317    HE2  LYS  40           1HE      LYS  40   0.034 -13.246   3.681
  318    HE3  LYS  40           2HE      LYS  40  -0.917 -11.788   3.955
  319    HZ1  LYS  40           3HZ      LYS  40  -0.962 -12.558   1.635
  320    HZ2  LYS  40           1HZ      LYS  40  -0.360 -11.047   1.722
  321    HZ3  LYS  40           2HZ      LYS  40   0.643 -12.322   1.476
  322    H    THR  41           H        THR  41   2.200 -10.080   6.762
  323    HA   THR  41           HA       THR  41   3.485  -7.482   7.164
  324    HB   THR  41           HB       THR  41   4.404  -8.105   9.353
  325    HG1  THR  41           1HG      THR  41   2.385 -10.094   9.434
  326   HG21  THR  41          3HG2      THR  41   2.634  -7.539  10.806
  327   HG22  THR  41          1HG2      THR  41   2.468  -6.590   9.334
  328   HG23  THR  41          2HG2      THR  41   1.392  -7.983   9.596
  329    H    ASN  42           H        ASN  42   5.717  -7.584   7.469
  330    HA   ASN  42           HA       ASN  42   7.118 -10.119   6.960
  331    HB2  ASN  42           1HB      ASN  42   7.082  -7.743   5.047
  332    HB3  ASN  42           2HB      ASN  42   8.442  -8.846   5.110
  333   HD21  ASN  42          2HD2      ASN  42   5.184  -8.428   3.934
  334   HD22  ASN  42          1HD2      ASN  42   5.121  -9.972   3.091
  335    H    THR  43           H        THR  43   9.023 -10.194   8.066
  336    HA   THR  43           HA       THR  43   9.904  -7.834   9.622
  337    HB   THR  43           HB       THR  43  11.057 -10.643   9.679
  338    HG1  THR  43           1HG      THR  43   9.550 -11.128  11.184
  339   HG21  THR  43          3HG2      THR  43  11.496 -10.020  12.078
  340   HG22  THR  43          1HG2      THR  43  12.387  -9.008  10.942
  341   HG23  THR  43          2HG2      THR  43  10.925  -8.374  11.729
  342    H    ASN  44           H        ASN  44  11.975  -6.982   9.569
  343    HA   ASN  44           HA       ASN  44  13.598  -7.498   7.104
  344    HB2  ASN  44           1HB      ASN  44  13.288  -4.950   8.739
  345    HB3  ASN  44           2HB      ASN  44  14.260  -5.135   7.283
  346   HD21  ASN  44          2HD2      ASN  44  10.973  -4.995   8.539
  347   HD22  ASN  44          1HD2      ASN  44  10.206  -4.601   6.985
  348    H    ARG  45           H        ARG  45  15.889  -7.175   7.273
  349    HA   ARG  45           HA       ARG  45  17.113  -8.575   9.422
  350    HB2  ARG  45           1HB      ARG  45  18.444  -6.765   7.361
  351    HB3  ARG  45           2HB      ARG  45  19.245  -7.988   8.361
  352    HG2  ARG  45           1HG      ARG  45  17.776  -9.740   7.315
  353    HG3  ARG  45           2HG      ARG  45  17.128  -8.489   6.232
  354    HD2  ARG  45           1HD      ARG  45  19.398  -8.066   5.348
  355    HD3  ARG  45           2HD      ARG  45  20.056  -9.308   6.436
  356    HE   ARG  45           HE       ARG  45  17.964 -10.466   4.901
  357   HH11  ARG  45          1HH1      ARG  45  21.258  -9.288   4.372
  358   HH12  ARG  45          2HH1      ARG  45  21.523 -10.360   3.028
  359   HH21  ARG  45          1HH2      ARG  45  18.371 -11.821   3.162
  360   HH22  ARG  45          2HH2      ARG  45  19.909 -11.773   2.355
  361    H    ASN  46           H        ASN  46  16.559  -5.162   9.041
  362    HA   ASN  46           HA       ASN  46  18.342  -4.231  11.123
  363    HB2  ASN  46           1HB      ASN  46  17.529  -2.860   9.226
  364    HB3  ASN  46           2HB      ASN  46  15.881  -2.950   9.855
  365   HD21  ASN  46          2HD2      ASN  46  19.215  -1.851  10.762
  366   HD22  ASN  46          1HD2      ASN  46  18.645  -0.525  11.758
  367    H    GLY  47           H        GLY  47  15.366  -5.939  11.353
  368    HA2  GLY  47           1HA      GLY  47  14.309  -6.652  13.320
  369    HA3  GLY  47           2HA      GLY  47  15.028  -5.307  14.237
  370    H    SER  48           H        SER  48  13.809  -3.954  11.442
  371    HA   SER  48           HA       SER  48  11.288  -3.042  12.658
  372    HB2  SER  48           1HB      SER  48  11.094  -1.724  10.595
  373    HB3  SER  48           2HB      SER  48  12.598  -1.433  11.471
  374    HG   SER  48           HG       SER  48  13.215  -1.683   9.370
  375    H    LYS  49           H        LYS  49   9.268  -3.211  11.430
  376    HA   LYS  49           HA       LYS  49   9.028  -5.631   9.702
  377    HB2  LYS  49           1HB      LYS  49   8.366  -5.907  12.264
  378    HB3  LYS  49           2HB      LYS  49   6.915  -5.056  11.750
  379    HG2  LYS  49           1HG      LYS  49   6.566  -6.867  10.008
  380    HG3  LYS  49           2HG      LYS  49   7.933  -7.723  10.753
  381    HD2  LYS  49           1HD      LYS  49   6.641  -7.524  12.985
  382    HD3  LYS  49           2HD      LYS  49   5.281  -6.945  12.024
  383    HE2  LYS  49           1HE      LYS  49   4.839  -9.230  12.321
  384    HE3  LYS  49           2HE      LYS  49   5.456  -9.122  10.673
  385    HZ1  LYS  49           3HZ      LYS  49   6.462 -10.954  11.888
  386    HZ2  LYS  49           1HZ      LYS  49   7.624  -9.869  11.508
  387    HZ3  LYS  49           2HZ      LYS  49   7.044  -9.951  13.040
  388    H    ASP  50           H        ASP  50   7.318  -5.647   8.324
  389    HA   ASP  50           HA       ASP  50   6.290  -3.003   7.447
  390    HB2  ASP  50           1HB      ASP  50   6.359  -5.697   6.031
  391    HB3  ASP  50           2HB      ASP  50   5.907  -4.155   5.331
  392    H    TYR  51           H        TYR  51   4.092  -2.641   7.241
  393    HA   TYR  51           HA       TYR  51   2.158  -4.757   8.123
  394    HB2  TYR  51           1HB      TYR  51   2.419  -1.874   9.049
  395    HB3  TYR  51           2HB      TYR  51   1.130  -2.970   9.518
  396    HD1  TYR  51           2HD      TYR  51   4.703  -2.123   9.922
  397    HD2  TYR  51           1HD      TYR  51   1.489  -4.677  11.211
  398    HE1  TYR  51           2HE      TYR  51   6.017  -2.756  11.912
  399    HE2  TYR  51           1HE      TYR  51   2.794  -5.310  13.235
  400    HH   TYR  51           HH       TYR  51   6.051  -3.955  13.897
  401    H    GLY  52           H        GLY  52   0.079  -4.678   7.355
  402    HA2  GLY  52           1HA      GLY  52  -1.834  -3.851   6.338
  403    HA3  GLY  52           2HA      GLY  52  -1.041  -2.279   6.169
  404    H    LEU  53           H        LEU  53  -2.493  -2.561   4.200
  405    HA   LEU  53           HA       LEU  53  -1.836  -4.473   2.267
  406    HB2  LEU  53           1HB      LEU  53  -3.889  -2.621   2.655
  407    HB3  LEU  53           2HB      LEU  53  -3.017  -1.849   1.343
  408    HG   LEU  53           HG       LEU  53  -3.124  -4.310   0.268
  409   HD11  LEU  53          1HD1      LEU  53  -4.115  -5.311   2.280
  410   HD12  LEU  53          2HD1      LEU  53  -5.528  -4.239   2.122
  411   HD13  LEU  53          3HD1      LEU  53  -5.215  -5.445   0.886
  412   HD21  LEU  53          3HD2      LEU  53  -5.214  -3.775  -0.808
  413   HD22  LEU  53          1HD2      LEU  53  -5.541  -2.499   0.401
  414   HD23  LEU  53          2HD2      LEU  53  -4.174  -2.328  -0.726
  415    H    PHE  54           H        PHE  54  -0.216  -1.488   2.750
  416    HA   PHE  54           HA       PHE  54   1.246  -1.794   0.160
  417    HB2  PHE  54           1HB      PHE  54   1.021   0.601   2.013
  418    HB3  PHE  54           2HB      PHE  54   1.903   0.554   0.498
  419    HD1  PHE  54           2HD      PHE  54  -1.496   0.419   1.997
  420    HD2  PHE  54           1HD      PHE  54   0.783   0.830  -1.632
  421    HE1  PHE  54           2HE      PHE  54  -3.549   1.077   0.803
  422    HE2  PHE  54           1HE      PHE  54  -1.279   1.532  -2.824
  423    HZ   PHE  54           HZ       PHE  54  -3.445   1.654  -1.624
  424    H    GLN  55           H        GLN  55   1.575  -3.080   3.075
  425    HA   GLN  55           HA       GLN  55   3.233  -3.721   4.462
  426    HB2  GLN  55           1HB      GLN  55   4.666  -3.793   1.777
  427    HB3  GLN  55           2HB      GLN  55   5.342  -4.499   3.235
  428    HG2  GLN  55           1HG      GLN  55   2.722  -5.329   1.934
  429    HG3  GLN  55           2HG      GLN  55   4.260  -6.196   1.894
  430   HE21  GLN  55          2HE2      GLN  55   1.373  -5.552   3.855
  431   HE22  GLN  55          1HE2      GLN  55   1.878  -6.534   5.202
  432    H    ILE  56           H        ILE  56   2.927  -1.402   5.192
  433    HA   ILE  56           HA       ILE  56   5.084   0.496   4.639
  434    HB   ILE  56           HB       ILE  56   2.803   0.765   6.652
  435   HG12  ILE  56          1HG1      ILE  56   2.903   1.340   3.638
  436   HG13  ILE  56          2HG1      ILE  56   1.800   0.204   4.443
  437   HG21  ILE  56          1HG2      ILE  56   4.653   2.362   6.814
  438   HG22  ILE  56          2HG2      ILE  56   4.394   2.839   5.117
  439   HG23  ILE  56          3HG2      ILE  56   3.147   3.134   6.356
  440   HD11  ILE  56          3HD1      ILE  56   0.482   2.053   3.862
  441   HD12  ILE  56          1HD1      ILE  56   0.772   2.243   5.607
  442   HD13  ILE  56          2HD1      ILE  56   1.694   3.207   4.421
  443    H    ASN  57           H        ASN  57   6.815   0.934   5.934
  444    HA   ASN  57           HA       ASN  57   7.287  -1.012   8.079
  445    HB2  ASN  57           1HB      ASN  57   8.814  -0.747   6.161
  446    HB3  ASN  57           2HB      ASN  57   9.180   0.899   6.708
  447   HD21  ASN  57          2HD2      ASN  57   9.824  -2.502   7.191
  448   HD22  ASN  57          1HD2      ASN  57  11.046  -2.260   8.447
  449    H    ASP  58           H        ASP  58   7.611  -0.614  10.130
  450    HA   ASP  58           HA       ASP  58   6.633   1.721  11.334
  451    HB2  ASP  58           1HB      ASP  58   6.995   0.720  13.383
  452    HB3  ASP  58           2HB      ASP  58   6.646  -0.597  12.271
  453    H    ARG  59           H        ARG  59   9.798   1.300  10.158
  454    HA   ARG  59           HA       ARG  59  11.165   3.112  11.999
  455    HB2  ARG  59           1HB      ARG  59  12.196   1.174  10.836
  456    HB3  ARG  59           2HB      ARG  59  11.941   2.003   9.286
  457    HG2  ARG  59           1HG      ARG  59  13.540   3.686   9.793
  458    HG3  ARG  59           2HG      ARG  59  13.638   3.194  11.490
  459    HD2  ARG  59           1HD      ARG  59  15.566   2.461  10.059
  460    HD3  ARG  59           2HD      ARG  59  14.750   1.153  10.953
  461    HE   ARG  59           HE       ARG  59  13.498   1.107   8.515
  462   HH11  ARG  59          1HH1      ARG  59  16.926   0.955   9.352
  463   HH12  ARG  59          2HH1      ARG  59  17.310  -0.041   7.979
  464   HH21  ARG  59          1HH2      ARG  59  14.036  -0.286   6.843
  465   HH22  ARG  59          2HH2      ARG  59  15.689  -0.753   6.599
  466    H    TYR  60           H        TYR  60   9.358   3.464   8.981
  467    HA   TYR  60           HA       TYR  60  10.456   6.239   8.617
  468    HB2  TYR  60           1HB      TYR  60   9.522   4.199   6.582
  469    HB3  TYR  60           2HB      TYR  60  10.115   5.805   6.209
  470    HD1  TYR  60           1HD      TYR  60  12.551   6.148   7.786
  471    HD2  TYR  60           2HD      TYR  60  11.055   2.601   5.829
  472    HE1  TYR  60           1HE      TYR  60  14.868   5.298   7.556
  473    HE2  TYR  60           2HE      TYR  60  13.384   1.785   5.542
  474    HH   TYR  60           HH       TYR  60  16.224   3.664   6.688
  475    H    TRP  61           H        TRP  61   7.364   4.415   8.398
  476    HA   TRP  61           HA       TRP  61   6.013   7.047   7.808
  477    HB2  TRP  61           1HB      TRP  61   5.401   4.383   6.586
  478    HB3  TRP  61           2HB      TRP  61   4.681   5.916   6.147
  479    HD1  TRP  61           HD       TRP  61   7.057   3.512   4.969
  480    HE1  TRP  61           1HE      TRP  61   8.650   4.462   3.194
  481    HE3  TRP  61           3HE      TRP  61   6.098   8.500   5.614
  482    HZ2  TRP  61           2HZ      TRP  61   9.322   7.051   2.104
  483    HZ3  TRP  61           3HZ      TRP  61   7.104  10.168   4.100
  484    HH2  TRP  61           HH       TRP  61   8.742   9.468   2.355
  485    H    CYS  62           H        CYS  62   5.426   3.738   9.165
  486    HA   CYS  62           HA       CYS  62   3.219   4.961  10.775
  487    HB2  CYS  62           1HB      CYS  62   2.612   2.539  11.210
  488    HB3  CYS  62           2HB      CYS  62   2.321   3.168   9.607
  489    H    SER  63           H        SER  63   3.016   4.275  13.005
  490    HA   SER  63           HA       SER  63   5.643   4.074  14.421
  491    HB2  SER  63           1HB      SER  63   4.219   6.035  14.909
  492    HB3  SER  63           2HB      SER  63   2.897   4.954  15.378
  493    HG   SER  63           HG       SER  63   3.913   5.486  17.245
  494    H    LYS  64           H        LYS  64   6.166   2.306  15.588
  495    HA   LYS  64           HA       LYS  64   4.284   0.068  15.919
  496    HB2  LYS  64           1HB      LYS  64   6.205  -1.090  16.875
  497    HB3  LYS  64           2HB      LYS  64   6.590  -0.418  15.305
  498    HG2  LYS  64           1HG      LYS  64   8.218   0.965  16.139
  499    HG3  LYS  64           2HG      LYS  64   7.270   1.422  17.541
  500    HD2  LYS  64           1HD      LYS  64   9.256   0.269  18.292
  501    HD3  LYS  64           2HD      LYS  64   7.814  -0.652  18.692
  502    HE2  LYS  64           1HE      LYS  64   9.408  -2.238  17.969
  503    HE3  LYS  64           2HE      LYS  64   8.232  -2.103  16.659
  504    HZ1  LYS  64           3HZ      LYS  64  10.540  -2.090  15.866
  505    HZ2  LYS  64           1HZ      LYS  64   9.801  -0.690  15.465
  506    HZ3  LYS  64           2HZ      LYS  64  10.869  -0.730  16.713
  507    H    GLY  65           H        GLY  65   4.807   2.834  17.720
  508    HA2  GLY  65           1HA      GLY  65   4.983   1.727  20.406
  509    HA3  GLY  65           2HA      GLY  65   4.766   3.430  19.962
  510    H    ALA  66           H        ALA  66   3.394   3.425  21.878
  511    HA   ALA  66           HA       ALA  66   0.796   2.087  21.805
  512    HB1  ALA  66           1HB      ALA  66   2.039   2.522  23.906
  513    HB2  ALA  66           2HB      ALA  66   1.898   4.276  23.627
  514    HB3  ALA  66           3HB      ALA  66   0.445   3.298  23.919
  515    H    SER  67           H        SER  67   1.899   4.739  20.086
  516    HA   SER  67           HA       SER  67  -0.785   5.780  19.515
  517    HB2  SER  67           1HB      SER  67  -0.095   8.097  20.079
  518    HB3  SER  67           2HB      SER  67  -0.155   7.032  21.489
  519    HG   SER  67           HG       SER  67   1.736   8.346  21.479
  520    HA   PRO  68           HA       PRO  68   1.175   6.522  15.533
  521    HB2  PRO  68           1HB      PRO  68  -0.361   8.504  14.475
  522    HB3  PRO  68           2HB      PRO  68  -0.980   6.837  14.732
  523    HG2  PRO  68           1HG      PRO  68  -1.333   9.247  16.542
  524    HG3  PRO  68           2HG      PRO  68  -2.595   8.126  15.929
  525    HD2  PRO  68           1HD      PRO  68  -1.474   7.806  18.379
  526    HD3  PRO  68           2HD      PRO  68  -1.886   6.392  17.365
  527    H    GLY  69           H        GLY  69   2.591   8.073  14.459
  528    HA2  GLY  69           1HA      GLY  69   3.274  10.652  15.356
  529    HA3  GLY  69           2HA      GLY  69   4.116   9.552  16.431
  530    H    LYS  70           H        LYS  70   3.553  10.219  13.013
  531    HA   LYS  70           HA       LYS  70   6.391  10.075  12.273
  532    HB2  LYS  70           1HB      LYS  70   4.269   8.195  11.140
  533    HB3  LYS  70           2HB      LYS  70   5.782   8.506  10.308
  534    HG2  LYS  70           1HG      LYS  70   5.531   7.171  13.005
  535    HG3  LYS  70           2HG      LYS  70   5.796   6.401  11.446
  536    HD2  LYS  70           1HD      LYS  70   7.955   7.569  11.191
  537    HD3  LYS  70           2HD      LYS  70   7.743   8.283  12.811
  538    HE2  LYS  70           1HE      LYS  70   7.599   6.006  13.788
  539    HE3  LYS  70           2HE      LYS  70   7.817   5.294  12.187
  540    HZ1  LYS  70           3HZ      LYS  70   9.888   5.366  13.435
  541    HZ2  LYS  70           1HZ      LYS  70  10.033   6.302  12.105
  542    HZ3  LYS  70           2HZ      LYS  70   9.819   6.994  13.577
  543    H    ASP  71           H        ASP  71   6.433  10.419   9.743
  544    HA   ASP  71           HA       ASP  71   5.286  12.928   9.027
  545    HB2  ASP  71           1HB      ASP  71   7.311  11.999   8.019
  546    HB3  ASP  71           2HB      ASP  71   6.390  10.661   7.326
  547    H    CYS  72           H        CYS  72   3.948   9.671   8.694
  548    HA   CYS  72           HA       CYS  72   1.573  10.728   7.219
  549    HB2  CYS  72           1HB      CYS  72   2.394   7.875   7.788
  550    HB3  CYS  72           2HB      CYS  72   1.071   8.408   6.765
  551    H    ASN  73           H        ASN  73   2.389  10.405  10.422
  552    HA   ASN  73           HA       ASN  73   1.264  10.231  12.369
  553    HB2  ASN  73           1HB      ASN  73   0.605  12.397  11.325
  554    HB3  ASN  73           2HB      ASN  73  -0.867  11.637  10.722
  555   HD21  ASN  73          2HD2      ASN  73  -2.174  13.138  11.970
  556   HD22  ASN  73          1HD2      ASN  73  -2.306  12.964  13.712
  557    H    VAL  74           H        VAL  74   1.204   7.776  11.601
  558    HA   VAL  74           HA       VAL  74  -1.457   6.709  12.289
  559    HB   VAL  74           HB       VAL  74  -1.422   7.019   9.825
  560   HG11  VAL  74          1HG1      VAL  74   0.991   6.619   9.381
  561   HG12  VAL  74          2HG1      VAL  74   0.769   4.901   9.778
  562   HG13  VAL  74          3HG1      VAL  74  -0.058   5.603   8.381
  563   HG21  VAL  74          3HG2      VAL  74  -2.313   4.868   9.257
  564   HG22  VAL  74          1HG2      VAL  74  -1.488   4.095  10.624
  565   HG23  VAL  74          2HG2      VAL  74  -2.795   5.268  10.914
  566    H    LYS  75           H        LYS  75  -1.463   4.658  13.120
  567    HA   LYS  75           HA       LYS  75   1.129   3.667  14.177
  568    HB2  LYS  75           1HB      LYS  75  -1.015   4.395  15.510
  569    HB3  LYS  75           2HB      LYS  75  -1.631   2.805  15.053
  570    HG2  LYS  75           1HG      LYS  75   0.314   1.736  16.182
  571    HG3  LYS  75           2HG      LYS  75   0.982   3.337  16.522
  572    HD2  LYS  75           1HD      LYS  75   0.012   2.645  18.523
  573    HD3  LYS  75           2HD      LYS  75  -1.088   3.852  17.898
  574    HE2  LYS  75           1HE      LYS  75  -1.608   0.924  17.300
  575    HE3  LYS  75           2HE      LYS  75  -1.854   1.500  18.945
  576    HZ1  LYS  75           3HZ      LYS  75  -3.901   1.663  17.751
  577    HZ2  LYS  75           1HZ      LYS  75  -3.398   3.179  18.071
  578    HZ3  LYS  75           2HZ      LYS  75  -3.270   2.560  16.554
  579    H    CYS  76           H        CYS  76   1.901   1.611  13.727
  580    HA   CYS  76           HA       CYS  76   1.331   0.240  11.363
  581    HB2  CYS  76           1HB      CYS  76   2.389  -0.935  13.970
  582    HB3  CYS  76           2HB      CYS  76   2.612  -1.600  12.356
  583    H    SER  77           H        SER  77  -0.135  -0.426  14.560
  584    HA   SER  77           HA       SER  77  -1.521  -2.818  13.762
  585    HB2  SER  77           1HB      SER  77  -0.937  -2.087  16.104
  586    HB3  SER  77           2HB      SER  77  -2.278  -0.929  16.011
  587    HG   SER  77           HG       SER  77  -2.875  -2.957  16.986
  588    H    ASP  78           H        ASP  78  -2.494   0.631  13.469
  589    HA   ASP  78           HA       ASP  78  -5.260   0.025  12.789
  590    HB2  ASP  78           1HB      ASP  78  -3.536   2.518  12.531
  591    HB3  ASP  78           2HB      ASP  78  -5.205   2.435  11.991
  592    H    LEU  79           H        LEU  79  -2.296  -0.346  11.103
  593    HA   LEU  79           HA       LEU  79  -3.506  -0.085   8.424
  594    HB2  LEU  79           1HB      LEU  79  -0.851  -1.372   9.124
  595    HB3  LEU  79           2HB      LEU  79  -1.397  -0.744   7.578
  596    HG   LEU  79           HG       LEU  79  -0.641   0.905  10.020
  597   HD11  LEU  79          1HD1      LEU  79   1.263   0.017   8.820
  598   HD12  LEU  79          2HD1      LEU  79   0.570   0.499   7.258
  599   HD13  LEU  79          3HD1      LEU  79   1.110   1.732   8.412
  600   HD21  LEU  79          3HD2      LEU  79  -0.963   2.875   8.495
  601   HD22  LEU  79          1HD2      LEU  79  -1.732   1.786   7.328
  602   HD23  LEU  79          2HD2      LEU  79  -2.483   2.069   8.912
  603    H    LEU  80           H        LEU  80  -3.447  -2.471  10.882
  604    HA   LEU  80           HA       LEU  80  -3.835  -4.743   9.026
  605    HB2  LEU  80           1HB      LEU  80  -3.686  -4.729  12.054
  606    HB3  LEU  80           2HB      LEU  80  -3.637  -6.137  11.001
  607    HG   LEU  80           HG       LEU  80  -1.502  -3.982  11.200
  608   HD11  LEU  80          1HD1      LEU  80  -1.641  -5.488  13.155
  609   HD12  LEU  80          2HD1      LEU  80  -1.541  -6.903  12.083
  610   HD13  LEU  80          3HD1      LEU  80  -0.164  -5.797  12.232
  611   HD21  LEU  80          3HD2      LEU  80  -0.120  -5.505   9.776
  612   HD22  LEU  80          1HD2      LEU  80  -1.557  -6.505   9.492
  613   HD23  LEU  80          2HD2      LEU  80  -1.501  -4.819   8.920
  614    H    THR  81           H        THR  81  -5.854  -2.445   9.919
  615    HA   THR  81           HA       THR  81  -8.094  -3.966  11.029
  616    HB   THR  81           HB       THR  81  -7.466  -1.651  11.690
  617    HG1  THR  81           1HG      THR  81  -9.626  -1.104  11.928
  618   HG21  THR  81          3HG2      THR  81  -7.982   0.235  10.415
  619   HG22  THR  81          1HG2      THR  81  -7.207  -0.826   9.235
  620   HG23  THR  81          2HG2      THR  81  -8.976  -0.677   9.247
  621    H    ASP  82           H        ASP  82 -10.286  -3.142   9.912
  622    HA   ASP  82           HA       ASP  82 -10.320  -4.812   7.464
  623    HB2  ASP  82           1HB      ASP  82 -12.610  -3.872   9.226
  624    HB3  ASP  82           2HB      ASP  82 -12.699  -5.093   7.957
  625    H    ASP  83           H        ASP  83  -9.807  -1.750   7.682
  626    HA   ASP  83           HA       ASP  83 -11.033  -1.189   5.053
  627    HB2  ASP  83           1HB      ASP  83 -12.404   0.023   6.777
  628    HB3  ASP  83           2HB      ASP  83 -10.958   0.914   7.252
  629    H    ILE  84           H        ILE  84  -9.504  -0.627   3.686
  630    HA   ILE  84           HA       ILE  84  -6.736  -0.695   4.486
  631    HB   ILE  84           HB       ILE  84  -6.226  -0.655   2.171
  632   HG12  ILE  84          1HG1      ILE  84  -9.053   0.345   1.602
  633   HG13  ILE  84          2HG1      ILE  84  -7.591   1.329   1.575
  634   HG21  ILE  84          1HG2      ILE  84  -7.499  -2.684   3.042
  635   HG22  ILE  84          2HG2      ILE  84  -8.956  -2.019   2.302
  636   HG23  ILE  84          3HG2      ILE  84  -7.582  -2.476   1.293
  637   HD11  ILE  84          3HD1      ILE  84  -8.210   0.789  -0.662
  638   HD12  ILE  84          1HD1      ILE  84  -6.657   0.016  -0.251
  639   HD13  ILE  84          2HD1      ILE  84  -8.158  -0.949  -0.325
  640    H    THR  85           H        THR  85  -8.907   1.933   4.409
  641    HA   THR  85           HA       THR  85  -7.497   4.001   3.219
  642    HB   THR  85           HB       THR  85  -9.834   4.067   3.881
  643    HG1  THR  85           1HG      THR  85  -9.771   6.272   4.357
  644   HG21  THR  85          3HG2      THR  85 -10.547   4.720   6.075
  645   HG22  THR  85          1HG2      THR  85  -9.561   3.263   6.257
  646   HG23  THR  85          2HG2      THR  85  -8.872   4.853   6.658
  647    H    LYS  86           H        LYS  86  -7.006   2.884   6.561
  648    HA   LYS  86           HA       LYS  86  -5.286   5.032   7.366
  649    HB2  LYS  86           1HB      LYS  86  -5.225   2.115   8.241
  650    HB3  LYS  86           2HB      LYS  86  -4.551   3.479   9.128
  651    HG2  LYS  86           1HG      LYS  86  -7.509   2.948   8.604
  652    HG3  LYS  86           2HG      LYS  86  -6.649   2.737  10.122
  653    HD2  LYS  86           1HD      LYS  86  -6.174   5.195  10.181
  654    HD3  LYS  86           2HD      LYS  86  -7.148   5.390   8.704
  655    HE2  LYS  86           1HE      LYS  86  -9.109   4.401   9.865
  656    HE3  LYS  86           2HE      LYS  86  -8.147   4.211  11.336
  657    HZ1  LYS  86           3HZ      LYS  86  -9.484   6.227  11.410
  658    HZ2  LYS  86           1HZ      LYS  86  -7.903   6.632  11.413
  659    HZ3  LYS  86           2HZ      LYS  86  -8.793   6.810  10.051
  660    H    ALA  87           H        ALA  87  -4.642   2.174   5.421
  661    HA   ALA  87           HA       ALA  87  -1.721   2.704   5.319
  662    HB1  ALA  87           1HB      ALA  87  -2.716   0.360   5.538
  663    HB2  ALA  87           2HB      ALA  87  -3.355   0.555   3.889
  664    HB3  ALA  87           3HB      ALA  87  -1.598   0.592   4.190
  665    H    ALA  88           H        ALA  88  -4.616   2.842   3.216
  666    HA   ALA  88           HA       ALA  88  -3.237   3.548   0.841
  667    HB1  ALA  88           1HB      ALA  88  -5.579   2.616   1.074
  668    HB2  ALA  88           2HB      ALA  88  -6.110   4.243   1.577
  669    HB3  ALA  88           3HB      ALA  88  -5.423   3.980  -0.031
  670    H    LYS  89           H        LYS  89  -4.732   5.755   3.293
  671    HA   LYS  89           HA       LYS  89  -3.985   8.161   1.851
  672    HB2  LYS  89           1HB      LYS  89  -4.571   7.650   4.787
  673    HB3  LYS  89           2HB      LYS  89  -4.415   9.249   4.062
  674    HG2  LYS  89           1HG      LYS  89  -6.564   7.196   3.363
  675    HG3  LYS  89           2HG      LYS  89  -6.764   8.608   4.400
  676    HD2  LYS  89           1HD      LYS  89  -6.184  10.069   2.424
  677    HD3  LYS  89           2HD      LYS  89  -6.170   8.605   1.407
  678    HE2  LYS  89           1HE      LYS  89  -8.513   8.116   2.100
  679    HE3  LYS  89           2HE      LYS  89  -8.526   9.585   3.082
  680    HZ1  LYS  89           3HZ      LYS  89  -9.537  10.011   0.946
  681    HZ2  LYS  89           1HZ      LYS  89  -8.141  10.858   1.017
  682    HZ3  LYS  89           2HZ      LYS  89  -8.223   9.475   0.130
  683    H    CYS  90           H        CYS  90  -2.271   6.145   4.185
  684    HA   CYS  90           HA       CYS  90   0.050   7.886   4.486
  685    HB2  CYS  90           1HB      CYS  90  -0.526   6.184   6.117
  686    HB3  CYS  90           2HB      CYS  90  -0.384   4.903   4.912
  687    H    ALA  91           H        ALA  91  -0.764   5.170   2.270
  688    HA   ALA  91           HA       ALA  91   1.598   5.240   0.722
  689    HB1  ALA  91           1HB      ALA  91  -0.127   3.454   0.709
  690    HB2  ALA  91           2HB      ALA  91  -1.227   4.535  -0.156
  691    HB3  ALA  91           3HB      ALA  91   0.283   4.024  -0.924
  692    H    LYS  92           H        LYS  92  -1.408   7.306   0.282
  693    HA   LYS  92           HA       LYS  92  -0.340   8.706  -1.963
  694    HB2  LYS  92           1HB      LYS  92  -2.085   9.946   0.191
  695    HB3  LYS  92           2HB      LYS  92  -1.896  10.465  -1.475
  696    HG2  LYS  92           1HG      LYS  92  -3.380   8.058  -0.419
  697    HG3  LYS  92           2HG      LYS  92  -4.020   9.443  -1.224
  698    HD2  LYS  92           1HD      LYS  92  -2.421   7.166  -2.430
  699    HD3  LYS  92           2HD      LYS  92  -4.104   7.558  -2.707
  700    HE2  LYS  92           1HE      LYS  92  -1.725   9.245  -3.620
  701    HE3  LYS  92           2HE      LYS  92  -2.661   8.146  -4.633
  702    HZ1  LYS  92           3HZ      LYS  92  -3.395  10.441  -4.891
  703    HZ2  LYS  92           1HZ      LYS  92  -4.613   9.546  -4.281
  704    HZ3  LYS  92           2HZ      LYS  92  -3.773  10.562  -3.308
  705    H    LYS  93           H        LYS  93   0.100   9.393   1.543
  706    HA   LYS  93           HA       LYS  93   1.712  11.728   1.108
  707    HB2  LYS  93           1HB      LYS  93   0.535  11.277   3.209
  708    HB3  LYS  93           2HB      LYS  93   1.544   9.869   3.504
  709    HG2  LYS  93           1HG      LYS  93   2.217  11.788   4.872
  710    HG3  LYS  93           2HG      LYS  93   3.521  11.273   3.806
  711    HD2  LYS  93           1HD      LYS  93   3.052  13.125   2.267
  712    HD3  LYS  93           2HD      LYS  93   1.671  13.642   3.247
  713    HE2  LYS  93           1HE      LYS  93   4.602  13.593   4.097
  714    HE3  LYS  93           2HE      LYS  93   3.742  15.018   3.518
  715    HZ1  LYS  93           3HZ      LYS  93   3.831  14.974   5.917
  716    HZ2  LYS  93           1HZ      LYS  93   2.266  14.829   5.453
  717    HZ3  LYS  93           2HZ      LYS  93   3.106  13.525   6.003
  718    H    ILE  94           H        ILE  94   2.580   8.325   1.031
  719    HA   ILE  94           HA       ILE  94   5.462   8.871   0.759
  720    HB   ILE  94           HB       ILE  94   3.820   6.407   0.052
  721   HG12  ILE  94          1HG1      ILE  94   5.727   6.846   2.379
  722   HG13  ILE  94          2HG1      ILE  94   4.005   7.093   2.540
  723   HG21  ILE  94          1HG2      ILE  94   5.841   6.504  -1.313
  724   HG22  ILE  94          2HG2      ILE  94   6.820   6.956   0.092
  725   HG23  ILE  94          3HG2      ILE  94   6.111   5.323  -0.033
  726   HD11  ILE  94          3HD1      ILE  94   4.506   4.909   3.380
  727   HD12  ILE  94          1HD1      ILE  94   3.598   4.715   1.871
  728   HD13  ILE  94          2HD1      ILE  94   5.359   4.449   1.899
  729    H    TYR  95           H        TYR  95   2.834   8.122  -1.598
  730    HA   TYR  95           HA       TYR  95   4.354   8.295  -3.926
  731    HB2  TYR  95           1HB      TYR  95   2.370   7.402  -4.379
  732    HB3  TYR  95           2HB      TYR  95   1.504   8.362  -3.202
  733    HD1  TYR  95           2HD      TYR  95   0.870  10.775  -3.752
  734    HD2  TYR  95           1HD      TYR  95   2.112   7.886  -6.703
  735    HE1  TYR  95           2HE      TYR  95  -0.207  12.133  -5.534
  736    HE2  TYR  95           1HE      TYR  95   1.055   9.248  -8.487
  737    HH   TYR  95           HH       TYR  95  -0.155  11.151  -8.984
  738    H    LYS  96           H        LYS  96   3.098  10.971  -2.051
  739    HA   LYS  96           HA       LYS  96   3.610  13.174  -3.764
  740    HB2  LYS  96           1HB      LYS  96   3.625  12.648  -0.782
  741    HB3  LYS  96           2HB      LYS  96   4.129  14.234  -1.384
  742    HG2  LYS  96           1HG      LYS  96   1.994  14.468  -2.636
  743    HG3  LYS  96           2HG      LYS  96   1.431  12.932  -1.966
  744    HD2  LYS  96           1HD      LYS  96   1.656  13.875   0.332
  745    HD3  LYS  96           2HD      LYS  96   2.164  15.421  -0.346
  746    HE2  LYS  96           1HE      LYS  96  -0.517  14.060  -0.911
  747    HE3  LYS  96           2HE      LYS  96  -0.267  15.281   0.338
  748    HZ1  LYS  96           3HZ      LYS  96  -1.124  16.289  -1.670
  749    HZ2  LYS  96           1HZ      LYS  96   0.384  16.852  -1.400
  750    HZ3  LYS  96           2HZ      LYS  96   0.120  15.735  -2.568
  751    H    ARG  97           H        ARG  97   5.957  11.139  -2.140
  752    HA   ARG  97           HA       ARG  97   8.220  12.925  -2.995
  753    HB2  ARG  97           1HB      ARG  97   8.114  10.937  -0.745
  754    HB3  ARG  97           2HB      ARG  97   9.539  11.828  -1.309
  755    HG2  ARG  97           1HG      ARG  97   8.173  13.998  -0.920
  756    HG3  ARG  97           2HG      ARG  97   7.008  12.968  -0.051
  757    HD2  ARG  97           1HD      ARG  97   9.046  12.075   1.215
  758    HD3  ARG  97           2HD      ARG  97   9.957  13.415   0.541
  759    HE   ARG  97           HE       ARG  97   8.919  14.905   1.968
  760   HH11  ARG  97          1HH1      ARG  97   7.001  11.930   2.133
  761   HH12  ARG  97          2HH1      ARG  97   6.405  12.312   3.733
  762   HH21  ARG  97          1HH2      ARG  97   8.007  15.367   3.969
  763   HH22  ARG  97          2HH2      ARG  97   6.938  14.220   4.733
  764    H    HIS  98           H        HIS  98   6.970   9.621  -2.952
  765    HA   HIS  98           HA       HIS  98   8.810   8.735  -5.129
  766    HB2  HIS  98           1HB      HIS  98   8.335   7.376  -2.442
  767    HB3  HIS  98           2HB      HIS  98   9.161   6.637  -3.808
  768    HD2  HIS  98           2HD      HIS  98   9.778   8.784  -0.808
  769    HE1  HIS  98           1HE      HIS  98  13.373   9.001  -3.079
  770    HE2  HIS  98           2HE      HIS  98  12.302   9.535  -0.829
  771    H    ARG  99           H        ARG  99   6.889   9.014  -6.405
  772    HA   ARG  99           HA       ARG  99   4.376   8.306  -6.106
  773    HB2  ARG  99           1HB      ARG  99   4.004   7.970  -8.435
  774    HB3  ARG  99           2HB      ARG  99   4.940   9.403  -8.061
  775    HG2  ARG  99           1HG      ARG  99   6.306   6.824  -8.925
  776    HG3  ARG  99           2HG      ARG  99   5.589   7.917 -10.099
  777    HD2  ARG  99           1HD      ARG  99   7.008   9.699  -9.536
  778    HD3  ARG  99           2HD      ARG  99   7.538   8.996  -8.049
  779    HE   ARG  99           HE       ARG  99   8.967   7.525  -8.976
  780   HH11  ARG  99          1HH1      ARG  99   7.449   9.230 -11.697
  781   HH12  ARG  99          2HH1      ARG  99   8.612   8.595 -12.824
  782   HH21  ARG  99          1HH2      ARG  99  10.342   6.779 -10.372
  783   HH22  ARG  99          2HH2      ARG  99  10.283   7.197 -12.078
  784    H    PHE 100           H        PHE 100   6.741   5.915  -7.190
  785    HA   PHE 100           HA       PHE 100   5.168   3.684  -5.997
  786    HB2  PHE 100           1HB      PHE 100   6.400   3.621  -8.767
  787    HB3  PHE 100           2HB      PHE 100   5.552   2.315  -7.944
  788    HD1  PHE 100           1HD      PHE 100   3.083   2.786  -7.211
  789    HD2  PHE 100           2HD      PHE 100   5.173   4.949 -10.299
  790    HE1  PHE 100           1HE      PHE 100   0.928   3.453  -8.196
  791    HE2  PHE 100           2HE      PHE 100   2.999   5.637 -11.280
  792    HZ   PHE 100           HZ       PHE 100   0.869   4.887 -10.231
  793    H    ASP 101           H        ASP 101   8.109   5.310  -6.259
  794    HA   ASP 101           HA       ASP 101   9.973   3.223  -6.656
  795    HB2  ASP 101           1HB      ASP 101  10.668   5.878  -5.406
  796    HB3  ASP 101           2HB      ASP 101  11.579   4.925  -6.565
  797    H    ALA 102           H        ALA 102   8.365   4.198  -3.783
  798    HA   ALA 102           HA       ALA 102  10.425   3.413  -1.872
  799    HB1  ALA 102           1HB      ALA 102   8.765   5.179  -1.396
  800    HB2  ALA 102           2HB      ALA 102   7.448   3.991  -1.550
  801    HB3  ALA 102           3HB      ALA 102   8.626   3.852  -0.231
  802    H    TRP 103           H        TRP 103   8.454   1.561  -3.861
  803    HA   TRP 103           HA       TRP 103   8.323  -0.753  -1.961
  804    HB2  TRP 103           1HB      TRP 103   6.522   0.080  -4.270
  805    HB3  TRP 103           2HB      TRP 103   6.378  -1.436  -3.393
  806    HD1  TRP 103           HD       TRP 103   5.640  -1.329  -0.826
  807    HE1  TRP 103           1HE      TRP 103   4.116   0.266   0.423
  808    HE3  TRP 103           3HE      TRP 103   5.902   2.666  -4.006
  809    HZ2  TRP 103           2HZ      TRP 103   2.992   2.926   0.021
  810    HZ3  TRP 103           3HZ      TRP 103   4.579   4.716  -3.566
  811    HH2  TRP 103           HH       TRP 103   3.083   4.839  -1.585
  812    H    TYR 104           H        TYR 104   8.697  -2.817  -2.666
  813    HA   TYR 104           HA       TYR 104  10.880  -2.879  -4.659
  814    HB2  TYR 104           1HB      TYR 104  11.168  -3.698  -2.300
  815    HB3  TYR 104           2HB      TYR 104  10.046  -5.010  -2.668
  816    HD1  TYR 104           2HD      TYR 104  13.236  -3.395  -3.689
  817    HD2  TYR 104           1HD      TYR 104  10.826  -6.955  -3.884
  818    HE1  TYR 104           2HE      TYR 104  15.121  -4.600  -4.809
  819    HE2  TYR 104           1HE      TYR 104  12.699  -8.172  -4.998
  820    HH   TYR 104           HH       TYR 104  15.834  -6.584  -5.737
  821    H    GLY 105           H        GLY 105   7.748  -4.506  -4.040
  822    HA2  GLY 105           1HA      GLY 105   7.914  -6.416  -6.172
  823    HA3  GLY 105           2HA      GLY 105   6.418  -5.810  -5.412
  824    H    TRP 106           H        TRP 106   6.998  -3.006  -6.163
  825    HA   TRP 106           HA       TRP 106   5.894  -2.933  -8.801
  826    HB2  TRP 106           1HB      TRP 106   5.392  -1.227  -7.226
  827    HB3  TRP 106           2HB      TRP 106   7.092  -0.788  -7.049
  828    HD1  TRP 106           HD       TRP 106   4.152  -0.461  -9.488
  829    HE1  TRP 106           1HE      TRP 106   4.699   1.327 -11.245
  830    HE3  TRP 106           3HE      TRP 106   9.020   0.419  -8.225
  831    HZ2  TRP 106           2HZ      TRP 106   7.013   2.882 -12.063
  832    HZ3  TRP 106           3HZ      TRP 106  10.408   1.979  -9.531
  833    HH2  TRP 106           HH       TRP 106   9.414   3.246 -11.451
  834    H    LYS 107           H        LYS 107   9.263  -2.352  -7.657
  835    HA   LYS 107           HA       LYS 107  10.169  -1.969 -10.435
  836    HB2  LYS 107           1HB      LYS 107  12.385  -1.637  -9.484
  837    HB3  LYS 107           2HB      LYS 107  11.166  -0.560  -8.811
  838    HG2  LYS 107           1HG      LYS 107  11.051  -1.851  -6.764
  839    HG3  LYS 107           2HG      LYS 107  12.115  -3.102  -7.431
  840    HD2  LYS 107           1HD      LYS 107  13.477  -1.791  -5.980
  841    HD3  LYS 107           2HD      LYS 107  13.931  -1.375  -7.626
  842    HE2  LYS 107           1HE      LYS 107  13.856   0.682  -6.456
  843    HE3  LYS 107           2HE      LYS 107  12.398   0.663  -7.451
  844    HZ1  LYS 107           3HZ      LYS 107  11.937   1.383  -5.167
  845    HZ2  LYS 107           1HZ      LYS 107  11.148  -0.022  -5.452
  846    HZ3  LYS 107           2HZ      LYS 107  12.524  -0.010  -4.556
  847    H    ASN 108           H        ASN 108   9.851  -4.702  -8.326
  848    HA   ASN 108           HA       ASN 108  11.747  -6.330  -9.869
  849    HB2  ASN 108           1HB      ASN 108  11.513  -6.361  -7.363
  850    HB3  ASN 108           2HB      ASN 108   9.945  -7.148  -7.569
  851   HD21  ASN 108          2HD2      ASN 108  13.475  -7.478  -8.173
  852   HD22  ASN 108          1HD2      ASN 108  13.446  -9.228  -8.269
  853    H    HIS 109           H        HIS 109   8.225  -5.921  -9.787
  854    HA   HIS 109           HA       HIS 109   7.961  -8.052 -11.899
  855    HB2  HIS 109           1HB      HIS 109   6.013  -7.382  -9.665
  856    HB3  HIS 109           2HB      HIS 109   5.774  -8.575 -10.935
  857    HD2  HIS 109           2HD      HIS 109   7.211  -8.185  -7.507
  858    HE1  HIS 109           1HE      HIS 109   8.474 -12.031  -8.820
  859    HE2  HIS 109           2HE      HIS 109   8.305 -10.476  -6.811
  860    H    CYS 110           H        CYS 110   6.386  -5.043 -10.657
  861    HA   CYS 110           HA       CYS 110   4.495  -4.926 -12.785
  862    HB2  CYS 110           1HB      CYS 110   5.414  -2.618 -11.046
  863    HB3  CYS 110           2HB      CYS 110   3.906  -2.751 -11.921
  864    H    GLN 111           H        GLN 111   7.783  -4.203 -13.057
  865    HA   GLN 111           HA       GLN 111   7.604  -2.148 -15.135
  866    HB2  GLN 111           1HB      GLN 111   9.883  -4.088 -14.552
  867    HB3  GLN 111           2HB      GLN 111   9.974  -2.586 -15.466
  868    HG2  GLN 111           1HG      GLN 111   9.504  -2.885 -12.477
  869    HG3  GLN 111           2HG      GLN 111  10.953  -2.286 -13.262
  870   HE21  GLN 111          2HE2      GLN 111   8.137  -1.278 -11.687
  871   HE22  GLN 111          1HE2      GLN 111   8.168   0.381 -12.268
  872    H    GLY 112           H        GLY 112   7.336  -5.666 -15.084
  873    HA2  GLY 112           1HA      GLY 112   7.874  -5.969 -17.975
  874    HA3  GLY 112           2HA      GLY 112   7.484  -7.243 -16.797
  875    H    SER 113           H        SER 113   5.100  -6.428 -15.745
  876    HA   SER 113           HA       SER 113   3.137  -6.080 -17.944
  877    HB2  SER 113           1HB      SER 113   3.387  -8.609 -16.261
  878    HB3  SER 113           2HB      SER 113   1.996  -8.200 -17.272
  879    HG   SER 113           HG       SER 113   3.475  -9.621 -18.335
  880    H    LEU 114           H        LEU 114   1.175  -5.297 -17.251
  881    HA   LEU 114           HA       LEU 114   0.576  -5.203 -14.333
  882    HB2  LEU 114           1HB      LEU 114  -0.134  -3.281 -16.591
  883    HB3  LEU 114           2HB      LEU 114  -0.757  -3.165 -14.953
  884    HG   LEU 114           HG       LEU 114   2.202  -2.948 -15.671
  885   HD11  LEU 114          1HD1      LEU 114   0.832  -1.130 -16.624
  886   HD12  LEU 114          2HD1      LEU 114   0.185  -0.770 -15.003
  887   HD13  LEU 114          3HD1      LEU 114   1.917  -0.554 -15.348
  888   HD21  LEU 114          3HD2      LEU 114   2.351  -1.945 -13.364
  889   HD22  LEU 114          1HD2      LEU 114   0.674  -2.455 -13.074
  890   HD23  LEU 114          2HD2      LEU 114   1.943  -3.667 -13.357
  891    HA   PRO 115           HA       PRO 115  -3.119  -7.474 -15.478
  892    HB2  PRO 115           1HB      PRO 115  -4.755  -7.005 -13.374
  893    HB3  PRO 115           2HB      PRO 115  -3.234  -7.939 -13.192
  894    HG2  PRO 115           1HG      PRO 115  -3.694  -4.992 -12.608
  895    HG3  PRO 115           2HG      PRO 115  -2.924  -6.223 -11.551
  896    HD2  PRO 115           1HD      PRO 115  -1.473  -4.547 -13.160
  897    HD3  PRO 115           2HD      PRO 115  -0.960  -6.236 -12.838
  898    H    ASP 116           H        ASP 116  -5.377  -7.159 -16.071
  899    HA   ASP 116           HA       ASP 116  -6.008  -4.487 -17.102
  900    HB2  ASP 116           1HB      ASP 116  -6.443  -6.491 -18.450
  901    HB3  ASP 116           2HB      ASP 116  -7.523  -7.117 -17.202
  902    H    ILE 117           H        ILE 117  -7.796  -3.314 -16.607
  903    HA   ILE 117           HA       ILE 117  -9.299  -3.818 -14.071
  904    HB   ILE 117           HB       ILE 117  -9.104  -1.436 -13.492
  905   HG12  ILE 117          1HG1      ILE 117  -6.996  -1.229 -15.696
  906   HG13  ILE 117          2HG1      ILE 117  -8.652  -0.645 -15.863
  907   HG21  ILE 117          1HG2      ILE 117  -7.571  -3.137 -12.504
  908   HG22  ILE 117          2HG2      ILE 117  -6.357  -2.735 -13.729
  909   HG23  ILE 117          3HG2      ILE 117  -6.870  -1.516 -12.545
  910   HD11  ILE 117          3HD1      ILE 117  -7.222   1.190 -15.314
  911   HD12  ILE 117          1HD1      ILE 117  -8.312   0.879 -13.943
  912   HD13  ILE 117          2HD1      ILE 117  -6.608   0.349 -13.879
  913    H    SER 118           H        SER 118  -9.554  -3.201 -17.401
  914    HA   SER 118           HA       SER 118 -11.728  -1.326 -17.390
  915    HB2  SER 118           1HB      SER 118 -10.857  -3.350 -19.479
  916    HB3  SER 118           2HB      SER 118 -12.030  -2.048 -19.744
  917    HG   SER 118           HG       SER 118  -9.867  -1.480 -20.393
  918    H    SER 119           H        SER 119 -11.784  -4.594 -16.423
  919    HA   SER 119           HA       SER 119 -14.660  -5.036 -16.920
  920    HB2  SER 119           1HB      SER 119 -14.176  -7.118 -15.610
  921    HB3  SER 119           2HB      SER 119 -13.212  -6.935 -17.086
  922    HG   SER 119           HG       SER 119 -11.935  -7.600 -15.273
  923    H    CYS 120           H        CYS 120 -12.818  -3.323 -14.615
  924    HA   CYS 120           HA       CYS 120 -14.553  -3.900 -12.301
  925    HB2  CYS 120           1HB      CYS 120 -12.110  -2.130 -12.538
  926    HB3  CYS 120           2HB      CYS 120 -12.868  -2.688 -11.051
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  -8.579  -8.147  10.591
    2    H2   GLY   1           2H       GLY   1  -7.138  -8.674   9.995
    3    H3   GLY   1           3H       GLY   1  -7.235  -7.200  10.710
    4    HA2  GLY   1           1HA      GLY   1  -8.612  -6.338   8.970
    5    HA3  GLY   1           2HA      GLY   1  -7.086  -6.994   8.341
    6    H    LYS   2           H        LYS   2  -7.970  -7.316   6.293
    7    HA   LYS   2           HA       LYS   2  -9.327  -9.852   5.859
    8    HB2  LYS   2           1HB      LYS   2 -11.252  -9.015   4.722
    9    HB3  LYS   2           2HB      LYS   2 -11.210  -8.254   6.311
   10    HG2  LYS   2           1HG      LYS   2 -10.285  -6.179   5.321
   11    HG3  LYS   2           2HG      LYS   2 -10.290  -6.924   3.719
   12    HD2  LYS   2           1HD      LYS   2 -12.785  -6.467   5.398
   13    HD3  LYS   2           2HD      LYS   2 -12.200  -5.389   4.122
   14    HE2  LYS   2           1HE      LYS   2 -12.364  -7.238   2.466
   15    HE3  LYS   2           2HE      LYS   2 -13.016  -8.299   3.722
   16    HZ1  LYS   2           3HZ      LYS   2 -14.785  -7.299   2.409
   17    HZ2  LYS   2           1HZ      LYS   2 -14.893  -6.769   3.950
   18    HZ3  LYS   2           2HZ      LYS   2 -14.291  -5.788   2.786
   19    H    THR   3           H        THR   3  -9.598 -10.325   3.522
   20    HA   THR   3           HA       THR   3  -7.399  -9.155   1.877
   21    HB   THR   3           HB       THR   3  -8.659 -11.864   1.412
   22    HG1  THR   3           1HG      THR   3  -6.614 -11.123   3.228
   23   HG21  THR   3          3HG2      THR   3  -6.407 -12.299   0.397
   24   HG22  THR   3          1HG2      THR   3  -7.292 -11.005  -0.421
   25   HG23  THR   3          2HG2      THR   3  -5.973 -10.601   0.695
   26    H    PHE   4           H        PHE   4  -7.801  -8.355  -0.075
   27    HA   PHE   4           HA       PHE   4 -10.627  -8.126  -1.004
   28    HB2  PHE   4           1HB      PHE   4  -8.142  -6.461  -1.615
   29    HB3  PHE   4           2HB      PHE   4  -9.686  -6.199  -2.356
   30    HD1  PHE   4           1HD      PHE   4  -8.079  -6.247   1.078
   31    HD2  PHE   4           2HD      PHE   4 -11.310  -4.771  -1.390
   32    HE1  PHE   4           1HE      PHE   4  -8.929  -4.908   2.966
   33    HE2  PHE   4           2HE      PHE   4 -12.144  -3.442   0.510
   34    HZ   PHE   4           HZ       PHE   4 -10.974  -3.521   2.705
   35    H    THR   5           H        THR   5 -11.044  -8.172  -3.268
   36    HA   THR   5           HA       THR   5  -9.217  -9.842  -4.961
   37    HB   THR   5           HB       THR   5 -11.489 -10.784  -4.629
   38    HG1  THR   5           1HG      THR   5 -11.686 -11.185  -6.831
   39   HG21  THR   5          3HG2      THR   5 -13.415  -9.803  -5.739
   40   HG22  THR   5          1HG2      THR   5 -12.808  -8.633  -4.560
   41   HG23  THR   5          2HG2      THR   5 -12.465  -8.415  -6.294
   42    H    ARG   6           H        ARG   6  -9.185  -9.078  -7.307
   43    HA   ARG   6           HA       ARG   6  -8.025  -6.502  -7.243
   44    HB2  ARG   6           1HB      ARG   6  -7.495  -8.318  -8.859
   45    HB3  ARG   6           2HB      ARG   6  -8.987  -7.957  -9.737
   46    HG2  ARG   6           1HG      ARG   6  -8.198  -5.654 -10.180
   47    HG3  ARG   6           2HG      ARG   6  -6.747  -5.935  -9.205
   48    HD2  ARG   6           1HD      ARG   6  -7.483  -7.422 -11.756
   49    HD3  ARG   6           2HD      ARG   6  -6.337  -6.080 -11.649
   50    HE   ARG   6           HE       ARG   6  -5.162  -7.648  -9.881
   51   HH11  ARG   6          1HH1      ARG   6  -6.710  -8.917 -12.819
   52   HH12  ARG   6          2HH1      ARG   6  -5.613 -10.262 -12.896
   53   HH21  ARG   6          1HH2      ARG   6  -3.709  -9.231 -10.159
   54   HH22  ARG   6          2HH2      ARG   6  -3.938 -10.467 -11.382
   55    H    CYS   7           H        CYS   7 -11.244  -7.396  -8.608
   56    HA   CYS   7           HA       CYS   7 -12.012  -4.738  -9.342
   57    HB2  CYS   7           1HB      CYS   7 -13.121  -6.831 -10.093
   58    HB3  CYS   7           2HB      CYS   7 -13.770  -7.064  -8.469
   59    H    GLY   8           H        GLY   8 -12.324  -6.415  -6.216
   60    HA2  GLY   8           1HA      GLY   8 -13.826  -4.370  -4.850
   61    HA3  GLY   8           2HA      GLY   8 -12.809  -5.623  -4.094
   62    H    LEU   9           H        LEU   9 -10.273  -5.028  -5.014
   63    HA   LEU   9           HA       LEU   9  -9.496  -2.728  -3.522
   64    HB2  LEU   9           1HB      LEU   9  -8.113  -4.772  -3.936
   65    HB3  LEU   9           2HB      LEU   9  -7.976  -4.321  -5.640
   66    HG   LEU   9           HG       LEU   9  -6.865  -2.202  -4.967
   67   HD11  LEU   9          1HD1      LEU   9  -7.741  -1.830  -2.739
   68   HD12  LEU   9          2HD1      LEU   9  -7.079  -3.374  -2.169
   69   HD13  LEU   9          3HD1      LEU   9  -5.991  -2.025  -2.601
   70   HD21  LEU   9          3HD2      LEU   9  -4.721  -3.135  -4.447
   71   HD22  LEU   9          1HD2      LEU   9  -5.456  -4.605  -3.771
   72   HD23  LEU   9          2HD2      LEU   9  -5.557  -4.270  -5.516
   73    H    VAL  10           H        VAL  10  -9.731  -3.149  -7.105
   74    HA   VAL  10           HA       VAL  10  -8.955  -0.568  -7.900
   75    HB   VAL  10           HB       VAL  10 -11.110  -2.395  -9.030
   76   HG11  VAL  10          1HG1      VAL  10 -11.821  -0.229  -9.790
   77   HG12  VAL  10          2HG1      VAL  10 -10.165   0.267 -10.151
   78   HG13  VAL  10          3HG1      VAL  10 -10.961  -0.973 -11.134
   79   HG21  VAL  10          3HG2      VAL  10  -9.523  -2.827 -10.813
   80   HG22  VAL  10          1HG2      VAL  10  -8.380  -1.640 -10.147
   81   HG23  VAL  10          2HG2      VAL  10  -8.724  -3.136  -9.271
   82    H    HIS  11           H        HIS  11 -12.170  -1.619  -6.768
   83    HA   HIS  11           HA       HIS  11 -13.426   0.984  -6.939
   84    HB2  HIS  11           1HB      HIS  11 -14.146  -1.554  -5.429
   85    HB3  HIS  11           2HB      HIS  11 -15.151  -0.117  -5.464
   86    HD2  HIS  11           2HD      HIS  11 -13.792  -0.417  -8.901
   87    HE1  HIS  11           1HE      HIS  11 -17.451  -2.589  -8.981
   88    HE2  HIS  11           2HE      HIS  11 -15.654  -1.519 -10.417
   89    H    GLU  12           H        GLU  12 -11.933  -0.766  -4.196
   90    HA   GLU  12           HA       GLU  12 -12.604   1.142  -2.188
   91    HB2  GLU  12           1HB      GLU  12 -11.640  -1.351  -2.147
   92    HB3  GLU  12           2HB      GLU  12 -10.100  -0.538  -2.036
   93    HG2  GLU  12           1HG      GLU  12 -11.008  -1.193   0.143
   94    HG3  GLU  12           2HG      GLU  12 -10.810   0.567   0.021
   95    H    LEU  13           H        LEU  13  -9.744   0.899  -4.284
   96    HA   LEU  13           HA       LEU  13  -8.427   3.245  -3.163
   97    HB2  LEU  13           1HB      LEU  13  -8.134   1.824  -5.819
   98    HB3  LEU  13           2HB      LEU  13  -6.986   2.996  -5.181
   99    HG   LEU  13           HG       LEU  13  -7.632   0.347  -3.883
  100   HD11  LEU  13          1HD1      LEU  13  -6.507   0.053  -6.014
  101   HD12  LEU  13          2HD1      LEU  13  -5.275   1.261  -5.563
  102   HD13  LEU  13          3HD1      LEU  13  -5.364  -0.292  -4.697
  103   HD21  LEU  13          3HD2      LEU  13  -5.664   0.740  -2.496
  104   HD22  LEU  13          1HD2      LEU  13  -5.441   2.349  -3.239
  105   HD23  LEU  13          2HD2      LEU  13  -6.865   2.007  -2.230
  106    H    ARG  14           H        ARG  14 -10.580   2.750  -5.969
  107    HA   ARG  14           HA       ARG  14 -10.600   5.472  -6.890
  108    HB2  ARG  14           1HB      ARG  14 -12.671   3.268  -7.008
  109    HB3  ARG  14           2HB      ARG  14 -13.011   4.880  -7.632
  110    HG2  ARG  14           1HG      ARG  14 -11.302   4.760  -9.284
  111    HG3  ARG  14           2HG      ARG  14 -10.602   3.296  -8.567
  112    HD2  ARG  14           1HD      ARG  14 -12.581   2.004  -9.080
  113    HD3  ARG  14           2HD      ARG  14 -13.419   3.447  -9.703
  114    HE   ARG  14           HE       ARG  14 -11.022   3.117 -11.161
  115   HH11  ARG  14          1HH1      ARG  14 -14.156   1.490 -10.813
  116   HH12  ARG  14          2HH1      ARG  14 -13.971   0.624 -12.324
  117   HH21  ARG  14          1HH2      ARG  14 -10.942   1.998 -13.182
  118   HH22  ARG  14          2HH2      ARG  14 -12.259   0.936 -13.606
  119    H    LYS  15           H        LYS  15 -12.534   3.919  -4.294
  120    HA   LYS  15           HA       LYS  15 -14.009   6.271  -3.495
  121    HB2  LYS  15           1HB      LYS  15 -13.197   3.701  -2.084
  122    HB3  LYS  15           2HB      LYS  15 -14.183   4.936  -1.310
  123    HG2  LYS  15           1HG      LYS  15 -16.011   4.597  -2.750
  124    HG3  LYS  15           2HG      LYS  15 -15.047   3.768  -3.971
  125    HD2  LYS  15           1HD      LYS  15 -16.498   2.202  -2.734
  126    HD3  LYS  15           2HD      LYS  15 -14.786   1.811  -2.571
  127    HE2  LYS  15           1HE      LYS  15 -14.763   2.954  -0.336
  128    HE3  LYS  15           2HE      LYS  15 -16.504   3.237  -0.491
  129    HZ1  LYS  15           3HZ      LYS  15 -16.019   1.240   0.797
  130    HZ2  LYS  15           1HZ      LYS  15 -16.789   0.804  -0.583
  131    HZ3  LYS  15           2HZ      LYS  15 -15.166   0.576  -0.420
  132    H    HIS  16           H        HIS  16 -10.787   5.096  -2.657
  133    HA   HIS  16           HA       HIS  16 -10.424   7.119  -0.562
  134    HB2  HIS  16           1HB      HIS  16  -8.736   4.765  -1.496
  135    HB3  HIS  16           2HB      HIS  16  -8.325   5.831  -0.153
  136    HD2  HIS  16           2HD      HIS  16  -8.460   3.153   0.883
  137    HE1  HIS  16           1HE      HIS  16 -12.553   3.551   1.898
  138    HE2  HIS  16           2HE      HIS  16 -10.467   2.228   2.355
  139    H    GLY  17           H        GLY  17 -10.086   7.472  -3.789
  140    HA2  GLY  17           1HA      GLY  17  -9.369   9.470  -4.776
  141    HA3  GLY  17           2HA      GLY  17  -8.346   9.828  -3.367
  142    H    PHE  18           H        PHE  18  -8.270   6.844  -5.336
  143    HA   PHE  18           HA       PHE  18  -5.518   7.509  -6.292
  144    HB2  PHE  18           1HB      PHE  18  -7.072   4.937  -6.104
  145    HB3  PHE  18           2HB      PHE  18  -5.527   5.077  -6.917
  146    HD1  PHE  18           2HD      PHE  18  -7.039   5.861  -3.512
  147    HD2  PHE  18           1HD      PHE  18  -3.628   4.471  -5.737
  148    HE1  PHE  18           2HE      PHE  18  -5.832   5.504  -1.419
  149    HE2  PHE  18           1HE      PHE  18  -2.423   4.038  -3.614
  150    HZ   PHE  18           HZ       PHE  18  -3.515   4.547  -1.446
  151    H    GLU  19           H        GLU  19  -5.115   7.723  -8.476
  152    HA   GLU  19           HA       GLU  19  -7.376   8.456 -10.136
  153    HB2  GLU  19           1HB      GLU  19  -4.449   8.240 -10.901
  154    HB3  GLU  19           2HB      GLU  19  -5.712   9.111 -11.772
  155    HG2  GLU  19           1HG      GLU  19  -4.644   9.825  -9.009
  156    HG3  GLU  19           2HG      GLU  19  -4.205  10.594 -10.523
  157    H    GLU  20           H        GLU  20  -8.186   7.491 -11.986
  158    HA   GLU  20           HA       GLU  20  -8.071   4.647 -12.101
  159    HB2  GLU  20           1HB      GLU  20  -9.514   4.811 -14.026
  160    HB3  GLU  20           2HB      GLU  20 -10.091   5.752 -12.663
  161    HG2  GLU  20           1HG      GLU  20  -8.486   7.146 -14.830
  162    HG3  GLU  20           2HG      GLU  20 -10.142   6.656 -15.139
  163    H    ASN  21           H        ASN  21  -6.105   7.025 -13.796
  164    HA   ASN  21           HA       ASN  21  -5.097   5.072 -15.737
  165    HB2  ASN  21           1HB      ASN  21  -3.772   6.818 -16.589
  166    HB3  ASN  21           2HB      ASN  21  -5.358   7.506 -16.271
  167   HD21  ASN  21          2HD2      ASN  21  -2.453   8.645 -16.394
  168   HD22  ASN  21          1HD2      ASN  21  -2.354   9.585 -14.916
  169    H    LEU  22           H        LEU  22  -4.358   5.893 -12.459
  170    HA   LEU  22           HA       LEU  22  -1.665   4.589 -12.581
  171    HB2  LEU  22           1HB      LEU  22  -3.091   6.012 -10.300
  172    HB3  LEU  22           2HB      LEU  22  -1.450   5.375 -10.268
  173    HG   LEU  22           HG       LEU  22  -2.451   7.702 -11.935
  174   HD11  LEU  22          1HD1      LEU  22  -2.186   8.170  -9.527
  175   HD12  LEU  22          2HD1      LEU  22  -0.513   7.572  -9.588
  176   HD13  LEU  22          3HD1      LEU  22  -0.975   9.036 -10.485
  177   HD21  LEU  22          3HD2      LEU  22  -0.081   8.070 -12.574
  178   HD22  LEU  22          1HD2      LEU  22   0.362   6.535 -11.803
  179   HD23  LEU  22          2HD2      LEU  22  -0.705   6.554 -13.226
  180    H    MET  23           H        MET  23  -4.953   3.975 -11.665
  181    HA   MET  23           HA       MET  23  -4.876   2.202  -9.643
  182    HB2  MET  23           1HB      MET  23  -6.814   3.143 -11.027
  183    HB3  MET  23           2HB      MET  23  -6.607   1.798 -12.110
  184    HG2  MET  23           1HG      MET  23  -8.420   1.388 -10.472
  185    HG3  MET  23           2HG      MET  23  -7.121   0.222 -10.242
  186    HE1  MET  23           3HE      MET  23  -8.203   3.826  -7.612
  187    HE2  MET  23           1HE      MET  23  -6.944   4.095  -8.841
  188    HE3  MET  23           2HE      MET  23  -8.568   3.580  -9.325
  189    H    ARG  24           H        ARG  24  -4.327   1.155 -13.054
  190    HA   ARG  24           HA       ARG  24  -3.920  -1.586 -12.599
  191    HB2  ARG  24           1HB      ARG  24  -2.523   0.209 -14.637
  192    HB3  ARG  24           2HB      ARG  24  -2.594  -1.557 -14.678
  193    HG2  ARG  24           1HG      ARG  24  -5.096  -1.419 -14.791
  194    HG3  ARG  24           2HG      ARG  24  -4.958   0.345 -14.900
  195    HD2  ARG  24           1HD      ARG  24  -5.231  -0.445 -17.122
  196    HD3  ARG  24           2HD      ARG  24  -3.536   0.047 -16.962
  197    HE   ARG  24           HE       ARG  24  -3.914  -2.759 -16.347
  198   HH11  ARG  24          1HH1      ARG  24  -3.744  -0.621 -19.163
  199   HH12  ARG  24          2HH1      ARG  24  -3.211  -1.899 -20.213
  200   HH21  ARG  24          1HH2      ARG  24  -3.148  -4.347 -17.747
  201   HH22  ARG  24          2HH2      ARG  24  -2.912  -3.977 -19.426
  202    H    ASN  25           H        ASN  25  -1.498   1.055 -12.324
  203    HA   ASN  25           HA       ASN  25   0.733  -0.697 -11.655
  204    HB2  ASN  25           1HB      ASN  25   0.262   2.293 -11.306
  205    HB3  ASN  25           2HB      ASN  25   1.697   1.474 -10.713
  206   HD21  ASN  25          2HD2      ASN  25   0.137   2.740 -13.589
  207   HD22  ASN  25          1HD2      ASN  25   1.451   2.320 -14.669
  208    H    TRP  26           H        TRP  26  -1.577   1.279  -9.704
  209    HA   TRP  26           HA       TRP  26  -0.450   0.636  -7.190
  210    HB2  TRP  26           1HB      TRP  26  -3.180   1.604  -8.073
  211    HB3  TRP  26           2HB      TRP  26  -2.840   1.242  -6.390
  212    HD1  TRP  26           HD       TRP  26  -2.736   4.070  -8.669
  213    HE1  TRP  26           1HE      TRP  26  -1.473   6.039  -7.626
  214    HE3  TRP  26           3HE      TRP  26  -0.291   1.573  -4.926
  215    HZ2  TRP  26           2HZ      TRP  26   0.208   6.513  -5.313
  216    HZ3  TRP  26           3HZ      TRP  26   1.127   2.808  -3.311
  217    HH2  TRP  26           HH       TRP  26   1.367   5.274  -3.477
  218    H    VAL  27           H        VAL  27  -3.261  -1.002  -8.809
  219    HA   VAL  27           HA       VAL  27  -3.505  -2.867  -6.633
  220    HB   VAL  27           HB       VAL  27  -4.949  -4.231  -7.894
  221   HG11  VAL  27          1HG1      VAL  27  -5.771  -2.013  -7.110
  222   HG12  VAL  27          2HG1      VAL  27  -5.512  -1.369  -8.741
  223   HG13  VAL  27          3HG1      VAL  27  -6.670  -2.681  -8.479
  224   HG21  VAL  27          3HG2      VAL  27  -5.430  -3.877 -10.315
  225   HG22  VAL  27          1HG2      VAL  27  -4.008  -2.812 -10.406
  226   HG23  VAL  27          2HG2      VAL  27  -3.822  -4.532  -9.983
  227    H    CYS  28           H        CYS  28  -1.548  -3.054  -9.631
  228    HA   CYS  28           HA       CYS  28  -0.708  -5.776  -9.238
  229    HB2  CYS  28           1HB      CYS  28  -0.642  -4.305 -11.311
  230    HB3  CYS  28           2HB      CYS  28   0.823  -3.577 -10.666
  231    H    LEU  29           H        LEU  29   0.696  -2.668  -8.228
  232    HA   LEU  29           HA       LEU  29   2.999  -3.637  -6.890
  233    HB2  LEU  29           1HB      LEU  29   2.564  -1.353  -7.645
  234    HB3  LEU  29           2HB      LEU  29   1.300  -1.145  -6.443
  235    HG   LEU  29           HG       LEU  29   4.246  -1.604  -5.813
  236   HD11  LEU  29          1HD1      LEU  29   3.829   0.506  -7.056
  237   HD12  LEU  29          2HD1      LEU  29   2.614   0.972  -5.840
  238   HD13  LEU  29          3HD1      LEU  29   4.326   0.809  -5.391
  239   HD21  LEU  29          3HD2      LEU  29   3.528  -0.566  -3.588
  240   HD22  LEU  29          1HD2      LEU  29   1.856  -0.892  -4.071
  241   HD23  LEU  29          2HD2      LEU  29   3.029  -2.223  -3.871
  242    H    VAL  30           H        VAL  30  -0.236  -2.814  -5.545
  243    HA   VAL  30           HA       VAL  30   0.238  -3.763  -2.914
  244    HB   VAL  30           HB       VAL  30  -2.296  -3.503  -4.555
  245   HG11  VAL  30          1HG1      VAL  30  -2.843  -5.240  -2.944
  246   HG12  VAL  30          2HG1      VAL  30  -2.079  -4.315  -1.632
  247   HG13  VAL  30          3HG1      VAL  30  -3.565  -3.727  -2.419
  248   HG21  VAL  30          3HG2      VAL  30  -2.685  -1.561  -3.116
  249   HG22  VAL  30          1HG2      VAL  30  -1.244  -1.949  -2.148
  250   HG23  VAL  30          2HG2      VAL  30  -1.071  -1.426  -3.831
  251    H    GLU  31           H        GLU  31  -0.865  -5.603  -5.803
  252    HA   GLU  31           HA       GLU  31  -1.362  -8.031  -4.353
  253    HB2  GLU  31           1HB      GLU  31  -0.872  -7.364  -7.281
  254    HB3  GLU  31           2HB      GLU  31  -1.055  -9.039  -6.748
  255    HG2  GLU  31           1HG      GLU  31  -3.258  -8.671  -5.919
  256    HG3  GLU  31           2HG      GLU  31  -3.151  -6.928  -6.133
  257    H    HIS  32           H        HIS  32   1.691  -6.706  -5.782
  258    HA   HIS  32           HA       HIS  32   3.105  -9.206  -5.311
  259    HB2  HIS  32           1HB      HIS  32   4.865  -8.253  -6.321
  260    HB3  HIS  32           2HB      HIS  32   3.610  -7.215  -6.989
  261    HD2  HIS  32           2HD      HIS  32   5.962  -7.054  -3.870
  262    HE1  HIS  32           1HE      HIS  32   5.779  -3.180  -5.589
  263    HE2  HIS  32           2HE      HIS  32   6.682  -4.549  -3.638
  264    H    GLU  33           H        GLU  33   2.517  -6.233  -3.522
  265    HA   GLU  33           HA       GLU  33   4.508  -6.715  -1.497
  266    HB2  GLU  33           1HB      GLU  33   2.270  -4.756  -1.934
  267    HB3  GLU  33           2HB      GLU  33   3.002  -4.841  -0.340
  268    HG2  GLU  33           1HG      GLU  33   4.313  -4.055  -2.926
  269    HG3  GLU  33           2HG      GLU  33   4.002  -3.053  -1.529
  270    H    SER  34           H        SER  34   0.902  -6.564  -1.015
  271    HA   SER  34           HA       SER  34   1.270  -8.381   1.348
  272    HB2  SER  34           1HB      SER  34  -0.780  -7.421   2.181
  273    HB3  SER  34           2HB      SER  34   0.345  -6.117   1.786
  274    HG   SER  34           HG       SER  34  -0.990  -5.419   0.319
  275    H    SER  35           H        SER  35   0.101  -8.455  -1.821
  276    HA   SER  35           HA       SER  35  -1.292  -9.752  -3.025
  277    HB2  SER  35           1HB      SER  35  -1.701 -11.599  -0.663
  278    HB3  SER  35           2HB      SER  35  -2.000 -11.928  -2.368
  279    HG   SER  35           HG       SER  35   0.306 -11.681  -2.716
  280    H    ARG  36           H        ARG  36  -2.209  -7.465  -1.428
  281    HA   ARG  36           HA       ARG  36  -4.044  -6.288  -1.067
  282    HB2  ARG  36           1HB      ARG  36  -5.976  -8.394  -1.974
  283    HB3  ARG  36           2HB      ARG  36  -6.052  -6.631  -2.072
  284    HG2  ARG  36           1HG      ARG  36  -4.306  -6.774  -3.918
  285    HG3  ARG  36           2HG      ARG  36  -4.496  -8.530  -3.837
  286    HD2  ARG  36           1HD      ARG  36  -7.129  -7.846  -3.956
  287    HD3  ARG  36           2HD      ARG  36  -6.464  -6.442  -4.757
  288    HE   ARG  36           HE       ARG  36  -5.841  -7.731  -6.561
  289   HH11  ARG  36          1HH1      ARG  36  -6.909 -10.010  -4.039
  290   HH12  ARG  36          2HH1      ARG  36  -6.694 -11.369  -5.106
  291   HH21  ARG  36          1HH2      ARG  36  -5.593  -9.428  -7.788
  292   HH22  ARG  36          2HH2      ARG  36  -6.036 -11.051  -7.273
  293    H    ASP  37           H        ASP  37  -2.980  -7.850   1.005
  294    HA   ASP  37           HA       ASP  37  -5.418  -8.555   2.637
  295    HB2  ASP  37           1HB      ASP  37  -4.101 -10.555   2.054
  296    HB3  ASP  37           2HB      ASP  37  -2.671  -9.824   2.778
  297    H    THR  38           H        THR  38  -5.825  -7.056   4.155
  298    HA   THR  38           HA       THR  38  -3.798  -5.141   4.949
  299    HB   THR  38           HB       THR  38  -5.374  -4.309   6.610
  300    HG1  THR  38           1HG      THR  38  -7.316  -5.189   6.862
  301   HG21  THR  38          3HG2      THR  38  -7.196  -3.611   5.134
  302   HG22  THR  38          1HG2      THR  38  -5.630  -3.494   4.324
  303   HG23  THR  38          2HG2      THR  38  -6.739  -4.848   3.945
  304    H    SER  39           H        SER  39  -4.822  -8.234   6.228
  305    HA   SER  39           HA       SER  39  -3.739  -7.915   8.891
  306    HB2  SER  39           1HB      SER  39  -4.439 -10.393   7.277
  307    HB3  SER  39           2HB      SER  39  -4.088 -10.363   9.007
  308    HG   SER  39           HG       SER  39  -6.360 -10.341   8.422
  309    H    LYS  40           H        LYS  40  -2.072  -8.177   5.961
  310    HA   LYS  40           HA       LYS  40  -0.118 -10.145   6.717
  311    HB2  LYS  40           1HB      LYS  40  -0.956  -9.498   4.369
  312    HB3  LYS  40           2HB      LYS  40   0.057  -8.084   4.492
  313    HG2  LYS  40           1HG      LYS  40   1.271  -9.732   3.255
  314    HG3  LYS  40           2HG      LYS  40   2.065  -9.577   4.800
  315    HD2  LYS  40           1HD      LYS  40   1.930 -11.922   4.057
  316    HD3  LYS  40           2HD      LYS  40   1.102 -11.675   5.580
  317    HE2  LYS  40           1HE      LYS  40  -0.225 -13.157   4.252
  318    HE3  LYS  40           2HE      LYS  40  -1.096 -11.635   4.392
  319    HZ1  LYS  40           3HZ      LYS  40  -1.101 -12.561   2.128
  320    HZ2  LYS  40           1HZ      LYS  40  -0.419 -11.085   2.129
  321    HZ3  LYS  40           2HZ      LYS  40   0.522 -12.428   2.026
  322    H    THR  41           H        THR  41   1.992  -9.960   7.265
  323    HA   THR  41           HA       THR  41   3.327  -7.413   7.854
  324    HB   THR  41           HB       THR  41   3.973  -8.232  10.143
  325    HG1  THR  41           1HG      THR  41   2.464  -9.755  11.079
  326   HG21  THR  41          3HG2      THR  41   2.082  -7.465  11.366
  327   HG22  THR  41          1HG2      THR  41   2.269  -6.461   9.941
  328   HG23  THR  41          2HG2      THR  41   0.993  -7.703   9.969
  329    H    ASN  42           H        ASN  42   5.588  -7.694   8.319
  330    HA   ASN  42           HA       ASN  42   6.803 -10.360   8.132
  331    HB2  ASN  42           1HB      ASN  42   6.638  -8.477   5.852
  332    HB3  ASN  42           2HB      ASN  42   8.268  -8.997   6.167
  333   HD21  ASN  42          2HD2      ASN  42   5.710  -9.662   4.254
  334   HD22  ASN  42          1HD2      ASN  42   5.937 -11.391   4.033
  335    H    THR  43           H        THR  43   8.647 -10.453   9.317
  336    HA   THR  43           HA       THR  43   9.670  -8.029  10.634
  337    HB   THR  43           HB       THR  43  10.705 -10.876  10.859
  338    HG1  THR  43           1HG      THR  43   9.257 -11.097  12.514
  339   HG21  THR  43          3HG2      THR  43  11.352 -10.094  13.147
  340   HG22  THR  43          1HG2      THR  43  12.181  -9.179  11.886
  341   HG23  THR  43          2HG2      THR  43  10.799  -8.457  12.735
  342    H    ASN  44           H        ASN  44  11.528  -7.007  10.259
  343    HA   ASN  44           HA       ASN  44  13.070  -7.668   7.813
  344    HB2  ASN  44           1HB      ASN  44  13.147  -5.252   9.656
  345    HB3  ASN  44           2HB      ASN  44  14.005  -5.399   8.128
  346   HD21  ASN  44          2HD2      ASN  44  11.904  -3.502   9.103
  347   HD22  ASN  44          1HD2      ASN  44  10.695  -3.512   7.815
  348    H    ARG  45           H        ARG  45  15.393  -7.597   7.832
  349    HA   ARG  45           HA       ARG  45  16.649  -9.175   9.860
  350    HB2  ARG  45           1HB      ARG  45  17.961  -7.431   7.731
  351    HB3  ARG  45           2HB      ARG  45  18.734  -8.733   8.649
  352    HG2  ARG  45           1HG      ARG  45  17.058 -10.344   7.688
  353    HG3  ARG  45           2HG      ARG  45  16.433  -9.026   6.677
  354    HD2  ARG  45           1HD      ARG  45  18.665  -8.750   5.642
  355    HD3  ARG  45           2HD      ARG  45  19.305 -10.065   6.627
  356    HE   ARG  45           HE       ARG  45  17.582 -10.251   4.260
  357   HH11  ARG  45          1HH1      ARG  45  18.752 -12.090   7.053
  358   HH12  ARG  45          2HH1      ARG  45  18.410 -13.618   6.298
  359   HH21  ARG  45          1HH2      ARG  45  17.165 -12.250   3.357
  360   HH22  ARG  45          2HH2      ARG  45  17.521 -13.705   4.238
  361    H    ASN  46           H        ASN  46  16.241  -5.758   9.603
  362    HA   ASN  46           HA       ASN  46  18.260  -5.096  11.653
  363    HB2  ASN  46           1HB      ASN  46  16.366  -3.324  10.066
  364    HB3  ASN  46           2HB      ASN  46  17.696  -2.768  11.084
  365   HD21  ASN  46          2HD2      ASN  46  17.068  -2.764   7.990
  366   HD22  ASN  46          1HD2      ASN  46  18.617  -3.254   7.329
  367    H    GLY  47           H        GLY  47  15.331  -6.421  12.078
  368    HA2  GLY  47           1HA      GLY  47  14.304  -6.775  14.115
  369    HA3  GLY  47           2HA      GLY  47  15.102  -5.344  14.799
  370    H    SER  48           H        SER  48  13.713  -4.118  12.094
  371    HA   SER  48           HA       SER  48  11.228  -3.198  13.382
  372    HB2  SER  48           1HB      SER  48  11.022  -2.027  11.112
  373    HB3  SER  48           2HB      SER  48  12.356  -1.550  12.165
  374    HG   SER  48           HG       SER  48  13.225  -1.824  10.140
  375    H    LYS  49           H        LYS  49   9.220  -3.254  11.884
  376    HA   LYS  49           HA       LYS  49   8.957  -5.837  10.421
  377    HB2  LYS  49           1HB      LYS  49   7.900  -5.588  12.944
  378    HB3  LYS  49           2HB      LYS  49   6.602  -4.904  11.987
  379    HG2  LYS  49           1HG      LYS  49   6.512  -7.017  10.650
  380    HG3  LYS  49           2HG      LYS  49   7.769  -7.680  11.719
  381    HD2  LYS  49           1HD      LYS  49   6.189  -7.176  13.677
  382    HD3  LYS  49           2HD      LYS  49   4.969  -6.755  12.473
  383    HE2  LYS  49           1HE      LYS  49   4.494  -8.987  13.081
  384    HE3  LYS  49           2HE      LYS  49   5.254  -9.092  11.489
  385    HZ1  LYS  49           3HZ      LYS  49   6.142 -10.735  13.046
  386    HZ2  LYS  49           1HZ      LYS  49   7.335  -9.715  12.601
  387    HZ3  LYS  49           2HZ      LYS  49   6.637  -9.570  14.076
  388    H    ASP  50           H        ASP  50   7.101  -5.861   8.982
  389    HA   ASP  50           HA       ASP  50   6.250  -3.189   7.995
  390    HB2  ASP  50           1HB      ASP  50   6.562  -3.779   5.912
  391    HB3  ASP  50           2HB      ASP  50   7.639  -4.989   6.572
  392    H    TYR  51           H        TYR  51   4.111  -2.809   7.557
  393    HA   TYR  51           HA       TYR  51   2.056  -4.713   8.591
  394    HB2  TYR  51           1HB      TYR  51   2.465  -1.781   9.302
  395    HB3  TYR  51           2HB      TYR  51   1.114  -2.774   9.833
  396    HD1  TYR  51           2HD      TYR  51   4.688  -2.001  10.238
  397    HD2  TYR  51           1HD      TYR  51   1.406  -4.413  11.633
  398    HE1  TYR  51           2HE      TYR  51   5.961  -2.528  12.286
  399    HE2  TYR  51           1HE      TYR  51   2.671  -4.936  13.716
  400    HH   TYR  51           HH       TYR  51   5.950  -3.607  14.335
  401    H    GLY  52           H        GLY  52   0.057  -4.633   7.667
  402    HA2  GLY  52           1HA      GLY  52  -1.805  -3.769   6.592
  403    HA3  GLY  52           2HA      GLY  52  -0.955  -2.229   6.393
  404    H    LEU  53           H        LEU  53  -2.445  -2.618   4.433
  405    HA   LEU  53           HA       LEU  53  -1.865  -4.557   2.540
  406    HB2  LEU  53           1HB      LEU  53  -3.826  -2.669   2.854
  407    HB3  LEU  53           2HB      LEU  53  -2.870  -1.840   1.638
  408    HG   LEU  53           HG       LEU  53  -2.996  -4.226   0.398
  409   HD11  LEU  53          1HD1      LEU  53  -4.130  -5.349   2.245
  410   HD12  LEU  53          2HD1      LEU  53  -5.475  -4.182   2.155
  411   HD13  LEU  53          3HD1      LEU  53  -5.197  -5.279   0.819
  412   HD21  LEU  53          3HD2      LEU  53  -5.045  -3.543  -0.719
  413   HD22  LEU  53          1HD2      LEU  53  -5.326  -2.299   0.534
  414   HD23  LEU  53          2HD2      LEU  53  -3.914  -2.179  -0.550
  415    H    PHE  54           H        PHE  54  -0.217  -1.491   2.844
  416    HA   PHE  54           HA       PHE  54   1.274  -1.966   0.307
  417    HB2  PHE  54           1HB      PHE  54   1.126   0.474   2.097
  418    HB3  PHE  54           2HB      PHE  54   2.006   0.372   0.582
  419    HD1  PHE  54           2HD      PHE  54  -1.394   0.404   2.074
  420    HD2  PHE  54           1HD      PHE  54   0.888   0.562  -1.571
  421    HE1  PHE  54           2HE      PHE  54  -3.437   1.035   0.841
  422    HE2  PHE  54           1HE      PHE  54  -1.160   1.237  -2.803
  423    HZ   PHE  54           HZ       PHE  54  -3.323   1.474  -1.612
  424    H    GLN  55           H        GLN  55   1.592  -3.131   3.282
  425    HA   GLN  55           HA       GLN  55   3.258  -3.932   4.581
  426    HB2  GLN  55           1HB      GLN  55   4.720  -3.852   1.920
  427    HB3  GLN  55           2HB      GLN  55   5.237  -4.780   3.314
  428    HG2  GLN  55           1HG      GLN  55   2.598  -5.175   1.826
  429    HG3  GLN  55           2HG      GLN  55   4.071  -6.100   1.559
  430   HE21  GLN  55          2HE2      GLN  55   1.469  -5.455   3.989
  431   HE22  GLN  55          1HE2      GLN  55   1.851  -6.865   4.926
  432    H    ILE  56           H        ILE  56   2.996  -1.546   5.330
  433    HA   ILE  56           HA       ILE  56   5.233   0.264   4.803
  434    HB   ILE  56           HB       ILE  56   2.883   0.677   6.715
  435   HG12  ILE  56          1HG1      ILE  56   3.089   1.154   3.694
  436   HG13  ILE  56          2HG1      ILE  56   1.948   0.051   4.493
  437   HG21  ILE  56          1HG2      ILE  56   4.766   2.245   6.878
  438   HG22  ILE  56          2HG2      ILE  56   4.589   2.637   5.149
  439   HG23  ILE  56          3HG2      ILE  56   3.301   3.027   6.316
  440   HD11  ILE  56          3HD1      ILE  56   0.639   1.885   3.874
  441   HD12  ILE  56          1HD1      ILE  56   0.940   2.147   5.603
  442   HD13  ILE  56          2HD1      ILE  56   1.865   3.049   4.371
  443    H    ASN  57           H        ASN  57   6.869   0.849   6.223
  444    HA   ASN  57           HA       ASN  57   7.239  -1.011   8.482
  445    HB2  ASN  57           1HB      ASN  57   9.167   0.798   6.994
  446    HB3  ASN  57           2HB      ASN  57   9.612  -0.253   8.348
  447   HD21  ASN  57          2HD2      ASN  57   8.628  -2.643   7.996
  448   HD22  ASN  57          1HD2      ASN  57   9.003  -3.299   6.404
  449    H    ASP  58           H        ASP  58   7.582  -0.535  10.538
  450    HA   ASP  58           HA       ASP  58   6.561   1.834  11.659
  451    HB2  ASP  58           1HB      ASP  58   7.042   0.888  13.743
  452    HB3  ASP  58           2HB      ASP  58   6.552  -0.418  12.675
  453    H    ARG  59           H        ARG  59   9.639   1.388  10.411
  454    HA   ARG  59           HA       ARG  59  10.989   3.381  12.146
  455    HB2  ARG  59           1HB      ARG  59  11.846   1.070  11.695
  456    HB3  ARG  59           2HB      ARG  59  12.149   1.523  10.030
  457    HG2  ARG  59           1HG      ARG  59  13.805   3.158  10.679
  458    HG3  ARG  59           2HG      ARG  59  13.347   3.040  12.382
  459    HD2  ARG  59           1HD      ARG  59  14.552   0.773  10.742
  460    HD3  ARG  59           2HD      ARG  59  15.484   1.868  11.780
  461    HE   ARG  59           HE       ARG  59  13.474   0.822  13.416
  462   HH11  ARG  59          1HH1      ARG  59  16.284  -0.470  11.696
  463   HH12  ARG  59          2HH1      ARG  59  16.407  -1.840  12.779
  464   HH21  ARG  59          1HH2      ARG  59  13.756  -0.969  14.787
  465   HH22  ARG  59          2HH2      ARG  59  15.048  -2.092  14.468
  466    H    TYR  60           H        TYR  60   9.214   3.425   9.370
  467    HA   TYR  60           HA       TYR  60  10.755   5.683   8.101
  468    HB2  TYR  60           1HB      TYR  60   9.382   3.310   6.796
  469    HB3  TYR  60           2HB      TYR  60   9.963   4.723   5.932
  470    HD1  TYR  60           2HD      TYR  60  11.083   1.819   7.973
  471    HD2  TYR  60           1HD      TYR  60  12.211   4.984   5.290
  472    HE1  TYR  60           2HE      TYR  60  13.335   0.781   7.720
  473    HE2  TYR  60           1HE      TYR  60  14.478   3.969   5.038
  474    HH   TYR  60           HH       TYR  60  15.410   0.940   6.731
  475    H    TRP  61           H        TRP  61   7.443   4.305   8.491
  476    HA   TRP  61           HA       TRP  61   6.326   6.965   7.639
  477    HB2  TRP  61           1HB      TRP  61   5.532   4.271   6.579
  478    HB3  TRP  61           2HB      TRP  61   4.849   5.795   6.071
  479    HD1  TRP  61           HD       TRP  61   7.267   3.251   5.116
  480    HE1  TRP  61           1HE      TRP  61   8.805   4.020   3.216
  481    HE3  TRP  61           3HE      TRP  61   6.241   8.276   5.217
  482    HZ2  TRP  61           2HZ      TRP  61   9.439   6.479   1.849
  483    HZ3  TRP  61           3HZ      TRP  61   7.236   9.788   3.530
  484    HH2  TRP  61           HH       TRP  61   8.864   8.900   1.856
  485    H    CYS  62           H        CYS  62   5.469   3.754   9.093
  486    HA   CYS  62           HA       CYS  62   3.308   5.154  10.628
  487    HB2  CYS  62           1HB      CYS  62   2.572   2.813  11.171
  488    HB3  CYS  62           2HB      CYS  62   2.346   3.350   9.520
  489    H    SER  63           H        SER  63   3.006   4.388  12.864
  490    HA   SER  63           HA       SER  63   5.620   4.111  14.306
  491    HB2  SER  63           1HB      SER  63   4.047   6.276  14.366
  492    HB3  SER  63           2HB      SER  63   3.194   5.321  15.576
  493    HG   SER  63           HG       SER  63   4.788   6.381  16.697
  494    H    LYS  64           H        LYS  64   5.797   2.699  15.976
  495    HA   LYS  64           HA       LYS  64   3.741   0.555  16.087
  496    HB2  LYS  64           1HB      LYS  64   5.571  -0.832  16.928
  497    HB3  LYS  64           2HB      LYS  64   5.850  -0.176  15.323
  498    HG2  LYS  64           1HG      LYS  64   7.470   1.358  16.064
  499    HG3  LYS  64           2HG      LYS  64   6.883   1.350  17.737
  500    HD2  LYS  64           1HD      LYS  64   7.652  -0.907  18.090
  501    HD3  LYS  64           2HD      LYS  64   8.261  -1.023  16.417
  502    HE2  LYS  64           1HE      LYS  64   9.080   1.051  18.479
  503    HE3  LYS  64           2HE      LYS  64   9.986  -0.450  18.175
  504    HZ1  LYS  64           3HZ      LYS  64  11.052   1.185  16.868
  505    HZ2  LYS  64           1HZ      LYS  64  10.097   0.399  15.771
  506    HZ3  LYS  64           2HZ      LYS  64   9.654   1.850  16.345
  507    H    GLY  65           H        GLY  65   4.605   3.079  18.111
  508    HA2  GLY  65           1HA      GLY  65   4.504   1.678  20.685
  509    HA3  GLY  65           2HA      GLY  65   4.627   3.416  20.413
  510    H    ALA  66           H        ALA  66   3.079   3.704  22.129
  511    HA   ALA  66           HA       ALA  66   0.403   2.573  21.980
  512    HB1  ALA  66           1HB      ALA  66   1.573   3.063  24.109
  513    HB2  ALA  66           2HB      ALA  66   1.551   4.802  23.722
  514    HB3  ALA  66           3HB      ALA  66   0.031   3.927  23.997
  515    H    SER  67           H        SER  67   1.710   4.989  20.104
  516    HA   SER  67           HA       SER  67  -0.881   6.207  19.435
  517    HB2  SER  67           1HB      SER  67  -0.032   8.493  19.897
  518    HB3  SER  67           2HB      SER  67  -0.184   7.503  21.355
  519    HG   SER  67           HG       SER  67   1.798   8.675  21.309
  520    HA   PRO  68           HA       PRO  68   1.227   6.777  15.463
  521    HB2  PRO  68           1HB      PRO  68  -0.223   8.776  14.331
  522    HB3  PRO  68           2HB      PRO  68  -0.911   7.141  14.601
  523    HG2  PRO  68           1HG      PRO  68  -1.218   9.594  16.360
  524    HG3  PRO  68           2HG      PRO  68  -2.505   8.511  15.736
  525    HD2  PRO  68           1HD      PRO  68  -1.448   8.201  18.221
  526    HD3  PRO  68           2HD      PRO  68  -1.914   6.788  17.230
  527    H    GLY  69           H        GLY  69   2.574   8.415  14.331
  528    HA2  GLY  69           1HA      GLY  69   3.229  10.981  15.152
  529    HA3  GLY  69           2HA      GLY  69   4.091   9.973  16.301
  530    H    LYS  70           H        LYS  70   3.580  10.510  12.857
  531    HA   LYS  70           HA       LYS  70   6.415  10.312  12.143
  532    HB2  LYS  70           1HB      LYS  70   4.309   8.363  11.076
  533    HB3  LYS  70           2HB      LYS  70   5.868   8.607  10.296
  534    HG2  LYS  70           1HG      LYS  70   5.452   7.482  13.057
  535    HG3  LYS  70           2HG      LYS  70   5.782   6.586  11.587
  536    HD2  LYS  70           1HD      LYS  70   7.975   7.520  11.356
  537    HD3  LYS  70           2HD      LYS  70   7.739   8.612  12.726
  538    HE2  LYS  70           1HE      LYS  70   7.659   5.565  12.942
  539    HE3  LYS  70           2HE      LYS  70   9.110   6.539  13.195
  540    HZ1  LYS  70           3HZ      LYS  70   8.115   6.152  15.309
  541    HZ2  LYS  70           1HZ      LYS  70   7.870   7.734  14.971
  542    HZ3  LYS  70           2HZ      LYS  70   6.642   6.666  14.844
  543    H    ASP  71           H        ASP  71   6.469  10.484   9.581
  544    HA   ASP  71           HA       ASP  71   5.307  12.989   8.822
  545    HB2  ASP  71           1HB      ASP  71   7.421  11.959   7.924
  546    HB3  ASP  71           2HB      ASP  71   6.431  10.827   7.000
  547    H    CYS  72           H        CYS  72   4.078   9.710   8.489
  548    HA   CYS  72           HA       CYS  72   1.714  10.639   6.923
  549    HB2  CYS  72           1HB      CYS  72   2.519   7.839   7.736
  550    HB3  CYS  72           2HB      CYS  72   1.239   8.291   6.624
  551    H    ASN  73           H        ASN  73   2.492  10.497  10.162
  552    HA   ASN  73           HA       ASN  73   1.353  10.406  12.103
  553    HB2  ASN  73           1HB      ASN  73   0.771  12.554  10.972
  554    HB3  ASN  73           2HB      ASN  73  -0.725  11.818  10.393
  555   HD21  ASN  73          2HD2      ASN  73  -1.989  13.402  11.580
  556   HD22  ASN  73          1HD2      ASN  73  -2.127  13.303  13.326
  557    H    VAL  74           H        VAL  74   1.216   7.927  11.392
  558    HA   VAL  74           HA       VAL  74  -1.476   6.973  12.121
  559    HB   VAL  74           HB       VAL  74  -1.452   7.218   9.648
  560   HG11  VAL  74          1HG1      VAL  74   0.947   6.722   9.210
  561   HG12  VAL  74          2HG1      VAL  74   0.662   5.021   9.641
  562   HG13  VAL  74          3HG1      VAL  74  -0.145   5.724   8.236
  563   HG21  VAL  74          3HG2      VAL  74  -2.414   5.069   9.148
  564   HG22  VAL  74          1HG2      VAL  74  -1.616   4.325  10.548
  565   HG23  VAL  74          2HG2      VAL  74  -2.882   5.553  10.785
  566    H    LYS  75           H        LYS  75  -1.547   5.032  13.085
  567    HA   LYS  75           HA       LYS  75   0.990   3.971  14.134
  568    HB2  LYS  75           1HB      LYS  75  -1.150   4.734  15.421
  569    HB3  LYS  75           2HB      LYS  75  -1.795   3.151  14.975
  570    HG2  LYS  75           1HG      LYS  75   0.097   2.056  16.159
  571    HG3  LYS  75           2HG      LYS  75   0.813   3.643  16.463
  572    HD2  LYS  75           1HD      LYS  75  -0.167   3.064  18.473
  573    HD3  LYS  75           2HD      LYS  75  -1.257   4.258  17.806
  574    HE2  LYS  75           1HE      LYS  75  -1.789   1.291  17.385
  575    HE3  LYS  75           2HE      LYS  75  -2.077   2.009  18.967
  576    HZ1  LYS  75           3HZ      LYS  75  -4.089   2.076  17.701
  577    HZ2  LYS  75           1HZ      LYS  75  -3.588   3.610  17.909
  578    HZ3  LYS  75           2HZ      LYS  75  -3.420   2.868  16.453
  579    H    CYS  76           H        CYS  76   1.792   1.962  13.680
  580    HA   CYS  76           HA       CYS  76   1.291   0.438  11.415
  581    HB2  CYS  76           1HB      CYS  76   2.257  -0.538  14.138
  582    HB3  CYS  76           2HB      CYS  76   2.518  -1.342  12.599
  583    H    SER  77           H        SER  77  -0.277  -0.054  14.611
  584    HA   SER  77           HA       SER  77  -1.590  -2.519  13.873
  585    HB2  SER  77           1HB      SER  77  -1.025  -1.717  16.200
  586    HB3  SER  77           2HB      SER  77  -2.392  -0.591  16.073
  587    HG   SER  77           HG       SER  77  -2.948  -2.606  17.096
  588    H    ASP  78           H        ASP  78  -2.590   0.903  13.490
  589    HA   ASP  78           HA       ASP  78  -5.363   0.289  12.865
  590    HB2  ASP  78           1HB      ASP  78  -3.600   2.720  12.409
  591    HB3  ASP  78           2HB      ASP  78  -5.245   2.622  11.814
  592    H    LEU  79           H        LEU  79  -2.391   0.005  11.089
  593    HA   LEU  79           HA       LEU  79  -3.581   0.078   8.430
  594    HB2  LEU  79           1HB      LEU  79  -0.958  -1.276   9.157
  595    HB3  LEU  79           2HB      LEU  79  -1.482  -0.603   7.621
  596    HG   LEU  79           HG       LEU  79  -0.674   0.979  10.085
  597   HD11  LEU  79          1HD1      LEU  79   1.198   0.011   8.882
  598   HD12  LEU  79          2HD1      LEU  79   0.547   0.562   7.325
  599   HD13  LEU  79          3HD1      LEU  79   1.132   1.742   8.512
  600   HD21  LEU  79          3HD2      LEU  79  -0.899   2.978   8.592
  601   HD22  LEU  79          1HD2      LEU  79  -1.689   1.939   7.392
  602   HD23  LEU  79          2HD2      LEU  79  -2.456   2.225   8.968
  603    H    LEU  80           H        LEU  80  -3.628  -2.237  10.936
  604    HA   LEU  80           HA       LEU  80  -3.957  -4.560   9.139
  605    HB2  LEU  80           1HB      LEU  80  -3.918  -4.464  12.168
  606    HB3  LEU  80           2HB      LEU  80  -3.810  -5.897  11.154
  607    HG   LEU  80           HG       LEU  80  -1.711  -3.709  11.367
  608   HD11  LEU  80          1HD1      LEU  80  -1.901  -5.145  13.368
  609   HD12  LEU  80          2HD1      LEU  80  -1.743  -6.595  12.354
  610   HD13  LEU  80          3HD1      LEU  80  -0.388  -5.463  12.509
  611   HD21  LEU  80          3HD2      LEU  80  -0.259  -5.238  10.043
  612   HD22  LEU  80          1HD2      LEU  80  -1.658  -6.297   9.757
  613   HD23  LEU  80          2HD2      LEU  80  -1.634  -4.638   9.114
  614    H    THR  81           H        THR  81  -6.024  -2.236   9.899
  615    HA   THR  81           HA       THR  81  -8.306  -3.744  10.942
  616    HB   THR  81           HB       THR  81  -9.555  -1.640  10.632
  617    HG1  THR  81           1HG      THR  81  -7.151  -0.362   9.951
  618   HG21  THR  81          3HG2      THR  81  -8.309  -0.284  12.270
  619   HG22  THR  81          1HG2      THR  81  -8.380  -1.993  12.732
  620   HG23  THR  81          2HG2      THR  81  -6.883  -1.323  12.061
  621    H    ASP  82           H        ASP  82 -10.490  -3.248   9.726
  622    HA   ASP  82           HA       ASP  82 -10.347  -4.854   7.289
  623    HB2  ASP  82           1HB      ASP  82 -12.736  -5.034   7.581
  624    HB3  ASP  82           2HB      ASP  82 -11.922  -5.339   9.114
  625    H    ASP  83           H        ASP  83 -10.169  -1.608   7.757
  626    HA   ASP  83           HA       ASP  83 -11.105  -1.042   4.967
  627    HB2  ASP  83           1HB      ASP  83 -12.459   0.168   6.688
  628    HB3  ASP  83           2HB      ASP  83 -10.992   1.001   7.206
  629    H    ILE  84           H        ILE  84  -9.523  -0.620   3.641
  630    HA   ILE  84           HA       ILE  84  -6.767  -0.681   4.460
  631    HB   ILE  84           HB       ILE  84  -6.228  -0.557   2.144
  632   HG12  ILE  84          1HG1      ILE  84  -9.077   0.399   1.610
  633   HG13  ILE  84          2HG1      ILE  84  -7.621   1.393   1.577
  634   HG21  ILE  84          1HG2      ILE  84  -7.432  -2.644   2.954
  635   HG22  ILE  84          2HG2      ILE  84  -8.910  -2.006   2.231
  636   HG23  ILE  84          3HG2      ILE  84  -7.517  -2.393   1.212
  637   HD11  ILE  84          3HD1      ILE  84  -8.264   0.882  -0.659
  638   HD12  ILE  84          1HD1      ILE  84  -6.705   0.096  -0.277
  639   HD13  ILE  84          2HD1      ILE  84  -8.213  -0.860  -0.344
  640    H    THR  85           H        THR  85  -8.924   1.973   4.378
  641    HA   THR  85           HA       THR  85  -7.500   4.043   3.229
  642    HB   THR  85           HB       THR  85  -9.824   4.121   3.898
  643    HG1  THR  85           1HG      THR  85  -9.757   6.305   4.360
  644   HG21  THR  85          3HG2      THR  85 -10.530   4.737   6.108
  645   HG22  THR  85          1HG2      THR  85  -9.546   3.274   6.269
  646   HG23  THR  85          2HG2      THR  85  -8.854   4.857   6.690
  647    H    LYS  86           H        LYS  86  -6.996   2.873   6.541
  648    HA   LYS  86           HA       LYS  86  -5.262   4.991   7.392
  649    HB2  LYS  86           1HB      LYS  86  -5.207   2.051   8.202
  650    HB3  LYS  86           2HB      LYS  86  -4.558   3.404   9.126
  651    HG2  LYS  86           1HG      LYS  86  -7.506   2.888   8.532
  652    HG3  LYS  86           2HG      LYS  86  -6.681   2.587  10.048
  653    HD2  LYS  86           1HD      LYS  86  -6.177   5.043  10.236
  654    HD3  LYS  86           2HD      LYS  86  -7.154   5.312   8.769
  655    HE2  LYS  86           1HE      LYS  86  -9.113   4.267   9.883
  656    HE3  LYS  86           2HE      LYS  86  -8.146   3.984  11.335
  657    HZ1  LYS  86           3HZ      LYS  86  -9.480   5.992  11.543
  658    HZ2  LYS  86           1HZ      LYS  86  -7.899   6.393  11.565
  659    HZ3  LYS  86           2HZ      LYS  86  -8.794   6.660  10.220
  660    H    ALA  87           H        ALA  87  -4.647   2.120   5.445
  661    HA   ALA  87           HA       ALA  87  -1.721   2.596   5.322
  662    HB1  ALA  87           1HB      ALA  87  -2.802   0.283   5.559
  663    HB2  ALA  87           2HB      ALA  87  -3.400   0.483   3.894
  664    HB3  ALA  87           3HB      ALA  87  -1.650   0.467   4.235
  665    H    ALA  88           H        ALA  88  -4.615   2.813   3.237
  666    HA   ALA  88           HA       ALA  88  -3.224   3.469   0.845
  667    HB1  ALA  88           1HB      ALA  88  -5.561   2.565   1.044
  668    HB2  ALA  88           2HB      ALA  88  -6.091   4.173   1.606
  669    HB3  ALA  88           3HB      ALA  88  -5.414   3.968  -0.015
  670    H    LYS  89           H        LYS  89  -4.682   5.696   3.300
  671    HA   LYS  89           HA       LYS  89  -3.925   8.097   1.869
  672    HB2  LYS  89           1HB      LYS  89  -4.537   7.519   4.786
  673    HB3  LYS  89           2HB      LYS  89  -4.245   9.144   4.138
  674    HG2  LYS  89           1HG      LYS  89  -6.166   8.953   2.622
  675    HG3  LYS  89           2HG      LYS  89  -6.440   7.281   3.113
  676    HD2  LYS  89           1HD      LYS  89  -8.048   8.689   4.211
  677    HD3  LYS  89           2HD      LYS  89  -6.946   8.016   5.421
  678    HE2  LYS  89           1HE      LYS  89  -5.687  10.155   5.478
  679    HE3  LYS  89           2HE      LYS  89  -6.722  10.813   4.202
  680    HZ1  LYS  89           3HZ      LYS  89  -7.444  11.547   6.394
  681    HZ2  LYS  89           1HZ      LYS  89  -8.609  10.620   5.723
  682    HZ3  LYS  89           2HZ      LYS  89  -7.654  10.010   6.904
  683    H    CYS  90           H        CYS  90  -2.195   6.031   4.147
  684    HA   CYS  90           HA       CYS  90   0.169   7.728   4.389
  685    HB2  CYS  90           1HB      CYS  90  -0.436   6.067   6.050
  686    HB3  CYS  90           2HB      CYS  90  -0.303   4.763   4.872
  687    H    ALA  91           H        ALA  91  -0.772   5.031   2.197
  688    HA   ALA  91           HA       ALA  91   1.572   5.030   0.615
  689    HB1  ALA  91           1HB      ALA  91  -0.223   3.306   0.633
  690    HB2  ALA  91           2HB      ALA  91  -1.278   4.419  -0.247
  691    HB3  ALA  91           3HB      ALA  91   0.216   3.845  -1.004
  692    H    LYS  92           H        LYS  92  -1.393   7.156   0.214
  693    HA   LYS  92           HA       LYS  92  -0.330   8.578  -2.019
  694    HB2  LYS  92           1HB      LYS  92  -2.001   9.814   0.199
  695    HB3  LYS  92           2HB      LYS  92  -1.832  10.369  -1.456
  696    HG2  LYS  92           1HG      LYS  92  -3.356   7.971  -0.432
  697    HG3  LYS  92           2HG      LYS  92  -3.982   9.392  -1.186
  698    HD2  LYS  92           1HD      LYS  92  -2.445   7.128  -2.493
  699    HD3  LYS  92           2HD      LYS  92  -4.134   7.537  -2.707
  700    HE2  LYS  92           1HE      LYS  92  -1.780   9.253  -3.632
  701    HE3  LYS  92           2HE      LYS  92  -2.734   8.179  -4.656
  702    HZ1  LYS  92           3HZ      LYS  92  -3.484  10.480  -4.821
  703    HZ2  LYS  92           1HZ      LYS  92  -4.684   9.555  -4.219
  704    HZ3  LYS  92           2HZ      LYS  92  -3.832  10.542  -3.227
  705    H    LYS  93           H        LYS  93   0.177   9.163   1.490
  706    HA   LYS  93           HA       LYS  93   1.850  11.469   1.109
  707    HB2  LYS  93           1HB      LYS  93   0.584  10.939   3.171
  708    HB3  LYS  93           2HB      LYS  93   1.641   9.563   3.468
  709    HG2  LYS  93           1HG      LYS  93   2.196  11.486   4.866
  710    HG3  LYS  93           2HG      LYS  93   3.555  11.038   3.838
  711    HD2  LYS  93           1HD      LYS  93   3.156  12.936   2.369
  712    HD3  LYS  93           2HD      LYS  93   1.617  13.307   3.194
  713    HE2  LYS  93           1HE      LYS  93   2.878  13.710   5.306
  714    HE3  LYS  93           2HE      LYS  93   4.391  13.365   4.466
  715    HZ1  LYS  93           3HZ      LYS  93   3.975  15.741   4.612
  716    HZ2  LYS  93           1HZ      LYS  93   3.956  15.294   3.039
  717    HZ3  LYS  93           2HZ      LYS  93   2.552  15.606   3.823
  718    H    ILE  94           H        ILE  94   2.618   8.038   0.974
  719    HA   ILE  94           HA       ILE  94   5.522   8.509   0.770
  720    HB   ILE  94           HB       ILE  94   3.821   6.100   0.009
  721   HG12  ILE  94          1HG1      ILE  94   5.772   6.413   2.309
  722   HG13  ILE  94          2HG1      ILE  94   4.074   6.766   2.517
  723   HG21  ILE  94          1HG2      ILE  94   5.833   6.141  -1.365
  724   HG22  ILE  94          2HG2      ILE  94   6.837   6.584   0.025
  725   HG23  ILE  94          3HG2      ILE  94   6.106   4.960  -0.087
  726   HD11  ILE  94          3HD1      ILE  94   4.497   4.536   3.316
  727   HD12  ILE  94          1HD1      ILE  94   3.497   4.431   1.857
  728   HD13  ILE  94          2HD1      ILE  94   5.236   4.052   1.782
  729    H    TYR  95           H        TYR  95   2.879   7.956  -1.619
  730    HA   TYR  95           HA       TYR  95   4.422   8.166  -3.943
  731    HB2  TYR  95           1HB      TYR  95   2.385   7.350  -4.342
  732    HB3  TYR  95           2HB      TYR  95   1.563   8.407  -3.211
  733    HD1  TYR  95           2HD      TYR  95   1.184  10.878  -3.870
  734    HD2  TYR  95           1HD      TYR  95   2.094   7.718  -6.658
  735    HE1  TYR  95           2HE      TYR  95   0.242  12.243  -5.723
  736    HE2  TYR  95           1HE      TYR  95   1.171   9.084  -8.515
  737    HH   TYR  95           HH       TYR  95   0.183  11.077  -9.118
  738    H    LYS  96           H        LYS  96   3.229  10.781  -1.936
  739    HA   LYS  96           HA       LYS  96   3.928  13.053  -3.502
  740    HB2  LYS  96           1HB      LYS  96   3.865  12.369  -0.547
  741    HB3  LYS  96           2HB      LYS  96   4.339  13.982  -1.057
  742    HG2  LYS  96           1HG      LYS  96   1.670  12.727  -1.835
  743    HG3  LYS  96           2HG      LYS  96   1.913  13.725  -0.397
  744    HD2  LYS  96           1HD      LYS  96   2.653  15.616  -1.836
  745    HD3  LYS  96           2HD      LYS  96   2.353  14.626  -3.282
  746    HE2  LYS  96           1HE      LYS  96  -0.029  14.382  -2.627
  747    HE3  LYS  96           2HE      LYS  96   0.262  15.360  -1.183
  748    HZ1  LYS  96           3HZ      LYS  96  -0.664  16.694  -2.979
  749    HZ2  LYS  96           1HZ      LYS  96   0.841  17.223  -2.640
  750    HZ3  LYS  96           2HZ      LYS  96   0.572  16.319  -3.977
  751    H    ARG  97           H        ARG  97   6.039  10.825  -1.783
  752    HA   ARG  97           HA       ARG  97   8.447  12.530  -2.232
  753    HB2  ARG  97           1HB      ARG  97   8.302   9.862  -0.787
  754    HB3  ARG  97           2HB      ARG  97   9.591  11.054  -0.739
  755    HG2  ARG  97           1HG      ARG  97   6.825  11.281   0.518
  756    HG3  ARG  97           2HG      ARG  97   8.360  11.032   1.341
  757    HD2  ARG  97           1HD      ARG  97   9.125  13.275   0.549
  758    HD3  ARG  97           2HD      ARG  97   7.501  13.549  -0.123
  759    HE   ARG  97           HE       ARG  97   7.228  12.738   2.591
  760   HH11  ARG  97          1HH1      ARG  97   8.419  15.583   0.849
  761   HH12  ARG  97          2HH1      ARG  97   8.141  16.629   2.208
  762   HH21  ARG  97          1HH2      ARG  97   6.947  14.091   4.290
  763   HH22  ARG  97          2HH2      ARG  97   7.323  15.792   4.150
  764    H    HIS  98           H        HIS  98   7.119   9.303  -2.891
  765    HA   HIS  98           HA       HIS  98   8.736   8.923  -5.358
  766    HB2  HIS  98           1HB      HIS  98   8.707   7.045  -2.956
  767    HB3  HIS  98           2HB      HIS  98   9.428   6.680  -4.517
  768    HD2  HIS  98           2HD      HIS  98  10.217   8.123  -1.186
  769    HE1  HIS  98           1HE      HIS  98  13.498   9.260  -3.652
  770    HE2  HIS  98           2HE      HIS  98  12.655   9.121  -1.251
  771    H    ARG  99           H        ARG  99   6.864   8.888  -6.640
  772    HA   ARG  99           HA       ARG  99   4.366   8.097  -6.074
  773    HB2  ARG  99           1HB      ARG  99   3.844   7.967  -8.340
  774    HB3  ARG  99           2HB      ARG  99   4.832   9.359  -7.902
  775    HG2  ARG  99           1HG      ARG  99   6.840   8.236  -8.902
  776    HG3  ARG  99           2HG      ARG  99   5.802   6.855  -9.371
  777    HD2  ARG  99           1HD      ARG  99   4.291   8.415 -10.523
  778    HD3  ARG  99           2HD      ARG  99   5.359   9.762 -10.101
  779    HE   ARG  99           HE       ARG  99   6.958   7.858 -11.440
  780   HH11  ARG  99          1HH1      ARG  99   4.230   9.931 -12.331
  781   HH12  ARG  99          2HH1      ARG  99   4.702   9.985 -14.003
  782   HH21  ARG  99          1HH2      ARG  99   7.509   7.972 -13.611
  783   HH22  ARG  99          2HH2      ARG  99   6.534   8.895 -14.713
  784    H    PHE 100           H        PHE 100   6.762   5.842  -7.419
  785    HA   PHE 100           HA       PHE 100   5.249   3.548  -6.273
  786    HB2  PHE 100           1HB      PHE 100   6.342   3.591  -9.099
  787    HB3  PHE 100           2HB      PHE 100   5.540   2.255  -8.275
  788    HD1  PHE 100           1HD      PHE 100   3.111   2.830  -7.307
  789    HD2  PHE 100           2HD      PHE 100   5.019   4.777 -10.646
  790    HE1  PHE 100           1HE      PHE 100   0.903   3.449  -8.204
  791    HE2  PHE 100           2HE      PHE 100   2.793   5.417 -11.538
  792    HZ   PHE 100           HZ       PHE 100   0.727   4.745 -10.320
  793    H    ASP 101           H        ASP 101   8.298   5.077  -6.902
  794    HA   ASP 101           HA       ASP 101   9.993   2.816  -7.097
  795    HB2  ASP 101           1HB      ASP 101  10.457   5.114  -7.910
  796    HB3  ASP 101           2HB      ASP 101  10.605   5.673  -6.247
  797    H    ALA 102           H        ALA 102   8.462   4.072  -4.298
  798    HA   ALA 102           HA       ALA 102  10.396   3.228  -2.305
  799    HB1  ALA 102           1HB      ALA 102   8.746   4.994  -1.866
  800    HB2  ALA 102           2HB      ALA 102   7.413   3.842  -2.118
  801    HB3  ALA 102           3HB      ALA 102   8.517   3.646  -0.743
  802    H    TRP 103           H        TRP 103   8.445   1.379  -4.366
  803    HA   TRP 103           HA       TRP 103   8.545  -0.992  -2.537
  804    HB2  TRP 103           1HB      TRP 103   6.420  -0.228  -4.568
  805    HB3  TRP 103           2HB      TRP 103   6.468  -1.730  -3.660
  806    HD1  TRP 103           HD       TRP 103   5.952  -1.615  -1.037
  807    HE1  TRP 103           1HE      TRP 103   4.446  -0.076   0.319
  808    HE3  TRP 103           3HE      TRP 103   5.804   2.349  -4.260
  809    HZ2  TRP 103           2HZ      TRP 103   3.260   2.571   0.012
  810    HZ3  TRP 103           3HZ      TRP 103   4.481   4.368  -3.711
  811    HH2  TRP 103           HH       TRP 103   3.178   4.480  -1.599
  812    H    TYR 104           H        TYR 104   9.695  -2.609  -3.192
  813    HA   TYR 104           HA       TYR 104  11.350  -2.309  -5.469
  814    HB2  TYR 104           1HB      TYR 104  11.853  -3.302  -3.191
  815    HB3  TYR 104           2HB      TYR 104  11.035  -4.768  -3.712
  816    HD1  TYR 104           2HD      TYR 104  13.715  -2.363  -4.767
  817    HD2  TYR 104           1HD      TYR 104  12.377  -6.458  -4.705
  818    HE1  TYR 104           2HE      TYR 104  15.903  -3.090  -5.735
  819    HE2  TYR 104           1HE      TYR 104  14.555  -7.194  -5.660
  820    HH   TYR 104           HH       TYR 104  16.630  -6.540  -6.418
  821    H    GLY 105           H        GLY 105   8.642  -4.595  -4.985
  822    HA2  GLY 105           1HA      GLY 105   9.066  -6.148  -7.378
  823    HA3  GLY 105           2HA      GLY 105   7.573  -6.046  -6.460
  824    H    TRP 106           H        TRP 106   7.588  -2.969  -6.940
  825    HA   TRP 106           HA       TRP 106   6.036  -3.019  -9.347
  826    HB2  TRP 106           1HB      TRP 106   5.489  -1.411  -7.714
  827    HB3  TRP 106           2HB      TRP 106   7.115  -0.721  -7.730
  828    HD1  TRP 106           HD       TRP 106   3.931  -0.894  -9.881
  829    HE1  TRP 106           1HE      TRP 106   4.042   0.877 -11.740
  830    HE3  TRP 106           3HE      TRP 106   8.659   0.836  -9.031
  831    HZ2  TRP 106           2HZ      TRP 106   5.963   2.818 -12.723
  832    HZ3  TRP 106           3HZ      TRP 106   9.646   2.580 -10.469
  833    HH2  TRP 106           HH       TRP 106   8.307   3.595 -12.320
  834    H    LYS 107           H        LYS 107   9.358  -1.954  -8.622
  835    HA   LYS 107           HA       LYS 107   9.921  -1.307 -11.433
  836    HB2  LYS 107           1HB      LYS 107  12.127  -0.596 -10.561
  837    HB3  LYS 107           2HB      LYS 107  10.746   0.238  -9.870
  838    HG2  LYS 107           1HG      LYS 107  10.888  -1.219  -7.843
  839    HG3  LYS 107           2HG      LYS 107  12.362  -1.952  -8.505
  840    HD2  LYS 107           1HD      LYS 107  11.917   0.974  -7.782
  841    HD3  LYS 107           2HD      LYS 107  12.812  -0.203  -6.816
  842    HE2  LYS 107           1HE      LYS 107  14.491  -0.451  -8.621
  843    HE3  LYS 107           2HE      LYS 107  13.582   0.683  -9.633
  844    HZ1  LYS 107           3HZ      LYS 107  15.367   1.833  -8.513
  845    HZ2  LYS 107           1HZ      LYS 107  13.931   2.385  -7.940
  846    HZ3  LYS 107           2HZ      LYS 107  14.838   1.362  -7.037
  847    H    ASN 108           H        ASN 108  10.279  -4.156  -9.515
  848    HA   ASN 108           HA       ASN 108  12.272  -5.299 -11.417
  849    HB2  ASN 108           1HB      ASN 108  11.213  -6.183  -8.722
  850    HB3  ASN 108           2HB      ASN 108  12.089  -7.279  -9.786
  851   HD21  ASN 108          2HD2      ASN 108  12.403  -4.289  -7.889
  852   HD22  ASN 108          1HD2      ASN 108  14.162  -4.302  -7.891
  853    H    HIS 109           H        HIS 109   8.822  -5.710 -10.591
  854    HA   HIS 109           HA       HIS 109   8.642  -7.883 -12.661
  855    HB2  HIS 109           1HB      HIS 109   7.027  -7.599 -10.106
  856    HB3  HIS 109           2HB      HIS 109   6.986  -8.933 -11.255
  857    HD2  HIS 109           2HD      HIS 109   8.291  -8.263  -7.984
  858    HE1  HIS 109           1HE      HIS 109  11.266 -10.823  -9.627
  859    HE2  HIS 109           2HE      HIS 109  10.373  -9.790  -7.475
  860    H    CYS 110           H        CYS 110   6.741  -5.201 -11.161
  861    HA   CYS 110           HA       CYS 110   4.545  -5.509 -13.001
  862    HB2  CYS 110           1HB      CYS 110   5.230  -3.043 -11.385
  863    HB3  CYS 110           2HB      CYS 110   3.671  -3.487 -12.047
  864    H    GLN 111           H        GLN 111   7.603  -4.204 -13.660
  865    HA   GLN 111           HA       GLN 111   6.821  -2.282 -15.715
  866    HB2  GLN 111           1HB      GLN 111   9.442  -3.808 -15.375
  867    HB3  GLN 111           2HB      GLN 111   9.181  -2.386 -16.382
  868    HG2  GLN 111           1HG      GLN 111   9.108  -2.501 -13.347
  869    HG3  GLN 111           2HG      GLN 111  10.355  -1.775 -14.342
  870   HE21  GLN 111          2HE2      GLN 111   7.592  -1.047 -12.527
  871   HE22  GLN 111          1HE2      GLN 111   7.305   0.543 -13.221
  872    H    GLY 112           H        GLY 112   7.078  -5.798 -15.644
  873    HA2  GLY 112           1HA      GLY 112   7.526  -6.116 -18.508
  874    HA3  GLY 112           2HA      GLY 112   7.141  -7.388 -17.324
  875    H    SER 113           H        SER 113   4.685  -6.160 -16.409
  876    HA   SER 113           HA       SER 113   2.778  -5.641 -18.488
  877    HB2  SER 113           1HB      SER 113   3.056  -8.486 -17.467
  878    HB3  SER 113           2HB      SER 113   1.469  -7.833 -17.871
  879    HG   SER 113           HG       SER 113   3.680  -7.812 -19.668
  880    H    LEU 114           H        LEU 114   0.874  -4.873 -17.598
  881    HA   LEU 114           HA       LEU 114   0.473  -5.103 -14.650
  882    HB2  LEU 114           1HB      LEU 114  -0.427  -2.984 -16.649
  883    HB3  LEU 114           2HB      LEU 114  -0.910  -3.034 -14.960
  884    HG   LEU 114           HG       LEU 114   1.973  -2.709 -15.901
  885   HD11  LEU 114          1HD1      LEU 114   0.523  -0.810 -16.530
  886   HD12  LEU 114          2HD1      LEU 114   0.011  -0.638 -14.835
  887   HD13  LEU 114          3HD1      LEU 114   1.707  -0.360 -15.296
  888   HD21  LEU 114          3HD2      LEU 114   2.344  -1.984 -13.526
  889   HD22  LEU 114          1HD2      LEU 114   0.686  -2.489 -13.140
  890   HD23  LEU 114          2HD2      LEU 114   1.889  -3.687 -13.658
  891    HA   PRO 115           HA       PRO 115  -3.266  -7.351 -15.619
  892    HB2  PRO 115           1HB      PRO 115  -4.806  -6.889 -13.430
  893    HB3  PRO 115           2HB      PRO 115  -3.316  -7.885 -13.356
  894    HG2  PRO 115           1HG      PRO 115  -3.637  -4.951 -12.632
  895    HG3  PRO 115           2HG      PRO 115  -2.847  -6.249 -11.675
  896    HD2  PRO 115           1HD      PRO 115  -1.431  -4.556 -13.282
  897    HD3  PRO 115           2HD      PRO 115  -0.967  -6.278 -13.098
  898    H    ASP 116           H        ASP 116  -5.324  -6.982 -16.487
  899    HA   ASP 116           HA       ASP 116  -6.071  -4.214 -17.114
  900    HB2  ASP 116           1HB      ASP 116  -6.272  -5.955 -18.818
  901    HB3  ASP 116           2HB      ASP 116  -7.383  -6.865 -17.787
  902    H    ILE 117           H        ILE 117  -7.895  -3.226 -16.539
  903    HA   ILE 117           HA       ILE 117  -9.487  -4.160 -14.175
  904    HB   ILE 117           HB       ILE 117  -9.351  -1.903 -13.231
  905   HG12  ILE 117          1HG1      ILE 117  -7.287  -1.281 -15.400
  906   HG13  ILE 117          2HG1      ILE 117  -8.958  -0.723 -15.437
  907   HG21  ILE 117          1HG2      ILE 117  -7.741  -3.676 -12.521
  908   HG22  ILE 117          2HG2      ILE 117  -6.551  -3.032 -13.671
  909   HG23  ILE 117          3HG2      ILE 117  -7.108  -2.041 -12.310
  910   HD11  ILE 117          3HD1      ILE 117  -7.574   1.032 -14.623
  911   HD12  ILE 117          1HD1      ILE 117  -8.621   0.463 -13.302
  912   HD13  ILE 117          2HD1      ILE 117  -6.899  -0.014 -13.354
  913    H    SER 118           H        SER 118  -9.645  -3.221 -17.338
  914    HA   SER 118           HA       SER 118 -11.644  -1.255 -17.458
  915    HB2  SER 118           1HB      SER 118 -11.222  -3.513 -19.449
  916    HB3  SER 118           2HB      SER 118 -11.992  -1.951 -19.756
  917    HG   SER 118           HG       SER 118  -9.259  -2.548 -19.263
  918    H    SER 119           H        SER 119 -12.145  -4.601 -16.603
  919    HA   SER 119           HA       SER 119 -15.051  -4.558 -17.056
  920    HB2  SER 119           1HB      SER 119 -13.263  -6.543 -15.603
  921    HB3  SER 119           2HB      SER 119 -14.960  -6.781 -16.037
  922    HG   SER 119           HG       SER 119 -13.538  -7.759 -17.566
  923    H    CYS 120           H        CYS 120 -13.079  -3.191 -14.643
  924    HA   CYS 120           HA       CYS 120 -14.888  -3.752 -12.375
  925    HB2  CYS 120           1HB      CYS 120 -12.280  -2.219 -12.493
  926    HB3  CYS 120           2HB      CYS 120 -13.115  -2.771 -11.045
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1  -9.263  -7.355  10.256
    2    H2   GLY   1           2H       GLY   1  -8.012  -8.407  10.458
    3    H3   GLY   1           3H       GLY   1  -7.773  -6.794  10.695
    4    HA2  GLY   1           1HA      GLY   1  -8.237  -6.330   8.394
    5    HA3  GLY   1           2HA      GLY   1  -6.837  -7.393   8.595
    6    H    LYS   2           H        LYS   2  -7.978  -7.359   6.206
    7    HA   LYS   2           HA       LYS   2  -9.211  -9.987   5.809
    8    HB2  LYS   2           1HB      LYS   2 -11.223  -9.164   4.763
    9    HB3  LYS   2           2HB      LYS   2 -11.130  -8.507   6.396
   10    HG2  LYS   2           1HG      LYS   2 -10.304  -6.343   5.499
   11    HG3  LYS   2           2HG      LYS   2 -10.373  -6.985   3.855
   12    HD2  LYS   2           1HD      LYS   2 -12.782  -6.694   5.690
   13    HD3  LYS   2           2HD      LYS   2 -12.289  -5.524   4.455
   14    HE2  LYS   2           1HE      LYS   2 -12.509  -7.269   2.696
   15    HE3  LYS   2           2HE      LYS   2 -13.067  -8.423   3.916
   16    HZ1  LYS   2           3HZ      LYS   2 -14.928  -7.387   2.768
   17    HZ2  LYS   2           1HZ      LYS   2 -14.961  -6.958   4.343
   18    HZ3  LYS   2           2HZ      LYS   2 -14.447  -5.891   3.214
   19    H    THR   3           H        THR   3  -9.593 -10.452   3.493
   20    HA   THR   3           HA       THR   3  -7.495  -9.218   1.779
   21    HB   THR   3           HB       THR   3  -8.715 -11.954   1.369
   22    HG1  THR   3           1HG      THR   3  -6.927 -12.725   2.496
   23   HG21  THR   3          3HG2      THR   3  -6.532 -12.297   0.173
   24   HG22  THR   3          1HG2      THR   3  -7.487 -10.998  -0.558
   25   HG23  THR   3          2HG2      THR   3  -6.115 -10.598   0.497
   26    H    PHE   4           H        PHE   4  -7.951  -8.353  -0.087
   27    HA   PHE   4           HA       PHE   4 -10.777  -8.113  -0.998
   28    HB2  PHE   4           1HB      PHE   4  -8.283  -6.437  -1.477
   29    HB3  PHE   4           2HB      PHE   4  -9.790  -6.139  -2.294
   30    HD1  PHE   4           1HD      PHE   4  -8.266  -6.312   1.151
   31    HD2  PHE   4           2HD      PHE   4 -11.443  -4.725  -1.308
   32    HE1  PHE   4           1HE      PHE   4  -9.093  -4.982   3.065
   33    HE2  PHE   4           2HE      PHE   4 -12.264  -3.410   0.615
   34    HZ   PHE   4           HZ       PHE   4 -11.109  -3.548   2.815
   35    H    THR   5           H        THR   5 -11.195  -8.166  -3.246
   36    HA   THR   5           HA       THR   5  -9.404  -9.886  -4.925
   37    HB   THR   5           HB       THR   5 -11.708 -10.720  -4.643
   38    HG1  THR   5           1HG      THR   5 -11.877 -11.108  -6.849
   39   HG21  THR   5          3HG2      THR   5 -13.574  -9.664  -5.768
   40   HG22  THR   5          1HG2      THR   5 -12.929  -8.501  -4.603
   41   HG23  THR   5          2HG2      THR   5 -12.561  -8.328  -6.338
   42    H    ARG   6           H        ARG   6  -9.182  -9.116  -7.250
   43    HA   ARG   6           HA       ARG   6  -8.058  -6.519  -7.212
   44    HB2  ARG   6           1HB      ARG   6  -7.471  -8.344  -8.803
   45    HB3  ARG   6           2HB      ARG   6  -8.959  -8.019  -9.701
   46    HG2  ARG   6           1HG      ARG   6  -8.203  -5.694 -10.132
   47    HG3  ARG   6           2HG      ARG   6  -6.744  -5.967  -9.168
   48    HD2  ARG   6           1HD      ARG   6  -7.486  -7.451 -11.721
   49    HD3  ARG   6           2HD      ARG   6  -6.361  -6.090 -11.621
   50    HE   ARG   6           HE       ARG   6  -5.168  -7.685  -9.856
   51   HH11  ARG   6          1HH1      ARG   6  -6.584  -8.790 -12.921
   52   HH12  ARG   6          2HH1      ARG   6  -5.450 -10.102 -13.052
   53   HH21  ARG   6          1HH2      ARG   6  -3.651  -9.199 -10.199
   54   HH22  ARG   6          2HH2      ARG   6  -3.813 -10.360 -11.501
   55    H    CYS   7           H        CYS   7 -11.245  -7.512  -8.561
   56    HA   CYS   7           HA       CYS   7 -12.087  -4.927  -9.418
   57    HB2  CYS   7           1HB      CYS   7 -13.803  -7.207  -8.360
   58    HB3  CYS   7           2HB      CYS   7 -14.350  -5.858  -9.353
   59    H    GLY   8           H        GLY   8 -12.315  -6.414  -6.194
   60    HA2  GLY   8           1HA      GLY   8 -13.877  -4.288  -4.977
   61    HA3  GLY   8           2HA      GLY   8 -12.938  -5.548  -4.134
   62    H    LEU   9           H        LEU   9 -10.358  -5.061  -5.044
   63    HA   LEU   9           HA       LEU   9  -9.471  -2.807  -3.557
   64    HB2  LEU   9           1HB      LEU   9  -8.184  -4.896  -4.006
   65    HB3  LEU   9           2HB      LEU   9  -8.090  -4.475  -5.718
   66    HG   LEU   9           HG       LEU   9  -6.822  -2.428  -5.148
   67   HD11  LEU   9          1HD1      LEU   9  -7.619  -1.915  -2.921
   68   HD12  LEU   9          2HD1      LEU   9  -7.056  -3.480  -2.306
   69   HD13  LEU   9          3HD1      LEU   9  -5.884  -2.227  -2.809
   70   HD21  LEU   9          3HD2      LEU   9  -4.734  -3.519  -4.633
   71   HD22  LEU   9          1HD2      LEU   9  -5.580  -4.903  -3.900
   72   HD23  LEU   9          2HD2      LEU   9  -5.685  -4.608  -5.652
   73    H    VAL  10           H        VAL  10  -9.697  -3.202  -7.143
   74    HA   VAL  10           HA       VAL  10  -8.859  -0.626  -7.910
   75    HB   VAL  10           HB       VAL  10 -10.977  -2.457  -9.096
   76   HG11  VAL  10          1HG1      VAL  10 -11.679  -0.320  -9.911
   77   HG12  VAL  10          2HG1      VAL  10 -10.016   0.212 -10.182
   78   HG13  VAL  10          3HG1      VAL  10 -10.729  -1.041 -11.209
   79   HG21  VAL  10          3HG2      VAL  10  -9.292  -2.888 -10.810
   80   HG22  VAL  10          1HG2      VAL  10  -8.194  -1.699 -10.083
   81   HG23  VAL  10          2HG2      VAL  10  -8.587  -3.195  -9.224
   82    H    HIS  11           H        HIS  11 -12.116  -1.642  -6.873
   83    HA   HIS  11           HA       HIS  11 -13.349   0.965  -7.050
   84    HB2  HIS  11           1HB      HIS  11 -14.095  -1.568  -5.550
   85    HB3  HIS  11           2HB      HIS  11 -15.087  -0.125  -5.573
   86    HD2  HIS  11           2HD      HIS  11 -13.657  -0.507  -9.010
   87    HE1  HIS  11           1HE      HIS  11 -17.424  -2.486  -9.137
   88    HE2  HIS  11           2HE      HIS  11 -15.534  -1.555 -10.549
   89    H    GLU  12           H        GLU  12 -11.941  -0.783  -4.254
   90    HA   GLU  12           HA       GLU  12 -12.597   1.130  -2.248
   91    HB2  GLU  12           1HB      GLU  12 -11.603  -1.360  -2.212
   92    HB3  GLU  12           2HB      GLU  12 -10.075  -0.521  -2.112
   93    HG2  GLU  12           1HG      GLU  12 -10.895  -1.135   0.083
   94    HG3  GLU  12           2HG      GLU  12 -10.862   0.633  -0.075
   95    H    LEU  13           H        LEU  13  -9.734   0.871  -4.362
   96    HA   LEU  13           HA       LEU  13  -8.407   3.216  -3.271
   97    HB2  LEU  13           1HB      LEU  13  -8.115   1.727  -5.895
   98    HB3  LEU  13           2HB      LEU  13  -6.964   2.916  -5.291
   99    HG   LEU  13           HG       LEU  13  -7.628   0.300  -3.929
  100   HD11  LEU  13          1HD1      LEU  13  -6.459  -0.021  -6.050
  101   HD12  LEU  13          2HD1      LEU  13  -5.222   1.169  -5.567
  102   HD13  LEU  13          3HD1      LEU  13  -5.365  -0.377  -4.695
  103   HD21  LEU  13          3HD2      LEU  13  -5.680   0.715  -2.528
  104   HD22  LEU  13          1HD2      LEU  13  -5.457   2.318  -3.286
  105   HD23  LEU  13          2HD2      LEU  13  -6.893   1.976  -2.294
  106    H    ARG  14           H        ARG  14 -10.464   2.706  -6.161
  107    HA   ARG  14           HA       ARG  14 -10.450   5.394  -7.129
  108    HB2  ARG  14           1HB      ARG  14 -12.555   3.217  -7.208
  109    HB3  ARG  14           2HB      ARG  14 -12.873   4.814  -7.881
  110    HG2  ARG  14           1HG      ARG  14 -11.142   4.632  -9.510
  111    HG3  ARG  14           2HG      ARG  14 -10.481   3.170  -8.755
  112    HD2  ARG  14           1HD      ARG  14 -12.483   1.909  -9.257
  113    HD3  ARG  14           2HD      ARG  14 -13.282   3.355  -9.923
  114    HE   ARG  14           HE       ARG  14 -10.882   2.950 -11.350
  115   HH11  ARG  14          1HH1      ARG  14 -14.035   1.359 -10.993
  116   HH12  ARG  14          2HH1      ARG  14 -13.848   0.469 -12.491
  117   HH21  ARG  14          1HH2      ARG  14 -10.796   1.792 -13.344
  118   HH22  ARG  14          2HH2      ARG  14 -12.121   0.736 -13.759
  119    H    LYS  15           H        LYS  15 -12.537   3.935  -4.593
  120    HA   LYS  15           HA       LYS  15 -14.000   6.263  -3.823
  121    HB2  LYS  15           1HB      LYS  15 -14.729   4.017  -3.357
  122    HB3  LYS  15           2HB      LYS  15 -13.195   3.608  -2.601
  123    HG2  LYS  15           1HG      LYS  15 -13.712   5.200  -0.751
  124    HG3  LYS  15           2HG      LYS  15 -15.334   5.415  -1.450
  125    HD2  LYS  15           1HD      LYS  15 -15.810   3.028  -1.155
  126    HD3  LYS  15           2HD      LYS  15 -14.115   2.710  -0.740
  127    HE2  LYS  15           1HE      LYS  15 -14.400   4.234   1.264
  128    HE3  LYS  15           2HE      LYS  15 -16.139   4.238   0.941
  129    HZ1  LYS  15           3HZ      LYS  15 -15.400   2.494   2.548
  130    HZ2  LYS  15           1HZ      LYS  15 -16.150   1.845   1.243
  131    HZ3  LYS  15           2HZ      LYS  15 -14.520   1.774   1.360
  132    H    HIS  16           H        HIS  16 -10.881   4.917  -2.657
  133    HA   HIS  16           HA       HIS  16 -10.492   7.062  -0.731
  134    HB2  HIS  16           1HB      HIS  16  -8.743   4.728  -1.604
  135    HB3  HIS  16           2HB      HIS  16  -8.351   5.848  -0.300
  136    HD2  HIS  16           2HD      HIS  16  -8.422   3.149   0.806
  137    HE1  HIS  16           1HE      HIS  16 -12.491   3.538   1.879
  138    HE2  HIS  16           2HE      HIS  16 -10.399   2.225   2.301
  139    H    GLY  17           H        GLY  17 -10.296   7.423  -3.924
  140    HA2  GLY  17           1HA      GLY  17  -9.678   9.411  -4.958
  141    HA3  GLY  17           2HA      GLY  17  -8.611   9.810  -3.593
  142    H    PHE  18           H        PHE  18  -8.291   6.727  -5.305
  143    HA   PHE  18           HA       PHE  18  -5.616   7.503  -6.308
  144    HB2  PHE  18           1HB      PHE  18  -7.132   4.903  -6.193
  145    HB3  PHE  18           2HB      PHE  18  -5.585   5.075  -6.991
  146    HD1  PHE  18           2HD      PHE  18  -7.083   5.908  -3.583
  147    HD2  PHE  18           1HD      PHE  18  -3.740   4.356  -5.805
  148    HE1  PHE  18           2HE      PHE  18  -5.867   5.568  -1.496
  149    HE2  PHE  18           1HE      PHE  18  -2.533   3.930  -3.682
  150    HZ   PHE  18           HZ       PHE  18  -3.587   4.526  -1.517
  151    H    GLU  19           H        GLU  19  -5.101   7.693  -8.473
  152    HA   GLU  19           HA       GLU  19  -7.248   8.458 -10.259
  153    HB2  GLU  19           1HB      GLU  19  -4.259   8.161 -10.707
  154    HB3  GLU  19           2HB      GLU  19  -5.378   8.865 -11.867
  155    HG2  GLU  19           1HG      GLU  19  -4.792   9.968  -9.089
  156    HG3  GLU  19           2HG      GLU  19  -4.109  10.554 -10.600
  157    H    GLU  20           H        GLU  20  -8.148   7.390 -11.956
  158    HA   GLU  20           HA       GLU  20  -7.973   4.597 -12.183
  159    HB2  GLU  20           1HB      GLU  20  -9.385   4.790 -14.127
  160    HB3  GLU  20           2HB      GLU  20  -9.921   5.884 -12.854
  161    HG2  GLU  20           1HG      GLU  20  -8.809   7.788 -14.056
  162    HG3  GLU  20           2HG      GLU  20  -8.340   6.675 -15.345
  163    H    ASN  21           H        ASN  21  -5.994   7.011 -13.854
  164    HA   ASN  21           HA       ASN  21  -4.915   5.082 -15.755
  165    HB2  ASN  21           1HB      ASN  21  -3.651   6.812 -16.634
  166    HB3  ASN  21           2HB      ASN  21  -5.153   7.584 -16.152
  167   HD21  ASN  21          2HD2      ASN  21  -5.054   9.204 -14.440
  168   HD22  ASN  21          1HD2      ASN  21  -3.513   9.755 -13.821
  169    H    LEU  22           H        LEU  22  -4.195   5.880 -12.459
  170    HA   LEU  22           HA       LEU  22  -1.511   4.567 -12.550
  171    HB2  LEU  22           1HB      LEU  22  -2.958   5.983 -10.279
  172    HB3  LEU  22           2HB      LEU  22  -1.306   5.376 -10.249
  173    HG   LEU  22           HG       LEU  22  -2.355   7.685 -11.921
  174   HD11  LEU  22          1HD1      LEU  22  -2.082   8.159  -9.507
  175   HD12  LEU  22          2HD1      LEU  22  -0.401   7.593  -9.584
  176   HD13  LEU  22          3HD1      LEU  22  -0.897   9.047 -10.478
  177   HD21  LEU  22          3HD2      LEU  22  -0.023   8.094 -12.592
  178   HD22  LEU  22          1HD2      LEU  22   0.490   6.596 -11.784
  179   HD23  LEU  22          2HD2      LEU  22  -0.588   6.538 -13.198
  180    H    MET  23           H        MET  23  -4.805   3.945 -11.678
  181    HA   MET  23           HA       MET  23  -4.782   2.168  -9.653
  182    HB2  MET  23           1HB      MET  23  -6.679   3.088 -11.116
  183    HB3  MET  23           2HB      MET  23  -6.428   1.727 -12.168
  184    HG2  MET  23           1HG      MET  23  -8.289   1.325 -10.572
  185    HG3  MET  23           2HG      MET  23  -6.990   0.175 -10.288
  186    HE1  MET  23           3HE      MET  23  -8.149   3.818  -7.754
  187    HE2  MET  23           1HE      MET  23  -6.826   4.059  -8.922
  188    HE3  MET  23           2HE      MET  23  -8.433   3.563  -9.480
  189    H    ARG  24           H        ARG  24  -4.108   1.121 -13.045
  190    HA   ARG  24           HA       ARG  24  -3.668  -1.608 -12.556
  191    HB2  ARG  24           1HB      ARG  24  -2.256   0.192 -14.576
  192    HB3  ARG  24           2HB      ARG  24  -2.293  -1.578 -14.600
  193    HG2  ARG  24           1HG      ARG  24  -4.795  -1.484 -14.754
  194    HG3  ARG  24           2HG      ARG  24  -4.684   0.281 -14.885
  195    HD2  ARG  24           1HD      ARG  24  -4.915  -0.528 -17.097
  196    HD3  ARG  24           2HD      ARG  24  -3.219  -0.037 -16.922
  197    HE   ARG  24           HE       ARG  24  -3.581  -2.828 -16.273
  198   HH11  ARG  24          1HH1      ARG  24  -3.479  -0.747 -19.135
  199   HH12  ARG  24          2HH1      ARG  24  -2.982  -2.050 -20.172
  200   HH21  ARG  24          1HH2      ARG  24  -2.877  -4.444 -17.652
  201   HH22  ARG  24          2HH2      ARG  24  -2.660  -4.114 -19.343
  202    H    ASN  25           H        ASN  25  -1.239   1.048 -12.308
  203    HA   ASN  25           HA       ASN  25   0.964  -0.684 -11.528
  204    HB2  ASN  25           1HB      ASN  25   0.479   2.311 -11.281
  205    HB3  ASN  25           2HB      ASN  25   1.888   1.525 -10.583
  206   HD21  ASN  25          2HD2      ASN  25   0.488   2.669 -13.585
  207   HD22  ASN  25          1HD2      ASN  25   1.869   2.226 -14.567
  208    H    TRP  26           H        TRP  26  -1.441   1.264  -9.675
  209    HA   TRP  26           HA       TRP  26  -0.371   0.670  -7.111
  210    HB2  TRP  26           1HB      TRP  26  -3.077   1.603  -8.100
  211    HB3  TRP  26           2HB      TRP  26  -2.798   1.255  -6.404
  212    HD1  TRP  26           HD       TRP  26  -2.708   4.086  -8.641
  213    HE1  TRP  26           1HE      TRP  26  -1.522   6.078  -7.551
  214    HE3  TRP  26           3HE      TRP  26  -0.235   1.605  -4.912
  215    HZ2  TRP  26           2HZ      TRP  26   0.079   6.570  -5.179
  216    HZ3  TRP  26           3HZ      TRP  26   1.098   2.847  -3.245
  217    HH2  TRP  26           HH       TRP  26   1.251   5.334  -3.354
  218    H    VAL  27           H        VAL  27  -3.123  -0.997  -8.801
  219    HA   VAL  27           HA       VAL  27  -3.416  -2.864  -6.635
  220    HB   VAL  27           HB       VAL  27  -4.805  -4.244  -7.949
  221   HG11  VAL  27          1HG1      VAL  27  -5.648  -2.042  -7.133
  222   HG12  VAL  27          2HG1      VAL  27  -5.388  -1.378  -8.756
  223   HG13  VAL  27          3HG1      VAL  27  -6.530  -2.709  -8.513
  224   HG21  VAL  27          3HG2      VAL  27  -5.254  -3.856 -10.363
  225   HG22  VAL  27          1HG2      VAL  27  -3.869  -2.744 -10.419
  226   HG23  VAL  27          2HG2      VAL  27  -3.626  -4.464 -10.039
  227    H    CYS  28           H        CYS  28  -1.329  -2.982  -9.525
  228    HA   CYS  28           HA       CYS  28  -0.479  -5.708  -9.109
  229    HB2  CYS  28           1HB      CYS  28  -0.418  -4.328 -11.194
  230    HB3  CYS  28           2HB      CYS  28   0.970  -3.462 -10.555
  231    H    LEU  29           H        LEU  29   0.971  -2.571  -8.159
  232    HA   LEU  29           HA       LEU  29   3.188  -3.459  -6.647
  233    HB2  LEU  29           1HB      LEU  29   2.706  -1.171  -7.317
  234    HB3  LEU  29           2HB      LEU  29   1.273  -1.096  -6.326
  235    HG   LEU  29           HG       LEU  29   4.063  -1.405  -5.154
  236   HD11  LEU  29          1HD1      LEU  29   3.874   0.660  -6.521
  237   HD12  LEU  29          2HD1      LEU  29   2.385   1.101  -5.657
  238   HD13  LEU  29          3HD1      LEU  29   3.937   1.048  -4.805
  239   HD21  LEU  29          3HD2      LEU  29   2.923  -0.336  -3.142
  240   HD22  LEU  29          1HD2      LEU  29   1.370  -0.604  -3.946
  241   HD23  LEU  29          2HD2      LEU  29   2.399  -1.978  -3.472
  242    H    VAL  30           H        VAL  30  -0.155  -2.815  -5.489
  243    HA   VAL  30           HA       VAL  30   0.239  -3.783  -2.856
  244    HB   VAL  30           HB       VAL  30  -2.218  -3.472  -4.591
  245   HG11  VAL  30          1HG1      VAL  30  -2.847  -5.276  -3.092
  246   HG12  VAL  30          2HG1      VAL  30  -2.165  -4.407  -1.705
  247   HG13  VAL  30          3HG1      VAL  30  -3.605  -3.786  -2.551
  248   HG21  VAL  30          3HG2      VAL  30  -2.669  -1.583  -3.088
  249   HG22  VAL  30          1HG2      VAL  30  -1.268  -2.010  -2.081
  250   HG23  VAL  30          2HG2      VAL  30  -1.029  -1.425  -3.733
  251    H    GLU  31           H        GLU  31  -0.898  -5.608  -5.758
  252    HA   GLU  31           HA       GLU  31  -1.325  -8.061  -4.390
  253    HB2  GLU  31           1HB      GLU  31  -0.748  -7.340  -7.283
  254    HB3  GLU  31           2HB      GLU  31  -0.881  -9.032  -6.788
  255    HG2  GLU  31           1HG      GLU  31  -3.110  -8.764  -6.003
  256    HG3  GLU  31           2HG      GLU  31  -3.059  -7.007  -6.170
  257    H    HIS  32           H        HIS  32   1.688  -6.763  -5.810
  258    HA   HIS  32           HA       HIS  32   3.167  -9.211  -5.146
  259    HB2  HIS  32           1HB      HIS  32   3.823  -6.537  -6.353
  260    HB3  HIS  32           2HB      HIS  32   5.095  -7.694  -5.925
  261    HD2  HIS  32           2HD      HIS  32   3.200  -6.754  -8.849
  262    HE1  HIS  32           1HE      HIS  32   3.814 -10.921  -9.448
  263    HE2  HIS  32           2HE      HIS  32   3.084  -8.748 -10.563
  264    H    GLU  33           H        GLU  33   2.461  -6.251  -3.434
  265    HA   GLU  33           HA       GLU  33   4.601  -6.702  -1.454
  266    HB2  GLU  33           1HB      GLU  33   2.393  -4.642  -1.694
  267    HB3  GLU  33           2HB      GLU  33   3.420  -4.750  -0.279
  268    HG2  GLU  33           1HG      GLU  33   4.443  -4.299  -3.111
  269    HG3  GLU  33           2HG      GLU  33   4.142  -3.035  -1.927
  270    H    SER  34           H        SER  34   0.949  -6.593  -1.165
  271    HA   SER  34           HA       SER  34   1.232  -8.328   1.272
  272    HB2  SER  34           1HB      SER  34  -0.802  -7.304   2.040
  273    HB3  SER  34           2HB      SER  34   0.334  -6.020   1.607
  274    HG   SER  34           HG       SER  34  -1.008  -5.368   0.123
  275    H    SER  35           H        SER  35   0.206  -8.529  -1.941
  276    HA   SER  35           HA       SER  35  -1.278  -9.774  -3.119
  277    HB2  SER  35           1HB      SER  35  -1.431 -11.676  -0.776
  278    HB3  SER  35           2HB      SER  35  -1.845 -11.987  -2.465
  279    HG   SER  35           HG       SER  35   0.448 -11.479  -2.935
  280    H    ARG  36           H        ARG  36  -2.271  -7.573  -1.473
  281    HA   ARG  36           HA       ARG  36  -4.208  -6.482  -1.302
  282    HB2  ARG  36           1HB      ARG  36  -5.816  -8.861  -2.254
  283    HB3  ARG  36           2HB      ARG  36  -6.217  -7.148  -2.328
  284    HG2  ARG  36           1HG      ARG  36  -4.274  -6.870  -3.960
  285    HG3  ARG  36           2HG      ARG  36  -4.154  -8.623  -4.004
  286    HD2  ARG  36           1HD      ARG  36  -6.697  -7.097  -4.692
  287    HD3  ARG  36           2HD      ARG  36  -5.514  -7.631  -5.878
  288    HE   ARG  36           HE       ARG  36  -7.070  -9.432  -4.056
  289   HH11  ARG  36          1HH1      ARG  36  -5.555  -9.037  -7.281
  290   HH12  ARG  36          2HH1      ARG  36  -5.976 -10.668  -7.716
  291   HH21  ARG  36          1HH2      ARG  36  -7.495 -11.487  -4.712
  292   HH22  ARG  36          2HH2      ARG  36  -7.090 -12.009  -6.317
  293    H    ASP  37           H        ASP  37  -3.127  -8.014   0.877
  294    HA   ASP  37           HA       ASP  37  -5.566  -8.615   2.544
  295    HB2  ASP  37           1HB      ASP  37  -4.371 -10.669   2.041
  296    HB3  ASP  37           2HB      ASP  37  -2.852  -9.948   2.550
  297    H    THR  38           H        THR  38  -5.887  -7.154   4.096
  298    HA   THR  38           HA       THR  38  -3.837  -5.217   4.786
  299    HB   THR  38           HB       THR  38  -5.328  -4.368   6.519
  300    HG1  THR  38           1HG      THR  38  -7.288  -5.208   6.824
  301   HG21  THR  38          3HG2      THR  38  -7.178  -3.624   5.111
  302   HG22  THR  38          1HG2      THR  38  -5.642  -3.549   4.240
  303   HG23  THR  38          2HG2      THR  38  -6.795  -4.873   3.909
  304    H    SER  39           H        SER  39  -4.671  -8.356   6.155
  305    HA   SER  39           HA       SER  39  -3.456  -7.828   8.757
  306    HB2  SER  39           1HB      SER  39  -4.344 -10.393   7.389
  307    HB3  SER  39           2HB      SER  39  -3.776 -10.272   9.051
  308    HG   SER  39           HG       SER  39  -6.059 -10.227   8.923
  309    H    LYS  40           H        LYS  40  -1.989  -8.245   5.749
  310    HA   LYS  40           HA       LYS  40  -0.053 -10.242   6.437
  311    HB2  LYS  40           1HB      LYS  40  -0.963  -9.455   4.109
  312    HB3  LYS  40           2HB      LYS  40   0.270  -8.214   4.204
  313    HG2  LYS  40           1HG      LYS  40   1.307  -9.954   2.983
  314    HG3  LYS  40           2HG      LYS  40   1.960 -10.157   4.599
  315    HD2  LYS  40           1HD      LYS  40   1.371 -12.354   3.891
  316    HD3  LYS  40           2HD      LYS  40   0.068 -11.887   4.988
  317    HE2  LYS  40           1HE      LYS  40  -1.005 -10.968   2.684
  318    HE3  LYS  40           2HE      LYS  40   0.076 -12.166   1.979
  319    HZ1  LYS  40           3HZ      LYS  40  -2.022 -13.190   2.401
  320    HZ2  LYS  40           1HZ      LYS  40  -1.025 -13.796   3.550
  321    HZ3  LYS  40           2HZ      LYS  40  -2.118 -12.611   3.922
  322    H    THR  41           H        THR  41   2.063 -10.151   6.940
  323    HA   THR  41           HA       THR  41   3.463  -7.603   7.417
  324    HB   THR  41           HB       THR  41   4.347  -8.605   9.634
  325    HG1  THR  41           1HG      THR  41   3.347 -10.637   9.404
  326   HG21  THR  41          3HG2      THR  41   2.561  -7.662  10.999
  327   HG22  THR  41          1HG2      THR  41   3.002  -6.597   9.673
  328   HG23  THR  41          2HG2      THR  41   1.499  -7.553   9.574
  329    H    ASN  42           H        ASN  42   5.640  -7.690   7.494
  330    HA   ASN  42           HA       ASN  42   7.065 -10.241   6.985
  331    HB2  ASN  42           1HB      ASN  42   6.933  -7.853   5.097
  332    HB3  ASN  42           2HB      ASN  42   8.296  -8.961   5.102
  333   HD21  ASN  42          2HD2      ASN  42   4.993  -8.536   4.063
  334   HD22  ASN  42          1HD2      ASN  42   4.878 -10.091   3.243
  335    H    THR  43           H        THR  43   8.991 -10.295   8.013
  336    HA   THR  43           HA       THR  43   9.852  -7.890   9.555
  337    HB   THR  43           HB       THR  43  10.551 -10.808  10.023
  338    HG1  THR  43           1HG      THR  43   8.860 -10.801  11.448
  339   HG21  THR  43          3HG2      THR  43  10.952  -9.978  12.359
  340   HG22  THR  43          1HG2      THR  43  12.069  -9.266  11.194
  341   HG23  THR  43          2HG2      THR  43  10.690  -8.313  11.791
  342    H    ASN  44           H        ASN  44  11.948  -7.206   9.615
  343    HA   ASN  44           HA       ASN  44  13.671  -8.016   7.312
  344    HB2  ASN  44           1HB      ASN  44  13.382  -5.346   8.743
  345    HB3  ASN  44           2HB      ASN  44  14.429  -5.664   7.364
  346   HD21  ASN  44          2HD2      ASN  44  11.083  -5.272   8.398
  347   HD22  ASN  44          1HD2      ASN  44  10.396  -5.171   6.759
  348    H    ARG  45           H        ARG  45  15.976  -7.657   7.536
  349    HA   ARG  45           HA       ARG  45  17.102  -9.090   9.698
  350    HB2  ARG  45           1HB      ARG  45  18.565  -7.209   7.800
  351    HB3  ARG  45           2HB      ARG  45  19.268  -8.546   8.705
  352    HG2  ARG  45           1HG      ARG  45  17.243  -8.765   6.443
  353    HG3  ARG  45           2HG      ARG  45  18.970  -9.111   6.350
  354    HD2  ARG  45           1HD      ARG  45  18.694 -10.957   7.994
  355    HD3  ARG  45           2HD      ARG  45  16.946 -10.639   8.043
  356    HE   ARG  45           HE       ARG  45  17.726 -11.009   5.336
  357   HH11  ARG  45          1HH1      ARG  45  17.371 -12.978   8.256
  358   HH12  ARG  45          2HH1      ARG  45  17.048 -14.426   7.350
  359   HH21  ARG  45          1HH2      ARG  45  17.304 -12.913   4.229
  360   HH22  ARG  45          2HH2      ARG  45  17.014 -14.387   5.103
  361    H    ASN  46           H        ASN  46  16.629  -5.640   9.388
  362    HA   ASN  46           HA       ASN  46  18.379  -4.914  11.614
  363    HB2  ASN  46           1HB      ASN  46  16.222  -3.297  10.196
  364    HB3  ASN  46           2HB      ASN  46  17.451  -2.661  11.291
  365   HD21  ASN  46          2HD2      ASN  46  19.860  -3.520  10.526
  366   HD22  ASN  46          1HD2      ASN  46  20.139  -3.170   8.831
  367    H    GLY  47           H        GLY  47  15.365  -6.432  11.669
  368    HA2  GLY  47           1HA      GLY  47  14.056  -6.943  13.539
  369    HA3  GLY  47           2HA      GLY  47  14.797  -5.607  14.455
  370    H    SER  48           H        SER  48  13.878  -4.347  11.497
  371    HA   SER  48           HA       SER  48  11.381  -3.151  12.495
  372    HB2  SER  48           1HB      SER  48  11.454  -1.983  10.291
  373    HB3  SER  48           2HB      SER  48  12.845  -1.682  11.339
  374    HG   SER  48           HG       SER  48  13.512  -2.103   9.186
  375    H    LYS  49           H        LYS  49   9.419  -3.228  11.218
  376    HA   LYS  49           HA       LYS  49   9.039  -5.672   9.565
  377    HB2  LYS  49           1HB      LYS  49   8.523  -6.058  12.042
  378    HB3  LYS  49           2HB      LYS  49   7.162  -4.964  11.838
  379    HG2  LYS  49           1HG      LYS  49   6.261  -6.466  10.042
  380    HG3  LYS  49           2HG      LYS  49   7.595  -7.579  10.363
  381    HD2  LYS  49           1HD      LYS  49   5.396  -6.793  12.310
  382    HD3  LYS  49           2HD      LYS  49   5.542  -8.324  11.441
  383    HE2  LYS  49           1HE      LYS  49   7.733  -8.736  12.578
  384    HE3  LYS  49           2HE      LYS  49   7.483  -7.262  13.523
  385    HZ1  LYS  49           3HZ      LYS  49   6.760  -9.223  14.743
  386    HZ2  LYS  49           1HZ      LYS  49   5.467  -8.271  14.441
  387    HZ3  LYS  49           2HZ      LYS  49   5.704  -9.637  13.568
  388    H    ASP  50           H        ASP  50   7.391  -5.623   8.151
  389    HA   ASP  50           HA       ASP  50   6.325  -2.965   7.364
  390    HB2  ASP  50           1HB      ASP  50   6.502  -5.566   5.793
  391    HB3  ASP  50           2HB      ASP  50   6.057  -3.979   5.180
  392    H    TYR  51           H        TYR  51   4.134  -2.630   7.211
  393    HA   TYR  51           HA       TYR  51   2.244  -4.813   8.042
  394    HB2  TYR  51           1HB      TYR  51   2.468  -1.940   9.019
  395    HB3  TYR  51           2HB      TYR  51   1.189  -3.052   9.466
  396    HD1  TYR  51           2HD      TYR  51   4.816  -2.310   9.808
  397    HD2  TYR  51           1HD      TYR  51   1.481  -4.618  11.254
  398    HE1  TYR  51           2HE      TYR  51   6.114  -2.915  11.830
  399    HE2  TYR  51           1HE      TYR  51   2.764  -5.212  13.297
  400    HH   TYR  51           HH       TYR  51   4.732  -4.931  14.466
  401    H    GLY  52           H        GLY  52   0.080  -4.632   7.389
  402    HA2  GLY  52           1HA      GLY  52  -1.821  -3.745   6.386
  403    HA3  GLY  52           2HA      GLY  52  -0.958  -2.216   6.157
  404    H    LEU  53           H        LEU  53  -2.513  -2.578   4.213
  405    HA   LEU  53           HA       LEU  53  -1.903  -4.553   2.332
  406    HB2  LEU  53           1HB      LEU  53  -3.929  -2.695   2.669
  407    HB3  LEU  53           2HB      LEU  53  -3.031  -1.894   1.391
  408    HG   LEU  53           HG       LEU  53  -3.137  -4.344   0.267
  409   HD11  LEU  53          1HD1      LEU  53  -4.216  -5.350   2.220
  410   HD12  LEU  53          2HD1      LEU  53  -5.599  -4.244   2.041
  411   HD13  LEU  53          3HD1      LEU  53  -5.274  -5.433   0.791
  412   HD21  LEU  53          3HD2      LEU  53  -5.200  -3.732  -0.851
  413   HD22  LEU  53          1HD2      LEU  53  -5.492  -2.444   0.356
  414   HD23  LEU  53          2HD2      LEU  53  -4.097  -2.335  -0.744
  415    H    PHE  54           H        PHE  54  -0.298  -1.509   2.648
  416    HA   PHE  54           HA       PHE  54   1.103  -1.885   0.042
  417    HB2  PHE  54           1HB      PHE  54   1.000   0.479   1.946
  418    HB3  PHE  54           2HB      PHE  54   1.849   0.446   0.412
  419    HD1  PHE  54           2HD      PHE  54  -1.533   0.346   1.959
  420    HD2  PHE  54           1HD      PHE  54   0.705   0.791  -1.690
  421    HE1  PHE  54           2HE      PHE  54  -3.591   1.067   0.804
  422    HE2  PHE  54           1HE      PHE  54  -1.360   1.548  -2.842
  423    HZ   PHE  54           HZ       PHE  54  -3.508   1.685  -1.612
  424    H    GLN  55           H        GLN  55   1.532  -3.120   3.019
  425    HA   GLN  55           HA       GLN  55   3.213  -3.714   4.379
  426    HB2  GLN  55           1HB      GLN  55   4.618  -3.954   1.692
  427    HB3  GLN  55           2HB      GLN  55   5.291  -4.581   3.188
  428    HG2  GLN  55           1HG      GLN  55   2.652  -5.458   1.957
  429    HG3  GLN  55           2HG      GLN  55   4.182  -6.338   1.938
  430   HE21  GLN  55          2HE2      GLN  55   1.333  -5.564   3.911
  431   HE22  GLN  55          1HE2      GLN  55   1.853  -6.491   5.293
  432    H    ILE  56           H        ILE  56   2.996  -1.466   5.126
  433    HA   ILE  56           HA       ILE  56   5.138   0.433   4.462
  434    HB   ILE  56           HB       ILE  56   2.887   0.740   6.502
  435   HG12  ILE  56          1HG1      ILE  56   2.943   1.266   3.480
  436   HG13  ILE  56          2HG1      ILE  56   1.838   0.167   4.330
  437   HG21  ILE  56          1HG2      ILE  56   4.743   2.318   6.637
  438   HG22  ILE  56          2HG2      ILE  56   4.481   2.778   4.934
  439   HG23  ILE  56          3HG2      ILE  56   3.244   3.102   6.178
  440   HD11  ILE  56          3HD1      ILE  56   0.538   2.026   3.744
  441   HD12  ILE  56          1HD1      ILE  56   0.876   2.251   5.475
  442   HD13  ILE  56          2HD1      ILE  56   1.786   3.170   4.244
  443    H    ASN  57           H        ASN  57   6.911   0.854   5.709
  444    HA   ASN  57           HA       ASN  57   7.447  -1.081   7.822
  445    HB2  ASN  57           1HB      ASN  57   8.980  -0.461   5.867
  446    HB3  ASN  57           2HB      ASN  57   9.321   1.026   6.758
  447   HD21  ASN  57          2HD2      ASN  57   9.764  -2.461   6.669
  448   HD22  ASN  57          1HD2      ASN  57  10.978  -2.518   7.955
  449    H    ASP  58           H        ASP  58   7.768  -0.733   9.931
  450    HA   ASP  58           HA       ASP  58   6.804   1.600  11.191
  451    HB2  ASP  58           1HB      ASP  58   7.156   0.576  13.203
  452    HB3  ASP  58           2HB      ASP  58   6.838  -0.754  12.096
  453    H    ARG  59           H        ARG  59   9.964   1.106   9.949
  454    HA   ARG  59           HA       ARG  59  11.268   3.051  11.731
  455    HB2  ARG  59           1HB      ARG  59  12.417   1.048  10.867
  456    HB3  ARG  59           2HB      ARG  59  12.275   1.679   9.216
  457    HG2  ARG  59           1HG      ARG  59  13.771   3.484   9.659
  458    HG3  ARG  59           2HG      ARG  59  13.642   3.269  11.409
  459    HD2  ARG  59           1HD      ARG  59  15.794   2.478  10.546
  460    HD3  ARG  59           2HD      ARG  59  14.861   1.189  11.333
  461    HE   ARG  59           HE       ARG  59  14.299   1.084   8.560
  462   HH11  ARG  59          1HH1      ARG  59  17.114   0.578  10.639
  463   HH12  ARG  59          2HH1      ARG  59  17.808  -0.598   9.561
  464   HH21  ARG  59          1HH2      ARG  59  15.252  -0.491   7.237
  465   HH22  ARG  59          2HH2      ARG  59  16.682  -1.328   7.782
  466    H    TYR  60           H        TYR  60   9.589   3.121   8.634
  467    HA   TYR  60           HA       TYR  60  10.795   5.790   7.993
  468    HB2  TYR  60           1HB      TYR  60   9.513   3.726   6.193
  469    HB3  TYR  60           2HB      TYR  60  10.309   5.199   5.672
  470    HD1  TYR  60           1HD      TYR  60  12.832   5.108   7.390
  471    HD2  TYR  60           2HD      TYR  60  10.768   2.044   5.157
  472    HE1  TYR  60           1HE      TYR  60  14.953   3.850   7.159
  473    HE2  TYR  60           2HE      TYR  60  12.895   0.783   4.924
  474    HH   TYR  60           HH       TYR  60  15.997   2.013   6.243
  475    H    TRP  61           H        TRP  61   7.568   4.213   8.143
  476    HA   TRP  61           HA       TRP  61   6.354   6.896   7.512
  477    HB2  TRP  61           1HB      TRP  61   5.589   4.272   6.292
  478    HB3  TRP  61           2HB      TRP  61   4.914   5.827   5.876
  479    HD1  TRP  61           HD       TRP  61   7.187   3.324   4.679
  480    HE1  TRP  61           1HE      TRP  61   8.719   4.181   2.809
  481    HE3  TRP  61           3HE      TRP  61   6.362   8.350   5.204
  482    HZ2  TRP  61           2HZ      TRP  61   9.358   6.708   1.580
  483    HZ3  TRP  61           3HZ      TRP  61   7.274   9.937   3.542
  484    HH2  TRP  61           HH       TRP  61   8.805   9.132   1.742
  485    H    CYS  62           H        CYS  62   5.677   3.633   8.937
  486    HA   CYS  62           HA       CYS  62   3.542   4.980  10.552
  487    HB2  CYS  62           1HB      CYS  62   2.788   2.617  11.015
  488    HB3  CYS  62           2HB      CYS  62   2.532   3.230   9.399
  489    H    SER  63           H        SER  63   3.328   4.282  12.785
  490    HA   SER  63           HA       SER  63   5.960   4.002  14.183
  491    HB2  SER  63           1HB      SER  63   4.615   6.032  14.649
  492    HB3  SER  63           2HB      SER  63   3.256   5.012  15.140
  493    HG   SER  63           HG       SER  63   4.305   5.545  16.994
  494    H    LYS  64           H        LYS  64   6.391   2.243  15.456
  495    HA   LYS  64           HA       LYS  64   4.385   0.106  15.758
  496    HB2  LYS  64           1HB      LYS  64   6.210  -1.163  16.729
  497    HB3  LYS  64           2HB      LYS  64   6.675  -0.497  15.176
  498    HG2  LYS  64           1HG      LYS  64   8.357   0.783  16.067
  499    HG3  LYS  64           2HG      LYS  64   7.410   1.264  17.461
  500    HD2  LYS  64           1HD      LYS  64   9.318  -0.025  18.212
  501    HD3  LYS  64           2HD      LYS  64   7.814  -0.856  18.580
  502    HE2  LYS  64           1HE      LYS  64   9.304  -2.533  17.846
  503    HE3  LYS  64           2HE      LYS  64   8.161  -2.292  16.522
  504    HZ1  LYS  64           3HZ      LYS  64  10.476  -2.422  15.759
  505    HZ2  LYS  64           1HZ      LYS  64   9.840  -0.965  15.382
  506    HZ3  LYS  64           2HZ      LYS  64  10.885  -1.107  16.641
  507    H    GLY  65           H        GLY  65   5.048   2.844  17.564
  508    HA2  GLY  65           1HA      GLY  65   5.142   1.733  20.247
  509    HA3  GLY  65           2HA      GLY  65   5.033   3.444  19.800
  510    H    ALA  66           H        ALA  66   3.682   3.562  21.710
  511    HA   ALA  66           HA       ALA  66   0.995   2.409  21.672
  512    HB1  ALA  66           1HB      ALA  66   2.268   2.797  23.762
  513    HB2  ALA  66           2HB      ALA  66   2.257   4.550  23.444
  514    HB3  ALA  66           3HB      ALA  66   0.736   3.690  23.756
  515    H    SER  67           H        SER  67   2.337   5.045  20.030
  516    HA   SER  67           HA       SER  67  -0.316   6.231  19.424
  517    HB2  SER  67           1HB      SER  67   2.123   7.771  20.408
  518    HB3  SER  67           2HB      SER  67   0.699   8.518  19.674
  519    HG   SER  67           HG       SER  67   0.616   8.531  21.985
  520    HA   PRO  68           HA       PRO  68   1.584   6.586  15.311
  521    HB2  PRO  68           1HB      PRO  68   0.122   8.610  14.220
  522    HB3  PRO  68           2HB      PRO  68  -0.565   6.978  14.518
  523    HG2  PRO  68           1HG      PRO  68  -0.799   9.442  16.272
  524    HG3  PRO  68           2HG      PRO  68  -2.111   8.355  15.706
  525    HD2  PRO  68           1HD      PRO  68  -0.973   8.061  18.151
  526    HD3  PRO  68           2HD      PRO  68  -1.453   6.636  17.184
  527    H    GLY  69           H        GLY  69   3.012   8.089  14.148
  528    HA2  GLY  69           1HA      GLY  69   3.809  10.654  14.997
  529    HA3  GLY  69           2HA      GLY  69   4.645   9.542  16.061
  530    H    LYS  70           H        LYS  70   4.026  10.200  12.647
  531    HA   LYS  70           HA       LYS  70   6.841   9.966  11.851
  532    HB2  LYS  70           1HB      LYS  70   4.650   8.118  10.796
  533    HB3  LYS  70           2HB      LYS  70   6.153   8.379   9.926
  534    HG2  LYS  70           1HG      LYS  70   5.921   7.092  12.646
  535    HG3  LYS  70           2HG      LYS  70   6.151   6.296  11.096
  536    HD2  LYS  70           1HD      LYS  70   8.327   7.396  10.792
  537    HD3  LYS  70           2HD      LYS  70   8.152   8.166  12.391
  538    HE2  LYS  70           1HE      LYS  70   7.978   5.930  13.447
  539    HE3  LYS  70           2HE      LYS  70   8.153   5.157  11.869
  540    HZ1  LYS  70           3HZ      LYS  70  10.247   5.238  13.090
  541    HZ2  LYS  70           1HZ      LYS  70  10.388   6.103  11.710
  542    HZ3  LYS  70           2HZ      LYS  70  10.214   6.870  13.151
  543    H    ASP  71           H        ASP  71   6.825  10.253   9.297
  544    HA   ASP  71           HA       ASP  71   5.754  12.800   8.605
  545    HB2  ASP  71           1HB      ASP  71   7.725  11.658   7.572
  546    HB3  ASP  71           2HB      ASP  71   6.627  10.536   6.767
  547    H    CYS  72           H        CYS  72   4.311   9.596   8.323
  548    HA   CYS  72           HA       CYS  72   1.921  10.668   6.894
  549    HB2  CYS  72           1HB      CYS  72   2.656   7.814   7.559
  550    HB3  CYS  72           2HB      CYS  72   1.359   8.363   6.512
  551    H    ASN  73           H        ASN  73   2.805  10.382  10.095
  552    HA   ASN  73           HA       ASN  73   1.721  10.239  12.067
  553    HB2  ASN  73           1HB      ASN  73   1.126  12.434  11.045
  554    HB3  ASN  73           2HB      ASN  73  -0.389  11.736  10.474
  555   HD21  ASN  73          2HD2      ASN  73  -1.610  13.280  11.757
  556   HD22  ASN  73          1HD2      ASN  73  -1.706  13.107  13.501
  557    H    VAL  74           H        VAL  74   1.548   7.796  11.325
  558    HA   VAL  74           HA       VAL  74  -1.122   6.830  12.107
  559    HB   VAL  74           HB       VAL  74  -1.128   7.121   9.623
  560   HG11  VAL  74          1HG1      VAL  74   1.244   6.583   9.143
  561   HG12  VAL  74          2HG1      VAL  74   0.946   4.887   9.587
  562   HG13  VAL  74          3HG1      VAL  74   0.127   5.592   8.189
  563   HG21  VAL  74          3HG2      VAL  74  -2.148   5.008   9.106
  564   HG22  VAL  74          1HG2      VAL  74  -1.355   4.224  10.488
  565   HG23  VAL  74          2HG2      VAL  74  -2.588   5.479  10.754
  566    H    LYS  75           H        LYS  75  -1.150   4.747  12.918
  567    HA   LYS  75           HA       LYS  75   1.461   3.728  13.899
  568    HB2  LYS  75           1HB      LYS  75  -0.668   4.539  15.271
  569    HB3  LYS  75           2HB      LYS  75  -1.219   2.888  14.987
  570    HG2  LYS  75           1HG      LYS  75   0.898   2.053  16.062
  571    HG3  LYS  75           2HG      LYS  75   1.413   3.734  16.276
  572    HD2  LYS  75           1HD      LYS  75   0.520   3.365  18.353
  573    HD3  LYS  75           2HD      LYS  75  -0.879   4.026  17.541
  574    HE2  LYS  75           1HE      LYS  75  -1.660   2.172  18.777
  575    HE3  LYS  75           2HE      LYS  75  -1.650   1.629  17.094
  576    HZ1  LYS  75           3HZ      LYS  75  -0.670   0.021  18.725
  577    HZ2  LYS  75           1HZ      LYS  75   0.405   0.432  17.558
  578    HZ3  LYS  75           2HZ      LYS  75   0.540   1.083  19.039
  579    H    CYS  76           H        CYS  76   2.160   1.659  13.516
  580    HA   CYS  76           HA       CYS  76   1.519   0.230  11.220
  581    HB2  CYS  76           1HB      CYS  76   2.611  -0.888  13.837
  582    HB3  CYS  76           2HB      CYS  76   2.796  -1.598  12.240
  583    H    SER  77           H        SER  77   0.109  -0.328  14.454
  584    HA   SER  77           HA       SER  77  -1.284  -2.760  13.740
  585    HB2  SER  77           1HB      SER  77  -0.619  -2.009  16.051
  586    HB3  SER  77           2HB      SER  77  -1.956  -0.842  15.992
  587    HG   SER  77           HG       SER  77  -2.543  -2.850  17.006
  588    H    ASP  78           H        ASP  78  -2.242   0.686  13.508
  589    HA   ASP  78           HA       ASP  78  -5.043   0.112  12.969
  590    HB2  ASP  78           1HB      ASP  78  -3.312   2.586  12.639
  591    HB3  ASP  78           2HB      ASP  78  -5.003   2.528  12.162
  592    H    LEU  79           H        LEU  79  -2.196  -0.178  11.066
  593    HA   LEU  79           HA       LEU  79  -3.513   0.092   8.460
  594    HB2  LEU  79           1HB      LEU  79  -0.887  -1.319   9.058
  595    HB3  LEU  79           2HB      LEU  79  -1.459  -0.662   7.531
  596    HG   LEU  79           HG       LEU  79  -0.539   0.937   9.946
  597   HD11  LEU  79          1HD1      LEU  79   1.269  -0.065   8.659
  598   HD12  LEU  79          2HD1      LEU  79   0.567   0.522   7.138
  599   HD13  LEU  79          3HD1      LEU  79   1.217   1.672   8.324
  600   HD21  LEU  79          3HD2      LEU  79  -0.811   2.926   8.429
  601   HD22  LEU  79          1HD2      LEU  79  -1.684   1.878   7.296
  602   HD23  LEU  79          2HD2      LEU  79  -2.352   2.197   8.911
  603    H    LEU  80           H        LEU  80  -3.500  -2.321  10.877
  604    HA   LEU  80           HA       LEU  80  -3.952  -4.567   9.012
  605    HB2  LEU  80           1HB      LEU  80  -3.844  -4.592  12.040
  606    HB3  LEU  80           2HB      LEU  80  -3.776  -5.981  10.963
  607    HG   LEU  80           HG       LEU  80  -1.645  -3.826  11.224
  608   HD11  LEU  80          1HD1      LEU  80  -1.814  -5.334  13.174
  609   HD12  LEU  80          2HD1      LEU  80  -1.676  -6.746  12.103
  610   HD13  LEU  80          3HD1      LEU  80  -0.316  -5.620  12.279
  611   HD21  LEU  80          3HD2      LEU  80  -0.233  -5.332   9.821
  612   HD22  LEU  80          1HD2      LEU  80  -1.654  -6.348   9.516
  613   HD23  LEU  80          2HD2      LEU  80  -1.607  -4.664   8.939
  614    H    THR  81           H        THR  81  -5.914  -2.222   9.810
  615    HA   THR  81           HA       THR  81  -8.232  -3.576  10.952
  616    HB   THR  81           HB       THR  81  -9.379  -1.401  10.479
  617    HG1  THR  81           1HG      THR  81  -6.912  -0.234   9.930
  618   HG21  THR  81          3HG2      THR  81  -8.082  -0.079  12.118
  619   HG22  THR  81          1HG2      THR  81  -8.323  -1.755  12.640
  620   HG23  THR  81          2HG2      THR  81  -6.748  -1.248  12.008
  621    H    ASP  82           H        ASP  82 -10.403  -3.113   9.781
  622    HA   ASP  82           HA       ASP  82 -10.285  -4.807   7.375
  623    HB2  ASP  82           1HB      ASP  82 -12.682  -3.877   8.997
  624    HB3  ASP  82           2HB      ASP  82 -12.658  -5.170   7.797
  625    H    ASP  83           H        ASP  83  -9.953  -1.673   7.557
  626    HA   ASP  83           HA       ASP  83 -11.070  -1.276   4.851
  627    HB2  ASP  83           1HB      ASP  83 -12.575  -0.066   6.467
  628    HB3  ASP  83           2HB      ASP  83 -11.195   0.923   6.949
  629    H    ILE  84           H        ILE  84  -9.509  -0.713   3.541
  630    HA   ILE  84           HA       ILE  84  -6.786  -0.733   4.403
  631    HB   ILE  84           HB       ILE  84  -6.240  -0.637   2.083
  632   HG12  ILE  84          1HG1      ILE  84  -9.075   0.359   1.532
  633   HG13  ILE  84          2HG1      ILE  84  -7.617   1.346   1.516
  634   HG21  ILE  84          1HG2      ILE  84  -7.517  -2.693   2.919
  635   HG22  ILE  84          2HG2      ILE  84  -8.961  -2.027   2.160
  636   HG23  ILE  84          3HG2      ILE  84  -7.566  -2.460   1.171
  637   HD11  ILE  84          3HD1      ILE  84  -8.255   0.835  -0.723
  638   HD12  ILE  84          1HD1      ILE  84  -6.690   0.067  -0.334
  639   HD13  ILE  84          2HD1      ILE  84  -8.186  -0.908  -0.413
  640    H    THR  85           H        THR  85  -8.926   1.886   4.366
  641    HA   THR  85           HA       THR  85  -7.560   3.988   3.216
  642    HB   THR  85           HB       THR  85  -9.883   4.015   3.888
  643    HG1  THR  85           1HG      THR  85  -8.920   5.936   3.423
  644   HG21  THR  85          3HG2      THR  85 -10.598   4.563   6.112
  645   HG22  THR  85          1HG2      THR  85  -9.647   3.071   6.184
  646   HG23  THR  85          2HG2      THR  85  -8.922   4.613   6.705
  647    H    LYS  86           H        LYS  86  -6.954   2.824   6.540
  648    HA   LYS  86           HA       LYS  86  -5.261   5.035   7.289
  649    HB2  LYS  86           1HB      LYS  86  -5.128   2.128   8.209
  650    HB3  LYS  86           2HB      LYS  86  -4.396   3.509   9.020
  651    HG2  LYS  86           1HG      LYS  86  -7.363   2.942   8.720
  652    HG3  LYS  86           2HG      LYS  86  -6.393   2.824  10.185
  653    HD2  LYS  86           1HD      LYS  86  -5.919   5.323   9.949
  654    HD3  LYS  86           2HD      LYS  86  -7.168   5.369   8.696
  655    HE2  LYS  86           1HE      LYS  86  -7.550   4.429  11.581
  656    HE3  LYS  86           2HE      LYS  86  -7.983   6.027  10.971
  657    HZ1  LYS  86           3HZ      LYS  86  -9.903   4.569  11.027
  658    HZ2  LYS  86           1HZ      LYS  86  -9.581   4.964   9.477
  659    HZ3  LYS  86           2HZ      LYS  86  -9.189   3.475  10.049
  660    H    ALA  87           H        ALA  87  -4.626   2.129   5.406
  661    HA   ALA  87           HA       ALA  87  -1.715   2.651   5.244
  662    HB1  ALA  87           1HB      ALA  87  -2.755   0.325   5.466
  663    HB2  ALA  87           2HB      ALA  87  -3.380   0.530   3.812
  664    HB3  ALA  87           3HB      ALA  87  -1.623   0.540   4.128
  665    H    ALA  88           H        ALA  88  -4.625   2.828   3.167
  666    HA   ALA  88           HA       ALA  88  -3.274   3.590   0.792
  667    HB1  ALA  88           1HB      ALA  88  -5.600   2.663   0.987
  668    HB2  ALA  88           2HB      ALA  88  -6.135   4.243   1.622
  669    HB3  ALA  88           3HB      ALA  88  -5.479   4.111  -0.016
  670    H    LYS  89           H        LYS  89  -4.710   5.729   3.330
  671    HA   LYS  89           HA       LYS  89  -4.019   8.193   1.975
  672    HB2  LYS  89           1HB      LYS  89  -4.636   7.445   4.850
  673    HB3  LYS  89           2HB      LYS  89  -4.289   9.109   4.358
  674    HG2  LYS  89           1HG      LYS  89  -6.175   9.214   2.893
  675    HG3  LYS  89           2HG      LYS  89  -6.472   7.471   3.007
  676    HD2  LYS  89           1HD      LYS  89  -7.095   7.645   5.335
  677    HD3  LYS  89           2HD      LYS  89  -6.700   9.378   5.376
  678    HE2  LYS  89           1HE      LYS  89  -8.513   9.968   3.975
  679    HE3  LYS  89           2HE      LYS  89  -8.675   8.327   3.336
  680    HZ1  LYS  89           3HZ      LYS  89 -10.432   8.859   4.927
  681    HZ2  LYS  89           1HZ      LYS  89  -9.531   7.587   5.420
  682    HZ3  LYS  89           2HZ      LYS  89  -9.336   9.063   6.127
  683    H    CYS  90           H        CYS  90  -2.228   6.105   4.189
  684    HA   CYS  90           HA       CYS  90   0.106   7.842   4.440
  685    HB2  CYS  90           1HB      CYS  90  -0.409   6.163   6.086
  686    HB3  CYS  90           2HB      CYS  90  -0.344   4.868   4.886
  687    H    ALA  91           H        ALA  91  -0.800   5.164   2.214
  688    HA   ALA  91           HA       ALA  91   1.534   5.214   0.626
  689    HB1  ALA  91           1HB      ALA  91  -0.225   3.459   0.613
  690    HB2  ALA  91           2HB      ALA  91  -1.311   4.574  -0.230
  691    HB3  ALA  91           3HB      ALA  91   0.184   4.044  -1.014
  692    H    LYS  92           H        LYS  92  -1.402   7.382   0.333
  693    HA   LYS  92           HA       LYS  92  -0.349   8.797  -1.917
  694    HB2  LYS  92           1HB      LYS  92  -1.997  10.066   0.289
  695    HB3  LYS  92           2HB      LYS  92  -1.851  10.561  -1.394
  696    HG2  LYS  92           1HG      LYS  92  -3.364   8.224  -0.254
  697    HG3  LYS  92           2HG      LYS  92  -3.990   9.605  -1.079
  698    HD2  LYS  92           1HD      LYS  92  -2.235   8.347  -2.968
  699    HD3  LYS  92           2HD      LYS  92  -3.056   7.046  -2.104
  700    HE2  LYS  92           1HE      LYS  92  -4.338   7.560  -4.055
  701    HE3  LYS  92           2HE      LYS  92  -5.257   8.117  -2.651
  702    HZ1  LYS  92           3HZ      LYS  92  -5.242   9.768  -4.440
  703    HZ2  LYS  92           1HZ      LYS  92  -4.476  10.382  -3.133
  704    HZ3  LYS  92           2HZ      LYS  92  -3.608   9.856  -4.420
  705    H    LYS  93           H        LYS  93   0.166   9.404   1.589
  706    HA   LYS  93           HA       LYS  93   1.853  11.699   1.181
  707    HB2  LYS  93           1HB      LYS  93   0.635  11.195   3.275
  708    HB3  LYS  93           2HB      LYS  93   1.660   9.787   3.537
  709    HG2  LYS  93           1HG      LYS  93   2.308  11.684   4.932
  710    HG3  LYS  93           2HG      LYS  93   3.624  11.199   3.867
  711    HD2  LYS  93           1HD      LYS  93   3.212  13.121   2.405
  712    HD3  LYS  93           2HD      LYS  93   1.749  13.549   3.333
  713    HE2  LYS  93           1HE      LYS  93   3.168  13.862   5.362
  714    HE3  LYS  93           2HE      LYS  93   4.602  13.462   4.416
  715    HZ1  LYS  93           3HZ      LYS  93   4.301  15.855   4.618
  716    HZ2  LYS  93           1HZ      LYS  93   4.166  15.427   3.045
  717    HZ3  LYS  93           2HZ      LYS  93   2.828  15.790   3.918
  718    H    ILE  94           H        ILE  94   2.576   8.250   1.120
  719    HA   ILE  94           HA       ILE  94   5.471   8.639   0.848
  720    HB   ILE  94           HB       ILE  94   3.686   6.299   0.071
  721   HG12  ILE  94          1HG1      ILE  94   5.649   6.537   2.365
  722   HG13  ILE  94          2HG1      ILE  94   3.959   6.909   2.581
  723   HG21  ILE  94          1HG2      ILE  94   5.695   6.309  -1.315
  724   HG22  ILE  94          2HG2      ILE  94   6.713   6.678   0.086
  725   HG23  ILE  94          3HG2      ILE  94   5.921   5.086  -0.066
  726   HD11  ILE  94          3HD1      ILE  94   4.347   4.670   3.353
  727   HD12  ILE  94          1HD1      ILE  94   3.356   4.585   1.889
  728   HD13  ILE  94          2HD1      ILE  94   5.090   4.189   1.820
  729    H    TYR  95           H        TYR  95   2.825   8.099  -1.559
  730    HA   TYR  95           HA       TYR  95   4.405   8.278  -3.848
  731    HB2  TYR  95           1HB      TYR  95   2.384   7.439  -4.281
  732    HB3  TYR  95           2HB      TYR  95   1.528   8.521  -3.193
  733    HD1  TYR  95           2HD      TYR  95   1.144  10.964  -3.911
  734    HD2  TYR  95           1HD      TYR  95   2.158   7.765  -6.616
  735    HE1  TYR  95           2HE      TYR  95   0.261  12.296  -5.818
  736    HE2  TYR  95           1HE      TYR  95   1.295   9.095  -8.525
  737    HH   TYR  95           HH       TYR  95   0.325  11.076  -9.195
  738    H    LYS  96           H        LYS  96   3.156  10.938  -1.942
  739    HA   LYS  96           HA       LYS  96   3.825  13.184  -3.542
  740    HB2  LYS  96           1HB      LYS  96   3.773  12.523  -0.585
  741    HB3  LYS  96           2HB      LYS  96   4.257  14.133  -1.094
  742    HG2  LYS  96           1HG      LYS  96   1.587  12.894  -1.896
  743    HG3  LYS  96           2HG      LYS  96   1.823  13.876  -0.445
  744    HD2  LYS  96           1HD      LYS  96   2.578  15.780  -1.854
  745    HD3  LYS  96           2HD      LYS  96   2.294  14.808  -3.315
  746    HE2  LYS  96           1HE      LYS  96  -0.097  14.560  -2.689
  747    HE3  LYS  96           2HE      LYS  96   0.180  15.521  -1.232
  748    HZ1  LYS  96           3HZ      LYS  96  -0.725  16.876  -3.022
  749    HZ2  LYS  96           1HZ      LYS  96   0.779  17.398  -2.659
  750    HZ3  LYS  96           2HZ      LYS  96   0.523  16.512  -4.010
  751    H    ARG  97           H        ARG  97   5.980  11.000  -1.855
  752    HA   ARG  97           HA       ARG  97   8.377  12.725  -2.357
  753    HB2  ARG  97           1HB      ARG  97   7.990  10.485  -0.395
  754    HB3  ARG  97           2HB      ARG  97   9.475  11.410  -0.691
  755    HG2  ARG  97           1HG      ARG  97   8.078  13.543  -0.196
  756    HG3  ARG  97           2HG      ARG  97   6.827  12.436   0.421
  757    HD2  ARG  97           1HD      ARG  97   8.647  11.388   1.808
  758    HD3  ARG  97           2HD      ARG  97   9.696  12.734   1.399
  759    HE   ARG  97           HE       ARG  97   7.506  12.714   3.334
  760   HH11  ARG  97          1HH2      ARG  97   9.268  14.937   1.200
  761   HH12  ARG  97          2HH2      ARG  97   8.959  16.299   2.234
  762   HH21  ARG  97          1HH1      ARG  97   7.236  14.476   4.651
  763   HH22  ARG  97          2HH1      ARG  97   7.809  16.045   4.146
  764    H    HIS  98           H        HIS  98   6.996   9.512  -2.807
  765    HA   HIS  98           HA       HIS  98   8.875   8.740  -4.982
  766    HB2  HIS  98           1HB      HIS  98   8.392   7.252  -2.360
  767    HB3  HIS  98           2HB      HIS  98   9.172   6.543  -3.763
  768    HD2  HIS  98           2HD      HIS  98   9.927   8.445  -0.661
  769    HE1  HIS  98           1HE      HIS  98  13.471   8.749  -2.998
  770    HE2  HIS  98           2HE      HIS  98  12.469   9.125  -0.686
  771    H    ARG  99           H        ARG  99   6.986   8.944  -6.367
  772    HA   ARG  99           HA       ARG  99   4.424   8.235  -5.959
  773    HB2  ARG  99           1HB      ARG  99   4.030   8.147  -8.251
  774    HB3  ARG  99           2HB      ARG  99   5.029   9.506  -7.742
  775    HG2  ARG  99           1HG      ARG  99   7.060   8.330  -8.628
  776    HG3  ARG  99           2HG      ARG  99   6.007   6.990  -9.182
  777    HD2  ARG  99           1HD      ARG  99   4.627   8.616 -10.401
  778    HD3  ARG  99           2HD      ARG  99   5.710   9.920  -9.894
  779    HE   ARG  99           HE       ARG  99   7.345   8.007 -11.144
  780   HH11  ARG  99          1HH1      ARG  99   4.691  10.090 -12.211
  781   HH12  ARG  99          2HH1      ARG  99   5.261  10.128 -13.853
  782   HH21  ARG  99          1HH2      ARG  99   8.025   8.099 -13.279
  783   HH22  ARG  99          2HH2      ARG  99   7.124   9.020 -14.444
  784    H    PHE 100           H        PHE 100   6.805   5.943  -7.275
  785    HA   PHE 100           HA       PHE 100   5.262   3.699  -6.067
  786    HB2  PHE 100           1HB      PHE 100   6.467   3.594  -8.848
  787    HB3  PHE 100           2HB      PHE 100   5.623   2.309  -7.989
  788    HD1  PHE 100           1HD      PHE 100   3.162   2.898  -7.169
  789    HD2  PHE 100           2HD      PHE 100   5.211   4.781 -10.461
  790    HE1  PHE 100           1HE      PHE 100   0.991   3.532  -8.152
  791    HE2  PHE 100           2HE      PHE 100   3.026   5.427 -11.444
  792    HZ   PHE 100           HZ       PHE 100   0.910   4.799 -10.293
  793    H    ASP 101           H        ASP 101   8.185   5.335  -6.348
  794    HA   ASP 101           HA       ASP 101  10.079   3.280  -6.653
  795    HB2  ASP 101           1HB      ASP 101  10.643   5.949  -5.347
  796    HB3  ASP 101           2HB      ASP 101  11.674   5.001  -6.401
  797    H    ALA 102           H        ALA 102   8.323   4.090  -3.839
  798    HA   ALA 102           HA       ALA 102  10.346   3.251  -1.886
  799    HB1  ALA 102           1HB      ALA 102   8.698   5.014  -1.367
  800    HB2  ALA 102           2HB      ALA 102   7.369   3.857  -1.616
  801    HB3  ALA 102           3HB      ALA 102   8.509   3.631  -0.277
  802    H    TRP 103           H        TRP 103   8.317   1.535  -3.997
  803    HA   TRP 103           HA       TRP 103   8.069  -0.813  -2.154
  804    HB2  TRP 103           1HB      TRP 103   6.337   0.178  -4.431
  805    HB3  TRP 103           2HB      TRP 103   6.127  -1.369  -3.621
  806    HD1  TRP 103           HD       TRP 103   5.483  -1.323  -1.009
  807    HE1  TRP 103           1HE      TRP 103   3.999   0.262   0.299
  808    HE3  TRP 103           3HE      TRP 103   5.811   2.742  -4.076
  809    HZ2  TRP 103           2HZ      TRP 103   2.880   2.942  -0.058
  810    HZ3  TRP 103           3HZ      TRP 103   4.515   4.793  -3.596
  811    HH2  TRP 103           HH       TRP 103   2.990   4.882  -1.631
  812    H    TYR 104           H        TYR 104   9.266  -2.428  -2.508
  813    HA   TYR 104           HA       TYR 104  10.883  -2.998  -4.791
  814    HB2  TYR 104           1HB      TYR 104  10.086  -5.162  -2.908
  815    HB3  TYR 104           2HB      TYR 104  11.660  -4.778  -3.593
  816    HD1  TYR 104           1HD      TYR 104  12.794  -2.582  -2.745
  817    HD2  TYR 104           2HD      TYR 104   9.370  -4.383  -0.869
  818    HE1  TYR 104           1HE      TYR 104  13.323  -1.347  -0.620
  819    HE2  TYR 104           2HE      TYR 104   9.879  -3.154   1.268
  820    HH   TYR 104           HH       TYR 104  11.296  -1.681   2.325
  821    H    GLY 105           H        GLY 105   7.703  -4.073  -3.715
  822    HA2  GLY 105           1HA      GLY 105   7.300  -6.229  -5.517
  823    HA3  GLY 105           2HA      GLY 105   6.063  -5.323  -4.611
  824    H    TRP 106           H        TRP 106   7.185  -2.795  -6.061
  825    HA   TRP 106           HA       TRP 106   5.740  -3.107  -8.639
  826    HB2  TRP 106           1HB      TRP 106   4.999  -1.297  -7.308
  827    HB3  TRP 106           2HB      TRP 106   6.630  -0.711  -7.023
  828    HD1  TRP 106           HD       TRP 106   3.813  -0.527  -9.555
  829    HE1  TRP 106           1HE      TRP 106   4.449   1.043 -11.481
  830    HE3  TRP 106           3HE      TRP 106   8.631   0.409  -8.207
  831    HZ2  TRP 106           2HZ      TRP 106   6.812   2.522 -12.328
  832    HZ3  TRP 106           3HZ      TRP 106  10.107   1.782  -9.605
  833    HH2  TRP 106           HH       TRP 106   9.206   2.889 -11.677
  834    H    LYS 107           H        LYS 107   8.972  -1.969  -7.440
  835    HA   LYS 107           HA       LYS 107   9.936  -1.496 -10.101
  836    HB2  LYS 107           1HB      LYS 107  12.115  -1.088  -9.082
  837    HB3  LYS 107           2HB      LYS 107  10.814  -0.265  -8.219
  838    HG2  LYS 107           1HG      LYS 107  10.801  -1.961  -6.534
  839    HG3  LYS 107           2HG      LYS 107  12.089  -2.868  -7.351
  840    HD2  LYS 107           1HD      LYS 107  13.098  -1.667  -5.543
  841    HD3  LYS 107           2HD      LYS 107  13.583  -0.851  -7.039
  842    HE2  LYS 107           1HE      LYS 107  11.808   0.859  -6.676
  843    HE3  LYS 107           2HE      LYS 107  11.275   0.012  -5.221
  844    HZ1  LYS 107           3HZ      LYS 107  12.704   1.853  -4.668
  845    HZ2  LYS 107           1HZ      LYS 107  13.470   0.469  -4.248
  846    HZ3  LYS 107           2HZ      LYS 107  13.933   1.283  -5.593
  847    H    ASN 108           H        ASN 108   9.773  -4.500  -8.397
  848    HA   ASN 108           HA       ASN 108  11.679  -5.794 -10.284
  849    HB2  ASN 108           1HB      ASN 108  10.278  -6.772  -7.774
  850    HB3  ASN 108           2HB      ASN 108  11.260  -7.800  -8.807
  851   HD21  ASN 108          2HD2      ASN 108  11.368  -5.454  -6.279
  852   HD22  ASN 108          1HD2      ASN 108  13.127  -5.382  -6.162
  853    H    HIS 109           H        HIS 109   8.324  -5.181 -10.293
  854    HA   HIS 109           HA       HIS 109   7.807  -7.567 -12.055
  855    HB2  HIS 109           1HB      HIS 109   6.073  -6.578  -9.764
  856    HB3  HIS 109           2HB      HIS 109   5.663  -7.862 -10.896
  857    HD2  HIS 109           2HD      HIS 109   7.592  -7.228  -7.707
  858    HE1  HIS 109           1HE      HIS 109   8.333 -11.296  -8.715
  859    HE2  HIS 109           2HE      HIS 109   8.589  -9.526  -6.900
  860    H    CYS 110           H        CYS 110   6.601  -4.296 -11.170
  861    HA   CYS 110           HA       CYS 110   4.580  -4.272 -13.251
  862    HB2  CYS 110           1HB      CYS 110   5.755  -2.067 -11.515
  863    HB3  CYS 110           2HB      CYS 110   4.346  -1.887 -12.536
  864    H    GLN 111           H        GLN 111   7.853  -4.073 -13.675
  865    HA   GLN 111           HA       GLN 111   7.955  -1.802 -15.529
  866    HB2  GLN 111           1HB      GLN 111  10.110  -3.880 -14.996
  867    HB3  GLN 111           2HB      GLN 111  10.306  -2.250 -15.634
  868    HG2  GLN 111           1HG      GLN 111   9.615  -3.066 -12.783
  869    HG3  GLN 111           2HG      GLN 111  11.073  -2.276 -13.349
  870   HE21  GLN 111          2HE2      GLN 111   8.241  -1.642 -11.671
  871   HE22  GLN 111          1HE2      GLN 111   8.170   0.078 -12.031
  872    H    GLY 112           H        GLY 112   7.422  -5.247 -15.834
  873    HA2  GLY 112           1HA      GLY 112   7.998  -5.278 -18.756
  874    HA3  GLY 112           2HA      GLY 112   7.571  -6.659 -17.719
  875    H    SER 113           H        SER 113   5.264  -6.044 -16.551
  876    HA   SER 113           HA       SER 113   3.238  -5.218 -18.547
  877    HB2  SER 113           1HB      SER 113   3.493  -8.055 -17.458
  878    HB3  SER 113           2HB      SER 113   2.074  -7.420 -18.299
  879    HG   SER 113           HG       SER 113   3.481  -8.599 -19.702
  880    H    LEU 114           H        LEU 114   1.182  -4.844 -17.641
  881    HA   LEU 114           HA       LEU 114   0.899  -5.089 -14.681
  882    HB2  LEU 114           1HB      LEU 114  -0.121  -2.998 -16.650
  883    HB3  LEU 114           2HB      LEU 114  -0.673  -3.110 -14.987
  884    HG   LEU 114           HG       LEU 114   2.242  -2.637 -15.757
  885   HD11  LEU 114          1HD1      LEU 114   0.748  -0.810 -16.500
  886   HD12  LEU 114          2HD1      LEU 114   0.136  -0.644 -14.834
  887   HD13  LEU 114          3HD1      LEU 114   1.843  -0.306 -15.203
  888   HD21  LEU 114          3HD2      LEU 114   2.347  -1.837 -13.353
  889   HD22  LEU 114          1HD2      LEU 114   0.733  -2.518 -13.105
  890   HD23  LEU 114          2HD2      LEU 114   2.095  -3.581 -13.520
  891    HA   PRO 115           HA       PRO 115  -2.826  -7.456 -15.496
  892    HB2  PRO 115           1HB      PRO 115  -4.324  -6.922 -13.284
  893    HB3  PRO 115           2HB      PRO 115  -2.839  -7.926 -13.217
  894    HG2  PRO 115           1HG      PRO 115  -3.135  -4.975 -12.568
  895    HG3  PRO 115           2HG      PRO 115  -2.322  -6.246 -11.596
  896    HD2  PRO 115           1HD      PRO 115  -0.943  -4.597 -13.272
  897    HD3  PRO 115           2HD      PRO 115  -0.475  -6.312 -13.067
  898    H    ASP 116           H        ASP 116  -4.916  -7.131 -16.312
  899    HA   ASP 116           HA       ASP 116  -5.686  -4.388 -17.020
  900    HB2  ASP 116           1HB      ASP 116  -5.865  -6.186 -18.670
  901    HB3  ASP 116           2HB      ASP 116  -6.978  -7.066 -17.617
  902    H    ILE 117           H        ILE 117  -7.574  -3.443 -16.529
  903    HA   ILE 117           HA       ILE 117  -9.177  -4.308 -14.152
  904    HB   ILE 117           HB       ILE 117  -9.088  -2.020 -13.270
  905   HG12  ILE 117          1HG1      ILE 117  -6.966  -1.439 -15.393
  906   HG13  ILE 117          2HG1      ILE 117  -8.641  -0.906 -15.504
  907   HG21  ILE 117          1HG2      ILE 117  -7.478  -3.756 -12.468
  908   HG22  ILE 117          2HG2      ILE 117  -6.264  -3.122 -13.598
  909   HG23  ILE 117          3HG2      ILE 117  -6.877  -2.107 -12.280
  910   HD11  ILE 117          3HD1      ILE 117  -7.309   0.891 -14.699
  911   HD12  ILE 117          1HD1      ILE 117  -8.390   0.348 -13.396
  912   HD13  ILE 117          2HD1      ILE 117  -6.662  -0.107 -13.380
  913    H    SER 118           H        SER 118  -9.280  -3.456 -17.343
  914    HA   SER 118           HA       SER 118 -11.301  -1.508 -17.536
  915    HB2  SER 118           1HB      SER 118 -10.771  -3.764 -19.504
  916    HB3  SER 118           2HB      SER 118 -11.545  -2.211 -19.843
  917    HG   SER 118           HG       SER 118  -8.828  -2.779 -19.252
  918    H    SER 119           H        SER 119 -11.784  -4.736 -16.467
  919    HA   SER 119           HA       SER 119 -14.668  -4.845 -17.108
  920    HB2  SER 119           1HB      SER 119 -14.470  -7.011 -15.857
  921    HB3  SER 119           2HB      SER 119 -13.446  -6.890 -17.298
  922    HG   SER 119           HG       SER 119 -12.311  -7.759 -15.475
  923    H    CYS 120           H        CYS 120 -12.752  -3.424 -14.680
  924    HA   CYS 120           HA       CYS 120 -14.575  -3.899 -12.424
  925    HB2  CYS 120           1HB      CYS 120 -12.067  -2.212 -12.612
  926    HB3  CYS 120           2HB      CYS 120 -12.875  -2.735 -11.139
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -9.246  -7.580  10.215
    2    H2   GLY   1           2H       GLY   1  -8.013  -8.663  10.357
    3    H3   GLY   1           3H       GLY   1  -7.744  -7.068  10.664
    4    HA2  GLY   1           1HA      GLY   1  -8.229  -6.495   8.389
    5    HA3  GLY   1           2HA      GLY   1  -6.836  -7.576   8.533
    6    H    LYS   2           H        LYS   2  -7.857  -7.511   6.159
    7    HA   LYS   2           HA       LYS   2  -9.228 -10.049   5.646
    8    HB2  LYS   2           1HB      LYS   2 -11.140  -9.069   4.541
    9    HB3  LYS   2           2HB      LYS   2 -11.075  -8.465   6.200
   10    HG2  LYS   2           1HG      LYS   2  -9.990  -6.357   5.340
   11    HG3  LYS   2           2HG      LYS   2 -10.199  -6.957   3.695
   12    HD2  LYS   2           1HD      LYS   2 -12.463  -6.355   5.650
   13    HD3  LYS   2           2HD      LYS   2 -11.874  -5.297   4.378
   14    HE2  LYS   2           1HE      LYS   2 -13.657  -6.182   3.288
   15    HE3  LYS   2           2HE      LYS   2 -12.390  -7.281   2.747
   16    HZ1  LYS   2           3HZ      LYS   2 -14.387  -8.466   3.460
   17    HZ2  LYS   2           1HZ      LYS   2 -13.170  -8.854   4.476
   18    HZ3  LYS   2           2HZ      LYS   2 -14.330  -7.800   4.947
   19    H    THR   3           H        THR   3  -9.523 -10.441   3.295
   20    HA   THR   3           HA       THR   3  -7.315  -9.230   1.697
   21    HB   THR   3           HB       THR   3  -8.452 -12.005   1.300
   22    HG1  THR   3           1HG      THR   3  -6.673 -12.692   2.495
   23   HG21  THR   3          3HG2      THR   3  -6.243 -12.327   0.162
   24   HG22  THR   3          1HG2      THR   3  -7.197 -11.061  -0.621
   25   HG23  THR   3          2HG2      THR   3  -5.857 -10.617   0.457
   26    H    PHE   4           H        PHE   4  -7.732  -8.337  -0.180
   27    HA   PHE   4           HA       PHE   4 -10.533  -8.180  -1.169
   28    HB2  PHE   4           1HB      PHE   4  -8.047  -6.499  -1.717
   29    HB3  PHE   4           2HB      PHE   4  -9.568  -6.238  -2.507
   30    HD1  PHE   4           1HD      PHE   4  -8.030  -6.274   0.954
   31    HD2  PHE   4           2HD      PHE   4 -11.266  -4.884  -1.557
   32    HE1  PHE   4           1HE      PHE   4  -8.933  -4.952   2.828
   33    HE2  PHE   4           2HE      PHE   4 -12.154  -3.567   0.330
   34    HZ   PHE   4           HZ       PHE   4 -11.006  -3.608   2.537
   35    H    THR   5           H        THR   5 -10.933  -8.199  -3.442
   36    HA   THR   5           HA       THR   5  -9.104  -9.867  -5.133
   37    HB   THR   5           HB       THR   5 -11.385 -10.787  -4.825
   38    HG1  THR   5           1HG      THR   5 -11.561 -11.182  -7.029
   39   HG21  THR   5          3HG2      THR   5 -13.290  -9.788  -5.948
   40   HG22  THR   5          1HG2      THR   5 -12.682  -8.618  -4.769
   41   HG23  THR   5          2HG2      THR   5 -12.323  -8.411  -6.502
   42    H    ARG   6           H        ARG   6  -9.081  -9.080  -7.493
   43    HA   ARG   6           HA       ARG   6  -7.890  -6.514  -7.425
   44    HB2  ARG   6           1HB      ARG   6  -7.385  -8.312  -9.057
   45    HB3  ARG   6           2HB      ARG   6  -8.896  -7.964  -9.905
   46    HG2  ARG   6           1HG      ARG   6  -8.139  -5.663 -10.383
   47    HG3  ARG   6           2HG      ARG   6  -6.675  -5.910  -9.419
   48    HD2  ARG   6           1HD      ARG   6  -7.408  -7.439 -11.947
   49    HD3  ARG   6           2HD      ARG   6  -6.284  -6.075 -11.864
   50    HE   ARG   6           HE       ARG   6  -5.092  -7.618 -10.070
   51   HH11  ARG   6          1HH1      ARG   6  -6.562  -8.885 -13.046
   52   HH12  ARG   6          2HH1      ARG   6  -5.441 -10.211 -13.117
   53   HH21  ARG   6          1HH2      ARG   6  -3.605  -9.168 -10.336
   54   HH22  ARG   6          2HH2      ARG   6  -3.786 -10.397 -11.573
   55    H    CYS   7           H        CYS   7 -11.110  -7.374  -8.803
   56    HA   CYS   7           HA       CYS   7 -11.873  -4.703  -9.488
   57    HB2  CYS   7           1HB      CYS   7 -12.978  -6.782 -10.285
   58    HB3  CYS   7           2HB      CYS   7 -13.638  -7.043  -8.670
   59    H    GLY   8           H        GLY   8 -12.204  -6.447  -6.406
   60    HA2  GLY   8           1HA      GLY   8 -13.702  -4.446  -4.987
   61    HA3  GLY   8           2HA      GLY   8 -12.662  -5.698  -4.263
   62    H    LEU   9           H        LEU   9 -10.139  -5.059  -5.160
   63    HA   LEU   9           HA       LEU   9  -9.396  -2.780  -3.634
   64    HB2  LEU   9           1HB      LEU   9  -7.985  -4.793  -4.067
   65    HB3  LEU   9           2HB      LEU   9  -7.850  -4.326  -5.766
   66    HG   LEU   9           HG       LEU   9  -6.758  -2.202  -5.074
   67   HD11  LEU   9          1HD1      LEU   9  -7.643  -1.848  -2.852
   68   HD12  LEU   9          2HD1      LEU   9  -6.983  -3.395  -2.288
   69   HD13  LEU   9          3HD1      LEU   9  -5.893  -2.041  -2.701
   70   HD21  LEU   9          3HD2      LEU   9  -4.609  -3.115  -4.567
   71   HD22  LEU   9          1HD2      LEU   9  -5.322  -4.593  -3.886
   72   HD23  LEU   9          2HD2      LEU   9  -5.432  -4.260  -5.633
   73    H    VAL  10           H        VAL  10  -9.598  -3.138  -7.225
   74    HA   VAL  10           HA       VAL  10  -8.836  -0.531  -7.971
   75    HB   VAL  10           HB       VAL  10 -10.970  -2.355  -9.152
   76   HG11  VAL  10          1HG1      VAL  10 -11.685  -0.188  -9.881
   77   HG12  VAL  10          2HG1      VAL  10 -10.029   0.342 -10.189
   78   HG13  VAL  10          3HG1      VAL  10 -10.786  -0.882 -11.228
   79   HG21  VAL  10          3HG2      VAL  10  -9.354  -2.741 -10.929
   80   HG22  VAL  10          1HG2      VAL  10  -8.219  -1.580 -10.208
   81   HG23  VAL  10          2HG2      VAL  10  -8.591  -3.099  -9.381
   82    H    HIS  11           H        HIS  11 -12.056  -1.645  -6.900
   83    HA   HIS  11           HA       HIS  11 -13.343   0.946  -7.019
   84    HB2  HIS  11           1HB      HIS  11 -14.036  -1.638  -5.573
   85    HB3  HIS  11           2HB      HIS  11 -15.059  -0.215  -5.573
   86    HD2  HIS  11           2HD      HIS  11 -13.676  -0.430  -9.014
   87    HE1  HIS  11           1HE      HIS  11 -17.333  -2.600  -9.164
   88    HE2  HIS  11           2HE      HIS  11 -15.524  -1.501 -10.565
   89    H    GLU  12           H        GLU  12 -11.810  -0.839  -4.324
   90    HA   GLU  12           HA       GLU  12 -12.539   0.973  -2.260
   91    HB2  GLU  12           1HB      GLU  12 -11.421  -1.472  -2.294
   92    HB3  GLU  12           2HB      GLU  12  -9.944  -0.553  -2.130
   93    HG2  GLU  12           1HG      GLU  12 -10.851  -1.332   0.014
   94    HG3  GLU  12           2HG      GLU  12 -10.793   0.439  -0.058
   95    H    LEU  13           H        LEU  13  -9.630   0.893  -4.332
   96    HA   LEU  13           HA       LEU  13  -8.418   3.246  -3.153
   97    HB2  LEU  13           1HB      LEU  13  -8.038   1.916  -5.845
   98    HB3  LEU  13           2HB      LEU  13  -6.928   3.087  -5.134
   99    HG   LEU  13           HG       LEU  13  -7.577   0.375  -3.936
  100   HD11  LEU  13          1HD1      LEU  13  -6.434   0.129  -6.051
  101   HD12  LEU  13          2HD1      LEU  13  -5.207   1.333  -5.566
  102   HD13  LEU  13          3HD1      LEU  13  -5.301  -0.238  -4.733
  103   HD21  LEU  13          3HD2      LEU  13  -5.662   0.704  -2.495
  104   HD22  LEU  13          1HD2      LEU  13  -5.381   2.322  -3.187
  105   HD23  LEU  13          2HD2      LEU  13  -6.840   1.993  -2.224
  106    H    ARG  14           H        ARG  14 -10.531   2.767  -5.983
  107    HA   ARG  14           HA       ARG  14 -10.578   5.482  -6.902
  108    HB2  ARG  14           1HB      ARG  14 -12.596   3.230  -7.046
  109    HB3  ARG  14           2HB      ARG  14 -12.980   4.836  -7.664
  110    HG2  ARG  14           1HG      ARG  14 -11.233   4.777  -9.292
  111    HG3  ARG  14           2HG      ARG  14 -10.532   3.306  -8.596
  112    HD2  ARG  14           1HD      ARG  14 -12.513   2.018  -9.147
  113    HD3  ARG  14           2HD      ARG  14 -13.339   3.472  -9.761
  114    HE   ARG  14           HE       ARG  14 -10.929   3.169 -11.199
  115   HH11  ARG  14          1HH1      ARG  14 -14.052   1.506 -10.901
  116   HH12  ARG  14          2HH1      ARG  14 -13.842   0.668 -12.425
  117   HH21  ARG  14          1HH2      ARG  14 -10.820   2.083 -13.231
  118   HH22  ARG  14          2HH2      ARG  14 -12.122   1.012 -13.682
  119    H    LYS  15           H        LYS  15 -12.616   3.894  -4.378
  120    HA   LYS  15           HA       LYS  15 -14.074   6.291  -3.641
  121    HB2  LYS  15           1HB      LYS  15 -13.412   3.724  -2.153
  122    HB3  LYS  15           2HB      LYS  15 -14.446   4.989  -1.490
  123    HG2  LYS  15           1HG      LYS  15 -16.048   4.745  -3.325
  124    HG3  LYS  15           2HG      LYS  15 -15.055   3.504  -4.085
  125    HD2  LYS  15           1HD      LYS  15 -16.368   3.301  -1.338
  126    HD3  LYS  15           2HD      LYS  15 -16.945   2.532  -2.827
  127    HE2  LYS  15           1HE      LYS  15 -14.821   1.239  -2.981
  128    HE3  LYS  15           2HE      LYS  15 -14.254   1.998  -1.488
  129    HZ1  LYS  15           3HZ      LYS  15 -15.134  -0.148  -1.016
  130    HZ2  LYS  15           1HZ      LYS  15 -16.109   0.964  -0.323
  131    HZ3  LYS  15           2HZ      LYS  15 -16.596   0.201  -1.693
  132    H    HIS  16           H        HIS  16 -10.982   4.921  -2.538
  133    HA   HIS  16           HA       HIS  16 -10.668   6.871  -0.427
  134    HB2  HIS  16           1HB      HIS  16  -8.883   4.664  -1.524
  135    HB3  HIS  16           2HB      HIS  16  -8.451   5.678  -0.153
  136    HD2  HIS  16           2HD      HIS  16  -8.456   3.019   0.851
  137    HE1  HIS  16           1HE      HIS  16 -12.549   3.219   1.944
  138    HE2  HIS  16           2HE      HIS  16 -10.392   1.994   2.354
  139    H    GLY  17           H        GLY  17 -10.161   7.350  -3.674
  140    HA2  GLY  17           1HA      GLY  17  -9.695   9.536  -4.439
  141    HA3  GLY  17           2HA      GLY  17  -8.623   9.826  -3.052
  142    H    PHE  18           H        PHE  18  -8.165   6.853  -4.879
  143    HA   PHE  18           HA       PHE  18  -5.518   7.747  -5.746
  144    HB2  PHE  18           1HB      PHE  18  -7.027   5.150  -6.020
  145    HB3  PHE  18           2HB      PHE  18  -5.462   5.437  -6.761
  146    HD1  PHE  18           2HD      PHE  18  -6.999   5.845  -3.312
  147    HD2  PHE  18           1HD      PHE  18  -3.609   4.653  -5.690
  148    HE1  PHE  18           2HE      PHE  18  -5.767   5.299  -1.272
  149    HE2  PHE  18           1HE      PHE  18  -2.386   4.020  -3.624
  150    HZ   PHE  18           HZ       PHE  18  -3.454   4.340  -1.410
  151    H    GLU  19           H        GLU  19  -4.737   7.408  -7.924
  152    HA   GLU  19           HA       GLU  19  -6.332   8.987  -9.762
  153    HB2  GLU  19           1HB      GLU  19  -3.587   7.769 -10.201
  154    HB3  GLU  19           2HB      GLU  19  -4.324   9.120 -11.034
  155    HG2  GLU  19           1HG      GLU  19  -2.670  10.007  -9.636
  156    HG3  GLU  19           2HG      GLU  19  -4.226  10.445  -8.926
  157    H    GLU  20           H        GLU  20  -7.534   8.226 -11.435
  158    HA   GLU  20           HA       GLU  20  -7.918   5.411 -11.790
  159    HB2  GLU  20           1HB      GLU  20  -9.457   5.997 -13.550
  160    HB3  GLU  20           2HB      GLU  20  -9.764   6.885 -12.069
  161    HG2  GLU  20           1HG      GLU  20  -8.124   8.183 -14.274
  162    HG3  GLU  20           2HG      GLU  20  -9.866   8.028 -14.425
  163    H    ASN  21           H        ASN  21  -5.698   7.610 -13.380
  164    HA   ASN  21           HA       ASN  21  -5.140   5.737 -15.574
  165    HB2  ASN  21           1HB      ASN  21  -3.654   7.363 -16.393
  166    HB3  ASN  21           2HB      ASN  21  -5.100   8.222 -15.885
  167   HD21  ASN  21          2HD2      ASN  21  -1.979   8.828 -16.091
  168   HD22  ASN  21          1HD2      ASN  21  -1.691   9.664 -14.577
  169    H    LEU  22           H        LEU  22  -4.077   6.095 -12.298
  170    HA   LEU  22           HA       LEU  22  -1.595   4.495 -12.824
  171    HB2  LEU  22           1HB      LEU  22  -2.482   5.906 -10.292
  172    HB3  LEU  22           2HB      LEU  22  -0.967   5.076 -10.544
  173    HG   LEU  22           HG       LEU  22  -1.851   7.673 -11.852
  174   HD11  LEU  22          1HD1      LEU  22  -1.095   7.749  -9.470
  175   HD12  LEU  22          2HD1      LEU  22   0.447   7.030  -9.949
  176   HD13  LEU  22          3HD1      LEU  22  -0.016   8.636 -10.562
  177   HD21  LEU  22          3HD2      LEU  22   0.425   7.761 -12.862
  178   HD22  LEU  22          1HD2      LEU  22   0.711   6.087 -12.342
  179   HD23  LEU  22          2HD2      LEU  22  -0.554   6.455 -13.534
  180    H    MET  23           H        MET  23  -4.827   4.051 -11.811
  181    HA   MET  23           HA       MET  23  -4.798   2.306  -9.743
  182    HB2  MET  23           1HB      MET  23  -6.738   3.244 -11.117
  183    HB3  MET  23           2HB      MET  23  -6.543   1.872 -12.186
  184    HG2  MET  23           1HG      MET  23  -8.331   1.506 -10.513
  185    HG3  MET  23           2HG      MET  23  -7.044   0.322 -10.331
  186    HE1  MET  23           3HE      MET  23  -7.987   3.883  -7.581
  187    HE2  MET  23           1HE      MET  23  -6.817   4.159  -8.894
  188    HE3  MET  23           2HE      MET  23  -8.478   3.654  -9.269
  189    H    ARG  24           H        ARG  24  -4.185   1.231 -13.126
  190    HA   ARG  24           HA       ARG  24  -3.776  -1.510 -12.665
  191    HB2  ARG  24           1HB      ARG  24  -2.293   0.317 -14.614
  192    HB3  ARG  24           2HB      ARG  24  -2.349  -1.450 -14.670
  193    HG2  ARG  24           1HG      ARG  24  -4.830  -1.334 -14.936
  194    HG3  ARG  24           2HG      ARG  24  -4.711   0.436 -15.001
  195    HD2  ARG  24           1HD      ARG  24  -4.834  -0.292 -17.253
  196    HD3  ARG  24           2HD      ARG  24  -3.146   0.181 -16.973
  197    HE   ARG  24           HE       ARG  24  -3.631  -2.641 -16.459
  198   HH11  ARG  24          1HH1      ARG  24  -3.072  -0.421 -19.164
  199   HH12  ARG  24          2HH1      ARG  24  -2.516  -1.696 -20.205
  200   HH21  ARG  24          1HH2      ARG  24  -2.889  -4.218 -17.836
  201   HH22  ARG  24          2HH2      ARG  24  -2.414  -3.821 -19.460
  202    H    ASN  25           H        ASN  25  -1.299   1.110 -12.463
  203    HA   ASN  25           HA       ASN  25   0.873  -0.621 -11.645
  204    HB2  ASN  25           1HB      ASN  25   0.413   2.383 -11.446
  205    HB3  ASN  25           2HB      ASN  25   1.824   1.595 -10.758
  206   HD21  ASN  25          2HD2      ASN  25   0.414   2.750 -13.740
  207   HD22  ASN  25          1HD2      ASN  25   1.752   2.243 -14.750
  208    H    TRP  26           H        TRP  26  -1.532   1.334  -9.794
  209    HA   TRP  26           HA       TRP  26  -0.446   0.770  -7.227
  210    HB2  TRP  26           1HB      TRP  26  -3.187   1.631  -8.196
  211    HB3  TRP  26           2HB      TRP  26  -2.863   1.317  -6.501
  212    HD1  TRP  26           HD       TRP  26  -2.976   4.134  -8.712
  213    HE1  TRP  26           1HE      TRP  26  -1.842   6.178  -7.671
  214    HE3  TRP  26           3HE      TRP  26  -0.301   1.747  -5.074
  215    HZ2  TRP  26           2HZ      TRP  26   0.140   6.682  -5.576
  216    HZ3  TRP  26           3HZ      TRP  26   1.138   3.019  -3.524
  217    HH2  TRP  26           HH       TRP  26   1.363   5.486  -3.753
  218    H    VAL  27           H        VAL  27  -3.189  -0.925  -8.906
  219    HA   VAL  27           HA       VAL  27  -3.373  -2.842  -6.766
  220    HB   VAL  27           HB       VAL  27  -4.812  -4.190  -8.031
  221   HG11  VAL  27          1HG1      VAL  27  -5.623  -1.950  -7.204
  222   HG12  VAL  27          2HG1      VAL  27  -5.475  -1.344  -8.864
  223   HG13  VAL  27          3HG1      VAL  27  -6.575  -2.679  -8.501
  224   HG21  VAL  27          3HG2      VAL  27  -5.343  -3.827 -10.427
  225   HG22  VAL  27          1HG2      VAL  27  -3.978  -2.696 -10.539
  226   HG23  VAL  27          2HG2      VAL  27  -3.697  -4.410 -10.156
  227    H    CYS  28           H        CYS  28  -1.406  -2.871  -9.748
  228    HA   CYS  28           HA       CYS  28  -0.484  -5.579  -9.444
  229    HB2  CYS  28           1HB      CYS  28  -0.550  -4.102 -11.479
  230    HB3  CYS  28           2HB      CYS  28   0.867  -3.261 -10.879
  231    H    LEU  29           H        LEU  29   0.810  -2.490  -8.251
  232    HA   LEU  29           HA       LEU  29   3.159  -3.478  -6.920
  233    HB2  LEU  29           1HB      LEU  29   2.759  -1.163  -7.483
  234    HB3  LEU  29           2HB      LEU  29   1.308  -1.080  -6.512
  235    HG   LEU  29           HG       LEU  29   4.099  -1.423  -5.349
  236   HD11  LEU  29          1HD1      LEU  29   3.798   0.715  -6.620
  237   HD12  LEU  29          2HD1      LEU  29   2.346   1.067  -5.667
  238   HD13  LEU  29          3HD1      LEU  29   3.935   1.001  -4.888
  239   HD21  LEU  29          3HD2      LEU  29   2.978  -0.480  -3.271
  240   HD22  LEU  29          1HD2      LEU  29   1.414  -0.714  -4.063
  241   HD23  LEU  29          2HD2      LEU  29   2.453  -2.105  -3.670
  242    H    VAL  30           H        VAL  30  -0.132  -2.775  -5.653
  243    HA   VAL  30           HA       VAL  30   0.356  -3.742  -3.042
  244    HB   VAL  30           HB       VAL  30  -2.191  -3.379  -4.635
  245   HG11  VAL  30          1HG1      VAL  30  -2.779  -5.103  -3.014
  246   HG12  VAL  30          2HG1      VAL  30  -1.983  -4.187  -1.712
  247   HG13  VAL  30          3HG1      VAL  30  -3.449  -3.561  -2.504
  248   HG21  VAL  30          3HG2      VAL  30  -2.483  -1.430  -3.159
  249   HG22  VAL  30          1HG2      VAL  30  -1.019  -1.867  -2.252
  250   HG23  VAL  30          2HG2      VAL  30  -0.898  -1.339  -3.936
  251    H    GLU  31           H        GLU  31  -0.977  -5.550  -5.862
  252    HA   GLU  31           HA       GLU  31  -1.452  -7.989  -4.467
  253    HB2  GLU  31           1HB      GLU  31  -0.835  -7.310  -7.376
  254    HB3  GLU  31           2HB      GLU  31  -1.080  -8.983  -6.853
  255    HG2  GLU  31           1HG      GLU  31  -3.289  -8.546  -6.071
  256    HG3  GLU  31           2HG      GLU  31  -3.138  -6.809  -6.320
  257    H    HIS  32           H        HIS  32   1.600  -6.881  -6.171
  258    HA   HIS  32           HA       HIS  32   3.001  -9.303  -5.515
  259    HB2  HIS  32           1HB      HIS  32   3.486  -7.607  -7.326
  260    HB3  HIS  32           2HB      HIS  32   4.179  -6.566  -6.082
  261    HD2  HIS  32           2HD      HIS  32   4.882  -9.391  -8.378
  262    HE1  HIS  32           1HE      HIS  32   8.256  -9.318  -5.778
  263    HE2  HIS  32           2HE      HIS  32   7.342 -10.266  -7.959
  264    H    GLU  33           H        GLU  33   2.545  -6.255  -3.758
  265    HA   GLU  33           HA       GLU  33   4.629  -6.789  -1.813
  266    HB2  GLU  33           1HB      GLU  33   2.454  -4.700  -2.050
  267    HB3  GLU  33           2HB      GLU  33   3.468  -4.785  -0.627
  268    HG2  GLU  33           1HG      GLU  33   4.561  -4.469  -3.447
  269    HG3  GLU  33           2HG      GLU  33   4.216  -3.139  -2.349
  270    H    SER  34           H        SER  34   1.004  -6.624  -1.301
  271    HA   SER  34           HA       SER  34   1.406  -8.376   1.108
  272    HB2  SER  34           1HB      SER  34  -0.575  -7.327   1.994
  273    HB3  SER  34           2HB      SER  34   0.559  -6.062   1.501
  274    HG   SER  34           HG       SER  34  -0.856  -5.374   0.117
  275    H    SER  35           H        SER  35   0.241  -8.644  -2.041
  276    HA   SER  35           HA       SER  35  -1.284  -9.882  -3.128
  277    HB2  SER  35           1HB      SER  35  -1.556 -11.617  -0.655
  278    HB3  SER  35           2HB      SER  35  -2.063 -12.005  -2.300
  279    HG   SER  35           HG       SER  35  -0.024 -12.953  -1.773
  280    H    ARG  36           H        ARG  36  -2.117  -7.535  -1.527
  281    HA   ARG  36           HA       ARG  36  -3.936  -6.340  -1.109
  282    HB2  ARG  36           1HB      ARG  36  -5.913  -8.385  -2.051
  283    HB3  ARG  36           2HB      ARG  36  -5.932  -6.621  -2.149
  284    HG2  ARG  36           1HG      ARG  36  -4.177  -6.820  -3.986
  285    HG3  ARG  36           2HG      ARG  36  -4.420  -8.570  -3.904
  286    HD2  ARG  36           1HD      ARG  36  -7.025  -7.836  -4.059
  287    HD3  ARG  36           2HD      ARG  36  -6.332  -6.429  -4.828
  288    HE   ARG  36           HE       ARG  36  -5.749  -7.689  -6.665
  289   HH11  ARG  36          1HH1      ARG  36  -6.780 -10.016  -4.168
  290   HH12  ARG  36          2HH1      ARG  36  -6.574 -11.354  -5.261
  291   HH21  ARG  36          1HH2      ARG  36  -5.533  -9.363  -7.929
  292   HH22  ARG  36          2HH2      ARG  36  -5.959 -10.997  -7.430
  293    H    ASP  37           H        ASP  37  -2.907  -7.996   0.922
  294    HA   ASP  37           HA       ASP  37  -5.330  -8.715   2.573
  295    HB2  ASP  37           1HB      ASP  37  -4.020 -10.694   2.046
  296    HB3  ASP  37           2HB      ASP  37  -2.551  -9.904   2.615
  297    H    THR  38           H        THR  38  -5.744  -7.249   4.108
  298    HA   THR  38           HA       THR  38  -3.764  -5.272   4.882
  299    HB   THR  38           HB       THR  38  -5.315  -4.464   6.555
  300    HG1  THR  38           1HG      THR  38  -7.231  -5.364   6.880
  301   HG21  THR  38          3HG2      THR  38  -7.203  -3.826   5.118
  302   HG22  THR  38          1HG2      THR  38  -5.649  -3.648   4.295
  303   HG23  THR  38          2HG2      THR  38  -6.717  -5.034   3.912
  304    H    SER  39           H        SER  39  -4.586  -8.455   6.173
  305    HA   SER  39           HA       SER  39  -3.541  -7.934   8.850
  306    HB2  SER  39           1HB      SER  39  -4.238 -10.510   7.393
  307    HB3  SER  39           2HB      SER  39  -3.785 -10.391   9.090
  308    HG   SER  39           HG       SER  39  -6.059 -10.440   8.797
  309    H    LYS  40           H        LYS  40  -1.910  -8.187   5.950
  310    HA   LYS  40           HA       LYS  40   0.120 -10.093   6.657
  311    HB2  LYS  40           1HB      LYS  40  -0.793  -9.359   4.332
  312    HB3  LYS  40           2HB      LYS  40   0.277  -7.985   4.476
  313    HG2  LYS  40           1HG      LYS  40   1.546  -9.549   3.239
  314    HG3  LYS  40           2HG      LYS  40   2.178  -9.753   4.863
  315    HD2  LYS  40           1HD      LYS  40   1.832 -11.967   4.056
  316    HD3  LYS  40           2HD      LYS  40   0.462 -11.676   5.132
  317    HE2  LYS  40           1HE      LYS  40  -0.602 -10.757   2.798
  318    HE3  LYS  40           2HE      LYS  40   0.575 -11.881   2.126
  319    HZ1  LYS  40           3HZ      LYS  40  -1.470 -13.034   2.460
  320    HZ2  LYS  40           1HZ      LYS  40  -0.482 -13.590   3.640
  321    HZ3  LYS  40           2HZ      LYS  40  -1.660 -12.481   3.981
  322    H    THR  41           H        THR  41   2.214  -9.853   7.211
  323    HA   THR  41           HA       THR  41   3.475  -7.248   7.723
  324    HB   THR  41           HB       THR  41   4.322  -8.106   9.954
  325    HG1  THR  41           1HG      THR  41   2.848  -9.641  10.962
  326   HG21  THR  41          3HG2      THR  41   2.488  -7.397  11.317
  327   HG22  THR  41          1HG2      THR  41   2.657  -6.333   9.939
  328   HG23  THR  41          2HG2      THR  41   1.345  -7.541   9.949
  329    H    ASN  42           H        ASN  42   5.784  -7.389   7.974
  330    HA   ASN  42           HA       ASN  42   7.076 -10.031   7.641
  331    HB2  ASN  42           1HB      ASN  42   6.731  -7.988   5.531
  332    HB3  ASN  42           2HB      ASN  42   8.379  -8.534   5.685
  333   HD21  ASN  42          2HD2      ASN  42   5.582  -9.036   3.988
  334   HD22  ASN  42          1HD2      ASN  42   5.799 -10.733   3.587
  335    H    THR  43           H        THR  43   8.910 -10.157   8.774
  336    HA   THR  43           HA       THR  43   9.910  -7.810  10.244
  337    HB   THR  43           HB       THR  43  10.927 -10.666  10.399
  338    HG1  THR  43           1HG      THR  43   9.321 -11.109  11.779
  339   HG21  THR  43          3HG2      THR  43  11.294 -10.029  12.794
  340   HG22  THR  43          1HG2      THR  43  12.244  -9.035  11.686
  341   HG23  THR  43          2HG2      THR  43  10.764  -8.374  12.419
  342    H    ASN  44           H        ASN  44  11.923  -6.942  10.144
  343    HA   ASN  44           HA       ASN  44  13.671  -7.694   7.835
  344    HB2  ASN  44           1HB      ASN  44  13.739  -5.181   9.524
  345    HB3  ASN  44           2HB      ASN  44  14.563  -5.452   7.992
  346   HD21  ASN  44          2HD2      ASN  44  12.271  -3.684   9.209
  347   HD22  ASN  44          1HD2      ASN  44  11.076  -3.620   7.918
  348    H    ARG  45           H        ARG  45  15.974  -7.651   8.143
  349    HA   ARG  45           HA       ARG  45  17.022  -9.080  10.350
  350    HB2  ARG  45           1HB      ARG  45  19.213  -8.532   9.443
  351    HB3  ARG  45           2HB      ARG  45  18.083  -9.043   8.184
  352    HG2  ARG  45           1HG      ARG  45  17.785  -6.643   7.520
  353    HG3  ARG  45           2HG      ARG  45  18.975  -6.180   8.751
  354    HD2  ARG  45           1HD      ARG  45  20.683  -7.596   7.610
  355    HD3  ARG  45           2HD      ARG  45  19.487  -8.039   6.394
  356    HE   ARG  45           HE       ARG  45  19.661  -5.961   5.392
  357   HH11  ARG  45          1HH1      ARG  45  21.503  -5.816   8.415
  358   HH12  ARG  45          2HH1      ARG  45  22.246  -4.303   7.988
  359   HH21  ARG  45          1HH2      ARG  45  20.655  -4.021   4.913
  360   HH22  ARG  45          2HH2      ARG  45  21.771  -3.305   6.035
  361    H    ASN  46           H        ASN  46  16.783  -5.655   9.864
  362    HA   ASN  46           HA       ASN  46  18.343  -4.685  12.039
  363    HB2  ASN  46           1HB      ASN  46  17.700  -3.367  10.084
  364    HB3  ASN  46           2HB      ASN  46  15.995  -3.515  10.493
  365   HD21  ASN  46          2HD2      ASN  46  15.090  -1.916  11.773
  366   HD22  ASN  46          1HD2      ASN  46  16.036  -0.709  12.632
  367    H    GLY  47           H        GLY  47  15.246  -6.259  12.197
  368    HA2  GLY  47           1HA      GLY  47  14.045  -6.800  14.146
  369    HA3  GLY  47           2HA      GLY  47  14.832  -5.477  15.040
  370    H    SER  48           H        SER  48  13.849  -4.178  12.137
  371    HA   SER  48           HA       SER  48  11.346  -2.989  13.137
  372    HB2  SER  48           1HB      SER  48  11.504  -1.915  10.792
  373    HB3  SER  48           2HB      SER  48  12.701  -1.451  12.009
  374    HG   SER  48           HG       SER  48  13.663  -1.925   9.941
  375    H    LYS  49           H        LYS  49   9.466  -2.975  11.528
  376    HA   LYS  49           HA       LYS  49   9.110  -5.508  10.061
  377    HB2  LYS  49           1HB      LYS  49   8.423  -5.674  12.620
  378    HB3  LYS  49           2HB      LYS  49   6.995  -4.797  12.087
  379    HG2  LYS  49           1HG      LYS  49   6.633  -6.687  10.395
  380    HG3  LYS  49           2HG      LYS  49   7.937  -7.542  11.243
  381    HD2  LYS  49           1HD      LYS  49   6.552  -7.073  13.414
  382    HD3  LYS  49           2HD      LYS  49   5.248  -6.629  12.315
  383    HE2  LYS  49           1HE      LYS  49   4.805  -8.866  12.851
  384    HE3  LYS  49           2HE      LYS  49   5.533  -8.953  11.241
  385    HZ1  LYS  49           3HZ      LYS  49   6.453 -10.604  12.769
  386    HZ2  LYS  49           1HZ      LYS  49   7.628  -9.582  12.285
  387    HZ3  LYS  49           2HZ      LYS  49   6.981  -9.440  13.787
  388    H    ASP  50           H        ASP  50   7.577  -5.495   8.581
  389    HA   ASP  50           HA       ASP  50   6.292  -2.929   7.862
  390    HB2  ASP  50           1HB      ASP  50   6.648  -3.338   5.761
  391    HB3  ASP  50           2HB      ASP  50   7.802  -4.540   6.309
  392    H    TYR  51           H        TYR  51   4.141  -2.725   7.451
  393    HA   TYR  51           HA       TYR  51   2.249  -4.860   8.340
  394    HB2  TYR  51           1HB      TYR  51   2.357  -1.948   9.226
  395    HB3  TYR  51           2HB      TYR  51   1.088  -3.084   9.648
  396    HD1  TYR  51           2HD      TYR  51   4.677  -2.227  10.128
  397    HD2  TYR  51           1HD      TYR  51   1.324  -4.528  11.532
  398    HE1  TYR  51           2HE      TYR  51   5.904  -2.740  12.208
  399    HE2  TYR  51           1HE      TYR  51   2.551  -5.058  13.630
  400    HH   TYR  51           HH       TYR  51   4.497  -4.752  14.835
  401    H    GLY  52           H        GLY  52   0.198  -4.809   7.465
  402    HA2  GLY  52           1HA      GLY  52  -1.692  -3.976   6.408
  403    HA3  GLY  52           2HA      GLY  52  -0.888  -2.412   6.235
  404    H    LEU  53           H        LEU  53  -2.355  -2.771   4.291
  405    HA   LEU  53           HA       LEU  53  -1.751  -4.648   2.319
  406    HB2  LEU  53           1HB      LEU  53  -3.751  -2.774   2.757
  407    HB3  LEU  53           2HB      LEU  53  -2.859  -1.951   1.494
  408    HG   LEU  53           HG       LEU  53  -3.007  -4.361   0.293
  409   HD11  LEU  53          1HD1      LEU  53  -4.065  -5.450   2.196
  410   HD12  LEU  53          2HD1      LEU  53  -5.408  -4.280   2.156
  411   HD13  LEU  53          3HD1      LEU  53  -5.203  -5.393   0.823
  412   HD21  LEU  53          3HD2      LEU  53  -5.048  -3.715  -0.796
  413   HD22  LEU  53          1HD2      LEU  53  -5.384  -2.497   0.472
  414   HD23  LEU  53          2HD2      LEU  53  -3.986  -2.293  -0.615
  415    H    PHE  54           H        PHE  54  -0.216  -1.542   2.727
  416    HA   PHE  54           HA       PHE  54   1.231  -1.860   0.140
  417    HB2  PHE  54           1HB      PHE  54   1.007   0.490   2.042
  418    HB3  PHE  54           2HB      PHE  54   1.913   0.493   0.543
  419    HD1  PHE  54           2HD      PHE  54  -1.513   0.286   1.966
  420    HD2  PHE  54           1HD      PHE  54   0.837   0.802  -1.605
  421    HE1  PHE  54           2HE      PHE  54  -3.546   0.952   0.744
  422    HE2  PHE  54           1HE      PHE  54  -1.206   1.503  -2.829
  423    HZ   PHE  54           HZ       PHE  54  -3.402   1.576  -1.664
  424    H    GLN  55           H        GLN  55   1.648  -3.194   3.035
  425    HA   GLN  55           HA       GLN  55   3.390  -3.933   4.301
  426    HB2  GLN  55           1HB      GLN  55   4.757  -3.723   1.586
  427    HB3  GLN  55           2HB      GLN  55   5.423  -4.580   2.967
  428    HG2  GLN  55           1HG      GLN  55   2.812  -5.218   1.517
  429    HG3  GLN  55           2HG      GLN  55   4.352  -6.039   1.298
  430   HE21  GLN  55          2HE2      GLN  55   1.629  -5.555   3.638
  431   HE22  GLN  55          1HE2      GLN  55   2.080  -6.940   4.586
  432    H    ILE  56           H        ILE  56   2.994  -1.600   5.143
  433    HA   ILE  56           HA       ILE  56   5.113   0.350   4.593
  434    HB   ILE  56           HB       ILE  56   2.819   0.608   6.590
  435   HG12  ILE  56          1HG1      ILE  56   2.911   1.122   3.570
  436   HG13  ILE  56          2HG1      ILE  56   1.798   0.031   4.418
  437   HG21  ILE  56          1HG2      ILE  56   4.665   2.215   6.744
  438   HG22  ILE  56          2HG2      ILE  56   4.400   2.680   5.045
  439   HG23  ILE  56          3HG2      ILE  56   3.155   2.978   6.285
  440   HD11  ILE  56          3HD1      ILE  56   0.511   1.911   3.798
  441   HD12  ILE  56          1HD1      ILE  56   0.818   2.123   5.535
  442   HD13  ILE  56          2HD1      ILE  56   1.756   3.042   4.329
  443    H    ASN  57           H        ASN  57   6.858   0.745   5.846
  444    HA   ASN  57           HA       ASN  57   7.326  -1.135   8.039
  445    HB2  ASN  57           1HB      ASN  57   8.830  -0.683   6.008
  446    HB3  ASN  57           2HB      ASN  57   9.270   0.819   6.836
  447   HD21  ASN  57          2HD2      ASN  57  11.326   0.492   7.665
  448   HD22  ASN  57          1HD2      ASN  57  11.814  -0.969   8.501
  449    H    ASP  58           H        ASP  58   7.638  -0.703  10.109
  450    HA   ASP  58           HA       ASP  58   6.673   1.669  11.266
  451    HB2  ASP  58           1HB      ASP  58   7.019   0.710  13.327
  452    HB3  ASP  58           2HB      ASP  58   6.736  -0.661  12.260
  453    H    ARG  59           H        ARG  59   9.802   1.159  10.076
  454    HA   ARG  59           HA       ARG  59  11.216   3.001  11.855
  455    HB2  ARG  59           1HB      ARG  59  12.098   0.882  10.718
  456    HB3  ARG  59           2HB      ARG  59  12.159   1.823   9.220
  457    HG2  ARG  59           1HG      ARG  59  13.780   3.376  10.242
  458    HG3  ARG  59           2HG      ARG  59  13.613   2.540  11.799
  459    HD2  ARG  59           1HD      ARG  59  14.412   0.427  10.661
  460    HD3  ARG  59           2HD      ARG  59  14.699   1.386   9.199
  461    HE   ARG  59           HE       ARG  59  15.974   2.368  11.659
  462   HH11  ARG  59          1HH1      ARG  59  16.484   0.367   8.780
  463   HH12  ARG  59          2HH1      ARG  59  18.214   0.420   8.942
  464   HH21  ARG  59          1HH2      ARG  59  18.213   2.412  11.787
  465   HH22  ARG  59          2HH2      ARG  59  19.173   1.552  10.624
  466    H    TYR  60           H        TYR  60   9.273   3.391   9.018
  467    HA   TYR  60           HA       TYR  60  10.605   6.005   8.335
  468    HB2  TYR  60           1HB      TYR  60   9.501   3.899   6.460
  469    HB3  TYR  60           2HB      TYR  60  10.259   5.401   5.980
  470    HD1  TYR  60           1HD      TYR  60  12.728   5.498   7.658
  471    HD2  TYR  60           2HD      TYR  60  10.838   2.155   5.692
  472    HE1  TYR  60           1HE      TYR  60  14.899   4.313   7.596
  473    HE2  TYR  60           2HE      TYR  60  13.015   0.952   5.652
  474    HH   TYR  60           HH       TYR  60  16.029   2.421   6.937
  475    H    TRP  61           H        TRP  61   7.445   4.296   8.303
  476    HA   TRP  61           HA       TRP  61   6.167   6.916   7.539
  477    HB2  TRP  61           1HB      TRP  61   5.493   4.195   6.471
  478    HB3  TRP  61           2HB      TRP  61   4.813   5.715   5.940
  479    HD1  TRP  61           HD       TRP  61   7.112   3.196   4.895
  480    HE1  TRP  61           1HE      TRP  61   8.726   4.005   3.070
  481    HE3  TRP  61           3HE      TRP  61   6.301   8.237   5.281
  482    HZ2  TRP  61           2HZ      TRP  61   9.460   6.509   1.841
  483    HZ3  TRP  61           3HZ      TRP  61   7.305   9.792   3.641
  484    HH2  TRP  61           HH       TRP  61   8.936   8.936   1.944
  485    H    CYS  62           H        CYS  62   5.447   3.661   8.968
  486    HA   CYS  62           HA       CYS  62   3.300   4.996  10.573
  487    HB2  CYS  62           1HB      CYS  62   2.609   2.633  11.091
  488    HB3  CYS  62           2HB      CYS  62   2.338   3.183   9.450
  489    H    SER  63           H        SER  63   3.088   4.265  12.820
  490    HA   SER  63           HA       SER  63   5.754   3.916  14.147
  491    HB2  SER  63           1HB      SER  63   4.231   6.073  14.337
  492    HB3  SER  63           2HB      SER  63   3.352   5.091  15.509
  493    HG   SER  63           HG       SER  63   4.997   6.130  16.631
  494    H    LYS  64           H        LYS  64   6.048   2.409  15.688
  495    HA   LYS  64           HA       LYS  64   4.076   0.234  15.812
  496    HB2  LYS  64           1HB      LYS  64   5.894  -1.046  16.784
  497    HB3  LYS  64           2HB      LYS  64   6.399  -0.274  15.296
  498    HG2  LYS  64           1HG      LYS  64   8.043   0.924  16.322
  499    HG3  LYS  64           2HG      LYS  64   6.998   1.430  17.634
  500    HD2  LYS  64           1HD      LYS  64   8.835   0.141  18.539
  501    HD3  LYS  64           2HD      LYS  64   7.302  -0.678  18.805
  502    HE2  LYS  64           1HE      LYS  64   8.840  -2.369  18.206
  503    HE3  LYS  64           2HE      LYS  64   7.791  -2.142  16.802
  504    HZ1  LYS  64           3HZ      LYS  64  10.163  -2.294  16.221
  505    HZ2  LYS  64           1HZ      LYS  64   9.536  -0.863  15.747
  506    HZ3  LYS  64           2HZ      LYS  64  10.494  -0.942  17.081
  507    H    GLY  65           H        GLY  65   4.598   2.859  17.824
  508    HA2  GLY  65           1HA      GLY  65   4.318   1.598  20.440
  509    HA3  GLY  65           2HA      GLY  65   4.214   3.332  20.077
  510    H    ALA  66           H        ALA  66   2.525   3.152  21.786
  511    HA   ALA  66           HA       ALA  66  -0.047   1.955  21.086
  512    HB1  ALA  66           1HB      ALA  66   0.766   2.106  23.413
  513    HB2  ALA  66           2HB      ALA  66   0.725   3.886  23.315
  514    HB3  ALA  66           3HB      ALA  66  -0.779   2.949  23.201
  515    H    SER  67           H        SER  67   1.440   4.792  20.037
  516    HA   SER  67           HA       SER  67  -1.121   6.031  19.162
  517    HB2  SER  67           1HB      SER  67   1.213   7.481  20.478
  518    HB3  SER  67           2HB      SER  67  -0.199   8.264  19.768
  519    HG   SER  67           HG       SER  67  -1.505   7.285  21.372
  520    HA   PRO  68           HA       PRO  68   1.204   6.566  15.330
  521    HB2  PRO  68           1HB      PRO  68  -0.102   8.644  14.152
  522    HB3  PRO  68           2HB      PRO  68  -0.867   7.035  14.374
  523    HG2  PRO  68           1HG      PRO  68  -1.150   9.481  16.146
  524    HG3  PRO  68           2HG      PRO  68  -2.454   8.467  15.443
  525    HD2  PRO  68           1HD      PRO  68  -1.548   8.067  17.968
  526    HD3  PRO  68           2HD      PRO  68  -1.997   6.686  16.925
  527    H    GLY  69           H        GLY  69   2.602   8.200  14.193
  528    HA2  GLY  69           1HA      GLY  69   3.357  10.712  15.070
  529    HA3  GLY  69           2HA      GLY  69   4.180   9.654  16.200
  530    H    LYS  70           H        LYS  70   3.716  10.307  12.769
  531    HA   LYS  70           HA       LYS  70   6.545  10.074  12.073
  532    HB2  LYS  70           1HB      LYS  70   4.433   8.172  10.948
  533    HB3  LYS  70           2HB      LYS  70   5.986   8.432  10.164
  534    HG2  LYS  70           1HG      LYS  70   5.574   7.201  12.878
  535    HG3  LYS  70           2HG      LYS  70   5.927   6.373  11.373
  536    HD2  LYS  70           1HD      LYS  70   8.111   7.332  11.203
  537    HD3  LYS  70           2HD      LYS  70   7.857   8.364  12.616
  538    HE2  LYS  70           1HE      LYS  70   7.758   5.313  12.719
  539    HE3  LYS  70           2HE      LYS  70   9.231   6.250  12.978
  540    HZ1  LYS  70           3HZ      LYS  70   8.234   5.790  15.092
  541    HZ2  LYS  70           1HZ      LYS  70   8.083   7.397  14.823
  542    HZ3  LYS  70           2HZ      LYS  70   6.790   6.415  14.666
  543    H    ASP  71           H        ASP  71   6.620  10.310   9.509
  544    HA   ASP  71           HA       ASP  71   5.486  12.846   8.807
  545    HB2  ASP  71           1HB      ASP  71   7.604  11.854   7.909
  546    HB3  ASP  71           2HB      ASP  71   6.638  10.717   6.964
  547    H    CYS  72           H        CYS  72   4.189   9.597   8.418
  548    HA   CYS  72           HA       CYS  72   1.864  10.644   6.854
  549    HB2  CYS  72           1HB      CYS  72   2.616   7.796   7.527
  550    HB3  CYS  72           2HB      CYS  72   1.321   8.326   6.467
  551    H    ASN  73           H        ASN  73   2.616  10.404  10.080
  552    HA   ASN  73           HA       ASN  73   1.462  10.300  12.010
  553    HB2  ASN  73           1HB      ASN  73   0.866  12.455  10.903
  554    HB3  ASN  73           2HB      ASN  73  -0.616  11.712  10.301
  555   HD21  ASN  73          2HD2      ASN  73  -1.904  13.273  11.496
  556   HD22  ASN  73          1HD2      ASN  73  -2.059  13.145  13.240
  557    H    VAL  74           H        VAL  74   1.360   7.833  11.301
  558    HA   VAL  74           HA       VAL  74  -1.332   6.844  11.980
  559    HB   VAL  74           HB       VAL  74  -1.244   7.095   9.504
  560   HG11  VAL  74          1HG1      VAL  74   1.154   6.607   9.113
  561   HG12  VAL  74          2HG1      VAL  74   0.883   4.914   9.584
  562   HG13  VAL  74          3HG1      VAL  74   0.099   5.566   8.142
  563   HG21  VAL  74          3HG2      VAL  74  -2.206   4.964   8.987
  564   HG22  VAL  74          1HG2      VAL  74  -1.429   4.198  10.383
  565   HG23  VAL  74          2HG2      VAL  74  -2.697   5.425  10.624
  566    H    LYS  75           H        LYS  75  -1.412   4.767  12.761
  567    HA   LYS  75           HA       LYS  75   1.100   3.789  13.999
  568    HB2  LYS  75           1HB      LYS  75  -1.029   4.623  15.199
  569    HB3  LYS  75           2HB      LYS  75  -1.764   3.094  14.723
  570    HG2  LYS  75           1HG      LYS  75   0.031   1.876  15.993
  571    HG3  LYS  75           2HG      LYS  75   0.790   3.433  16.362
  572    HD2  LYS  75           1HD      LYS  75  -0.431   2.937  18.289
  573    HD3  LYS  75           2HD      LYS  75  -1.420   4.129  17.450
  574    HE2  LYS  75           1HE      LYS  75  -2.701   2.070  16.494
  575    HE3  LYS  75           2HE      LYS  75  -1.825   1.127  17.713
  576    HZ1  LYS  75           3HZ      LYS  75  -3.933   1.816  18.604
  577    HZ2  LYS  75           1HZ      LYS  75  -2.785   2.680  19.398
  578    HZ3  LYS  75           2HZ      LYS  75  -3.684   3.379  18.223
  579    H    CYS  76           H        CYS  76   1.897   1.766  13.615
  580    HA   CYS  76           HA       CYS  76   1.385   0.239  11.333
  581    HB2  CYS  76           1HB      CYS  76   2.438  -0.715  14.032
  582    HB3  CYS  76           2HB      CYS  76   2.679  -1.507  12.483
  583    H    SER  77           H        SER  77  -0.104  -0.243  14.564
  584    HA   SER  77           HA       SER  77  -1.405  -2.733  13.889
  585    HB2  SER  77           1HB      SER  77  -0.820  -1.894  16.192
  586    HB3  SER  77           2HB      SER  77  -2.182  -0.765  16.065
  587    HG   SER  77           HG       SER  77  -2.733  -2.760  17.130
  588    H    ASP  78           H        ASP  78  -2.474   0.676  13.510
  589    HA   ASP  78           HA       ASP  78  -5.219  -0.042  12.837
  590    HB2  ASP  78           1HB      ASP  78  -3.592   2.520  12.706
  591    HB3  ASP  78           2HB      ASP  78  -5.216   2.403  12.050
  592    H    LEU  79           H        LEU  79  -2.273  -0.381  11.163
  593    HA   LEU  79           HA       LEU  79  -3.491  -0.138   8.482
  594    HB2  LEU  79           1HB      LEU  79  -0.838  -1.426   9.195
  595    HB3  LEU  79           2HB      LEU  79  -1.400  -0.861   7.629
  596    HG   LEU  79           HG       LEU  79  -0.575   0.864   9.989
  597   HD11  LEU  79          1HD1      LEU  79   1.272  -0.067   8.716
  598   HD12  LEU  79          2HD1      LEU  79   0.520   0.422   7.185
  599   HD13  LEU  79          3HD1      LEU  79   1.119   1.650   8.316
  600   HD21  LEU  79          3HD2      LEU  79  -0.952   2.798   8.420
  601   HD22  LEU  79          1HD2      LEU  79  -1.796   1.680   7.335
  602   HD23  LEU  79          2HD2      LEU  79  -2.450   2.021   8.950
  603    H    LEU  80           H        LEU  80  -3.472  -2.494  10.969
  604    HA   LEU  80           HA       LEU  80  -3.842  -4.777   9.128
  605    HB2  LEU  80           1HB      LEU  80  -3.727  -4.746  12.154
  606    HB3  LEU  80           2HB      LEU  80  -3.681  -6.161  11.109
  607    HG   LEU  80           HG       LEU  80  -1.531  -4.024  11.331
  608   HD11  LEU  80          1HD1      LEU  80  -1.682  -5.552  13.263
  609   HD12  LEU  80          2HD1      LEU  80  -1.625  -6.958  12.177
  610   HD13  LEU  80          3HD1      LEU  80  -0.217  -5.896  12.333
  611   HD21  LEU  80          3HD2      LEU  80  -0.150  -5.509   9.891
  612   HD22  LEU  80          1HD2      LEU  80  -1.580  -6.517   9.586
  613   HD23  LEU  80          2HD2      LEU  80  -1.531  -4.825   9.035
  614    H    THR  81           H        THR  81  -5.868  -2.478  10.010
  615    HA   THR  81           HA       THR  81  -8.133  -3.993  11.062
  616    HB   THR  81           HB       THR  81  -7.523  -1.686  11.739
  617    HG1  THR  81           1HG      THR  81  -9.682  -1.109  11.897
  618   HG21  THR  81          3HG2      THR  81  -7.978   0.208  10.447
  619   HG22  THR  81          1HG2      THR  81  -7.155  -0.856   9.306
  620   HG23  THR  81          2HG2      THR  81  -8.920  -0.700   9.234
  621    H    ASP  82           H        ASP  82 -10.300  -3.197   9.909
  622    HA   ASP  82           HA       ASP  82 -10.287  -4.861   7.455
  623    HB2  ASP  82           1HB      ASP  82 -12.609  -3.922   9.179
  624    HB3  ASP  82           2HB      ASP  82 -12.674  -5.149   7.913
  625    H    ASP  83           H        ASP  83  -9.789  -1.795   7.696
  626    HA   ASP  83           HA       ASP  83 -11.003  -1.218   5.061
  627    HB2  ASP  83           1HB      ASP  83 -12.357  -0.007   6.793
  628    HB3  ASP  83           2HB      ASP  83 -10.901   0.863   7.280
  629    H    ILE  84           H        ILE  84  -9.466  -0.701   3.691
  630    HA   ILE  84           HA       ILE  84  -6.698  -0.749   4.481
  631    HB   ILE  84           HB       ILE  84  -6.188  -0.695   2.165
  632   HG12  ILE  84          1HG1      ILE  84  -9.031   0.256   1.591
  633   HG13  ILE  84          2HG1      ILE  84  -7.587   1.269   1.570
  634   HG21  ILE  84          1HG2      ILE  84  -7.438  -2.736   3.040
  635   HG22  ILE  84          2HG2      ILE  84  -8.897  -2.095   2.291
  636   HG23  ILE  84          3HG2      ILE  84  -7.508  -2.535   1.290
  637   HD11  ILE  84          3HD1      ILE  84  -8.187   0.717  -0.670
  638   HD12  ILE  84          1HD1      ILE  84  -6.622  -0.028  -0.253
  639   HD13  ILE  84          2HD1      ILE  84  -8.107  -1.020  -0.330
  640    H    THR  85           H        THR  85  -8.874   1.887   4.382
  641    HA   THR  85           HA       THR  85  -7.435   3.925   3.167
  642    HB   THR  85           HB       THR  85  -9.798   3.978   3.846
  643    HG1  THR  85           1HG      THR  85  -9.690   6.245   4.354
  644   HG21  THR  85          3HG2      THR  85 -10.472   4.788   6.002
  645   HG22  THR  85          1HG2      THR  85  -9.479   3.347   6.265
  646   HG23  THR  85          2HG2      THR  85  -8.787   4.963   6.540
  647    H    LYS  86           H        LYS  86  -6.937   2.829   6.516
  648    HA   LYS  86           HA       LYS  86  -5.228   5.008   7.289
  649    HB2  LYS  86           1HB      LYS  86  -5.151   2.105   8.212
  650    HB3  LYS  86           2HB      LYS  86  -4.470   3.488   9.067
  651    HG2  LYS  86           1HG      LYS  86  -7.431   2.939   8.581
  652    HG3  LYS  86           2HG      LYS  86  -6.556   2.764  10.097
  653    HD2  LYS  86           1HD      LYS  86  -6.089   5.226  10.098
  654    HD3  LYS  86           2HD      LYS  86  -7.079   5.384   8.625
  655    HE2  LYS  86           1HE      LYS  86  -9.026   4.414   9.826
  656    HE3  LYS  86           2HE      LYS  86  -8.049   4.258  11.292
  657    HZ1  LYS  86           3HZ      LYS  86  -9.392   6.272  11.336
  658    HZ2  LYS  86           1HZ      LYS  86  -7.811   6.682  11.316
  659    HZ3  LYS  86           2HZ      LYS  86  -8.716   6.828   9.958
  660    H    ALA  87           H        ALA  87  -4.564   2.074   5.439
  661    HA   ALA  87           HA       ALA  87  -1.654   2.624   5.295
  662    HB1  ALA  87           1HB      ALA  87  -2.653   0.282   5.507
  663    HB2  ALA  87           2HB      ALA  87  -3.299   0.487   3.861
  664    HB3  ALA  87           3HB      ALA  87  -1.543   0.517   4.155
  665    H    ALA  88           H        ALA  88  -4.560   2.768   3.226
  666    HA   ALA  88           HA       ALA  88  -3.201   3.446   0.839
  667    HB1  ALA  88           1HB      ALA  88  -5.565   2.478   1.254
  668    HB2  ALA  88           2HB      ALA  88  -6.081   4.172   1.469
  669    HB3  ALA  88           3HB      ALA  88  -5.364   3.618  -0.058
  670    H    LYS  89           H        LYS  89  -4.676   5.657   3.284
  671    HA   LYS  89           HA       LYS  89  -3.999   8.090   1.858
  672    HB2  LYS  89           1HB      LYS  89  -4.450   7.493   4.807
  673    HB3  LYS  89           2HB      LYS  89  -4.283   9.117   4.145
  674    HG2  LYS  89           1HG      LYS  89  -6.486   7.162   3.361
  675    HG3  LYS  89           2HG      LYS  89  -6.638   8.430   4.578
  676    HD2  LYS  89           1HD      LYS  89  -6.131  10.138   2.816
  677    HD3  LYS  89           2HD      LYS  89  -6.125   8.857   1.594
  678    HE2  LYS  89           1HE      LYS  89  -8.469   9.528   3.436
  679    HE3  LYS  89           2HE      LYS  89  -8.301  10.107   1.775
  680    HZ1  LYS  89           3HZ      LYS  89  -9.701   8.134   1.911
  681    HZ2  LYS  89           1HZ      LYS  89  -8.369   7.832   1.004
  682    HZ3  LYS  89           2HZ      LYS  89  -8.484   7.244   2.546
  683    H    CYS  90           H        CYS  90  -2.203   6.050   4.118
  684    HA   CYS  90           HA       CYS  90   0.116   7.796   4.369
  685    HB2  CYS  90           1HB      CYS  90  -0.402   6.121   6.021
  686    HB3  CYS  90           2HB      CYS  90  -0.322   4.822   4.832
  687    H    ALA  91           H        ALA  91  -0.745   5.104   2.153
  688    HA   ALA  91           HA       ALA  91   1.620   5.122   0.607
  689    HB1  ALA  91           1HB      ALA  91  -0.159   3.386   0.582
  690    HB2  ALA  91           2HB      ALA  91  -1.222   4.506  -0.283
  691    HB3  ALA  91           3HB      ALA  91   0.276   3.950  -1.047
  692    H    LYS  92           H        LYS  92  -1.306   7.278   0.246
  693    HA   LYS  92           HA       LYS  92  -0.255   8.654  -2.028
  694    HB2  LYS  92           1HB      LYS  92  -1.898   9.991   0.132
  695    HB3  LYS  92           2HB      LYS  92  -1.774  10.411  -1.573
  696    HG2  LYS  92           1HG      LYS  92  -3.238   8.123  -0.288
  697    HG3  LYS  92           2HG      LYS  92  -3.906   9.433  -1.212
  698    HD2  LYS  92           1HD      LYS  92  -2.238   7.130  -2.311
  699    HD3  LYS  92           2HD      LYS  92  -3.985   7.306  -2.403
  700    HE2  LYS  92           1HE      LYS  92  -3.912   9.088  -3.933
  701    HE3  LYS  92           2HE      LYS  92  -2.201   9.429  -3.617
  702    HZ1  LYS  92           3HZ      LYS  92  -2.587   8.262  -5.718
  703    HZ2  LYS  92           1HZ      LYS  92  -1.635   7.372  -4.714
  704    HZ3  LYS  92           2HZ      LYS  92  -3.209   6.973  -4.926
  705    H    LYS  93           H        LYS  93   0.258   9.330   1.474
  706    HA   LYS  93           HA       LYS  93   1.994  11.578   0.975
  707    HB2  LYS  93           1HB      LYS  93   0.751  11.287   3.074
  708    HB3  LYS  93           2HB      LYS  93   1.687   9.841   3.449
  709    HG2  LYS  93           1HG      LYS  93   2.427  11.799   4.732
  710    HG3  LYS  93           2HG      LYS  93   3.719  11.142   3.737
  711    HD2  LYS  93           1HD      LYS  93   3.327  12.955   2.057
  712    HD3  LYS  93           2HD      LYS  93   2.080  13.648   3.105
  713    HE2  LYS  93           1HE      LYS  93   4.996  13.186   3.876
  714    HE3  LYS  93           2HE      LYS  93   4.406  14.703   3.192
  715    HZ1  LYS  93           3HZ      LYS  93   4.557  14.671   5.650
  716    HZ2  LYS  93           1HZ      LYS  93   3.031  15.030   5.125
  717    HZ3  LYS  93           2HZ      LYS  93   3.406  13.545   5.734
  718    H    ILE  94           H        ILE  94   2.657   8.124   0.997
  719    HA   ILE  94           HA       ILE  94   5.572   8.510   0.837
  720    HB   ILE  94           HB       ILE  94   3.835   6.140   0.052
  721   HG12  ILE  94          1HG1      ILE  94   5.708   6.452   2.415
  722   HG13  ILE  94          2HG1      ILE  94   4.004   6.809   2.554
  723   HG21  ILE  94          1HG2      ILE  94   5.893   6.140  -1.257
  724   HG22  ILE  94          2HG2      ILE  94   6.856   6.571   0.162
  725   HG23  ILE  94          3HG2      ILE  94   6.102   4.958   0.034
  726   HD11  ILE  94          3HD1      ILE  94   4.384   4.588   3.390
  727   HD12  ILE  94          1HD1      ILE  94   3.453   4.465   1.888
  728   HD13  ILE  94          2HD1      ILE  94   5.193   4.087   1.897
  729    H    TYR  95           H        TYR  95   2.983   7.994  -1.627
  730    HA   TYR  95           HA       TYR  95   4.618   8.172  -3.899
  731    HB2  TYR  95           1HB      TYR  95   2.591   7.376  -4.368
  732    HB3  TYR  95           2HB      TYR  95   1.731   8.453  -3.279
  733    HD1  TYR  95           2HD      TYR  95   1.424  10.928  -3.985
  734    HD2  TYR  95           1HD      TYR  95   2.387   7.711  -6.689
  735    HE1  TYR  95           2HE      TYR  95   0.590  12.283  -5.896
  736    HE2  TYR  95           1HE      TYR  95   1.572   9.065  -8.600
  737    HH   TYR  95           HH       TYR  95   0.660  11.071  -9.276
  738    H    LYS  96           H        LYS  96   3.371  10.807  -1.946
  739    HA   LYS  96           HA       LYS  96   4.169  13.059  -3.498
  740    HB2  LYS  96           1HB      LYS  96   3.938  12.398  -0.554
  741    HB3  LYS  96           2HB      LYS  96   4.480  13.992  -1.030
  742    HG2  LYS  96           1HG      LYS  96   1.810  12.759  -1.852
  743    HG3  LYS  96           2HG      LYS  96   2.035  13.871  -0.509
  744    HD2  LYS  96           1HD      LYS  96   2.479  14.509  -3.461
  745    HD3  LYS  96           2HD      LYS  96   1.103  14.988  -2.469
  746    HE2  LYS  96           1HE      LYS  96   2.635  16.281  -0.973
  747    HE3  LYS  96           2HE      LYS  96   3.996  15.859  -2.022
  748    HZ1  LYS  96           3HZ      LYS  96   3.100  18.037  -2.574
  749    HZ2  LYS  96           1HZ      LYS  96   2.873  17.028  -3.838
  750    HZ3  LYS  96           2HZ      LYS  96   1.617  17.421  -2.865
  751    H    ARG  97           H        ARG  97   6.179  10.826  -1.661
  752    HA   ARG  97           HA       ARG  97   8.611  12.520  -2.012
  753    HB2  ARG  97           1HB      ARG  97   8.357   9.862  -0.560
  754    HB3  ARG  97           2HB      ARG  97   9.694  11.000  -0.497
  755    HG2  ARG  97           1HG      ARG  97   6.914  11.373   0.693
  756    HG3  ARG  97           2HG      ARG  97   8.412  11.055   1.554
  757    HD2  ARG  97           1HD      ARG  97   9.304  13.254   0.721
  758    HD3  ARG  97           2HD      ARG  97   7.682  13.597   0.078
  759    HE   ARG  97           HE       ARG  97   7.535  12.790   2.843
  760   HH11  ARG  97          1HH1      ARG  97   8.471  15.633   0.945
  761   HH12  ARG  97          2HH1      ARG  97   8.192  16.710   2.281
  762   HH21  ARG  97          1HH2      ARG  97   7.231  14.182   4.490
  763   HH22  ARG  97          2HH2      ARG  97   7.500  15.897   4.283
  764    H    HIS  98           H        HIS  98   7.298   9.297  -2.748
  765    HA   HIS  98           HA       HIS  98   8.984   8.959  -5.167
  766    HB2  HIS  98           1HB      HIS  98   8.911   6.999  -2.835
  767    HB3  HIS  98           2HB      HIS  98   9.703   6.723  -4.381
  768    HD2  HIS  98           2HD      HIS  98  10.277   8.097  -0.957
  769    HE1  HIS  98           1HE      HIS  98  13.708   9.260  -3.196
  770    HE2  HIS  98           2HE      HIS  98  12.714   9.094  -0.856
  771    H    ARG  99           H        ARG  99   7.162   8.911  -6.501
  772    HA   ARG  99           HA       ARG  99   4.654   8.127  -6.031
  773    HB2  ARG  99           1HB      ARG  99   4.218   7.978  -8.312
  774    HB3  ARG  99           2HB      ARG  99   5.200   9.371  -7.848
  775    HG2  ARG  99           1HG      ARG  99   7.232   8.211  -8.766
  776    HG3  ARG  99           2HG      ARG  99   6.188   6.846  -9.268
  777    HD2  ARG  99           1HD      ARG  99   4.746   8.427 -10.481
  778    HD3  ARG  99           2HD      ARG  99   5.822   9.757 -10.025
  779    HE   ARG  99           HE       ARG  99   7.428   7.813 -11.301
  780   HH11  ARG  99          1HH1      ARG  99   4.791   9.957 -12.287
  781   HH12  ARG  99          2HH1      ARG  99   5.325  10.003 -13.940
  782   HH21  ARG  99          1HH2      ARG  99   8.063   7.918 -13.449
  783   HH22  ARG  99          2HH2      ARG  99   7.153   8.867 -14.584
  784    H    PHE 100           H        PHE 100   7.084   5.837  -7.262
  785    HA   PHE 100           HA       PHE 100   5.483   3.582  -6.166
  786    HB2  PHE 100           1HB      PHE 100   6.724   3.543  -8.933
  787    HB3  PHE 100           2HB      PHE 100   5.864   2.243  -8.116
  788    HD1  PHE 100           1HD      PHE 100   3.390   2.955  -7.243
  789    HD2  PHE 100           2HD      PHE 100   5.497   4.622 -10.618
  790    HE1  PHE 100           1HE      PHE 100   1.236   3.610  -8.262
  791    HE2  PHE 100           2HE      PHE 100   3.332   5.278 -11.638
  792    HZ   PHE 100           HZ       PHE 100   1.204   4.764 -10.466
  793    H    ASP 101           H        ASP 101   8.602   5.032  -6.722
  794    HA   ASP 101           HA       ASP 101  10.189   2.679  -6.725
  795    HB2  ASP 101           1HB      ASP 101  10.798   4.906  -7.659
  796    HB3  ASP 101           2HB      ASP 101  10.984   5.525  -6.018
  797    H    ALA 102           H        ALA 102   8.654   4.171  -4.050
  798    HA   ALA 102           HA       ALA 102  10.436   3.220  -1.949
  799    HB1  ALA 102           1HB      ALA 102   8.903   5.095  -1.570
  800    HB2  ALA 102           2HB      ALA 102   7.501   4.057  -1.932
  801    HB3  ALA 102           3HB      ALA 102   8.492   3.756  -0.492
  802    H    TRP 103           H        TRP 103   8.339   1.580  -4.085
  803    HA   TRP 103           HA       TRP 103   8.152  -0.838  -2.301
  804    HB2  TRP 103           1HB      TRP 103   6.314   0.166  -4.506
  805    HB3  TRP 103           2HB      TRP 103   6.172  -1.388  -3.702
  806    HD1  TRP 103           HD       TRP 103   5.472  -1.390  -1.113
  807    HE1  TRP 103           1HE      TRP 103   4.006   0.188   0.235
  808    HE3  TRP 103           3HE      TRP 103   5.806   2.728  -4.114
  809    HZ2  TRP 103           2HZ      TRP 103   2.886   2.873  -0.086
  810    HZ3  TRP 103           3HZ      TRP 103   4.512   4.776  -3.599
  811    HH2  TRP 103           HH       TRP 103   3.005   4.839  -1.628
  812    H    TYR 104           H        TYR 104   9.627  -2.127  -2.714
  813    HA   TYR 104           HA       TYR 104  11.000  -2.699  -5.128
  814    HB2  TYR 104           1HB      TYR 104  11.771  -3.393  -2.944
  815    HB3  TYR 104           2HB      TYR 104  10.300  -4.310  -2.648
  816    HD1  TYR 104           1HD      TYR 104  13.404  -4.183  -4.669
  817    HD2  TYR 104           2HD      TYR 104   9.955  -6.473  -3.540
  818    HE1  TYR 104           1HE      TYR 104  14.427  -6.205  -5.731
  819    HE2  TYR 104           2HE      TYR 104  10.956  -8.524  -4.603
  820    HH   TYR 104           HH       TYR 104  14.182  -8.444  -6.190
  821    H    GLY 105           H        GLY 105   7.880  -3.939  -3.867
  822    HA2  GLY 105           1HA      GLY 105   7.524  -5.976  -5.872
  823    HA3  GLY 105           2HA      GLY 105   6.269  -5.315  -4.796
  824    H    TRP 106           H        TRP 106   7.301  -2.585  -6.276
  825    HA   TRP 106           HA       TRP 106   5.479  -2.870  -8.604
  826    HB2  TRP 106           1HB      TRP 106   5.226  -0.847  -7.371
  827    HB3  TRP 106           2HB      TRP 106   6.945  -0.502  -7.419
  828    HD1  TRP 106           HD       TRP 106   3.845  -0.470  -9.686
  829    HE1  TRP 106           1HE      TRP 106   4.326   0.935 -11.779
  830    HE3  TRP 106           3HE      TRP 106   8.747   0.607  -8.783
  831    HZ2  TRP 106           2HZ      TRP 106   6.598   2.348 -12.921
  832    HZ3  TRP 106           3HZ      TRP 106  10.069   1.946 -10.376
  833    HH2  TRP 106           HH       TRP 106   9.005   2.836 -12.459
  834    H    LYS 107           H        LYS 107   8.849  -1.744  -8.064
  835    HA   LYS 107           HA       LYS 107   9.618  -2.048 -10.797
  836    HB2  LYS 107           1HB      LYS 107  11.898  -1.553  -9.985
  837    HB3  LYS 107           2HB      LYS 107  10.682  -0.409  -9.451
  838    HG2  LYS 107           1HG      LYS 107  10.587  -1.668  -7.240
  839    HG3  LYS 107           2HG      LYS 107  12.009  -2.573  -7.777
  840    HD2  LYS 107           1HD      LYS 107  11.753   0.437  -7.356
  841    HD3  LYS 107           2HD      LYS 107  12.599  -0.698  -6.300
  842    HE2  LYS 107           1HE      LYS 107  14.222  -1.195  -8.121
  843    HE3  LYS 107           2HE      LYS 107  13.364  -0.072  -9.189
  844    HZ1  LYS 107           3HZ      LYS 107  15.241   1.033  -8.179
  845    HZ2  LYS 107           1HZ      LYS 107  13.864   1.711  -7.598
  846    HZ3  LYS 107           2HZ      LYS 107  14.728   0.678  -6.666
  847    H    ASN 108           H        ASN 108   9.312  -4.559  -8.513
  848    HA   ASN 108           HA       ASN 108  11.184  -6.398  -9.713
  849    HB2  ASN 108           1HB      ASN 108  10.230  -6.681  -7.459
  850    HB3  ASN 108           2HB      ASN 108   8.621  -6.906  -8.149
  851   HD21  ASN 108          2HD2      ASN 108  11.683  -8.459  -7.395
  852   HD22  ASN 108          1HD2      ASN 108  11.239 -10.030  -8.027
  853    H    HIS 109           H        HIS 109   7.866  -5.410 -10.639
  854    HA   HIS 109           HA       HIS 109   8.020  -7.160 -13.027
  855    HB2  HIS 109           1HB      HIS 109   6.392  -8.664 -12.441
  856    HB3  HIS 109           2HB      HIS 109   7.220  -8.459 -10.903
  857    HD2  HIS 109           2HD      HIS 109   5.802  -5.902  -9.732
  858    HE1  HIS 109           1HE      HIS 109   2.205  -8.120 -10.180
  859    HE2  HIS 109           2HE      HIS 109   3.282  -6.131  -9.023
  860    H    CYS 110           H        CYS 110   6.527  -4.313 -11.657
  861    HA   CYS 110           HA       CYS 110   4.159  -4.302 -13.315
  862    HB2  CYS 110           1HB      CYS 110   5.610  -2.128 -11.761
  863    HB3  CYS 110           2HB      CYS 110   4.082  -1.876 -12.586
  864    H    GLN 111           H        GLN 111   7.383  -2.940 -13.769
  865    HA   GLN 111           HA       GLN 111   6.788  -1.680 -16.314
  866    HB2  GLN 111           1HB      GLN 111   9.085  -1.166 -16.431
  867    HB3  GLN 111           2HB      GLN 111   8.598  -0.946 -14.758
  868    HG2  GLN 111           1HG      GLN 111  10.193  -3.268 -15.929
  869    HG3  GLN 111           2HG      GLN 111  10.799  -2.000 -14.871
  870   HE21  GLN 111          2HE2      GLN 111  10.328  -5.156 -14.700
  871   HE22  GLN 111          1HE2      GLN 111   9.736  -5.259 -13.039
  872    H    GLY 112           H        GLY 112   7.127  -4.961 -15.479
  873    HA2  GLY 112           1HA      GLY 112   7.993  -5.878 -18.162
  874    HA3  GLY 112           2HA      GLY 112   7.519  -6.879 -16.763
  875    H    SER 113           H        SER 113   5.052  -5.997 -16.079
  876    HA   SER 113           HA       SER 113   3.278  -5.459 -18.299
  877    HB2  SER 113           1HB      SER 113   3.804  -7.917 -18.649
  878    HB3  SER 113           2HB      SER 113   3.047  -8.231 -17.077
  879    HG   SER 113           HG       SER 113   1.589  -8.471 -18.878
  880    H    LEU 114           H        LEU 114   1.164  -4.950 -17.633
  881    HA   LEU 114           HA       LEU 114   0.602  -4.944 -14.705
  882    HB2  LEU 114           1HB      LEU 114  -0.224  -3.027 -16.927
  883    HB3  LEU 114           2HB      LEU 114  -0.862  -2.973 -15.290
  884    HG   LEU 114           HG       LEU 114   2.080  -2.597 -15.998
  885   HD11  LEU 114          1HD1      LEU 114   0.622  -0.815 -16.879
  886   HD12  LEU 114          2HD1      LEU 114  -0.024  -0.539 -15.238
  887   HD13  LEU 114          3HD1      LEU 114   1.692  -0.232 -15.589
  888   HD21  LEU 114          3HD2      LEU 114   2.169  -1.653 -13.652
  889   HD22  LEU 114          1HD2      LEU 114   0.535  -2.284 -13.382
  890   HD23  LEU 114          2HD2      LEU 114   1.885  -3.395 -13.710
  891    HA   PRO 115           HA       PRO 115  -3.032  -7.364 -15.675
  892    HB2  PRO 115           1HB      PRO 115  -4.650  -6.833 -13.569
  893    HB3  PRO 115           2HB      PRO 115  -3.118  -7.748 -13.383
  894    HG2  PRO 115           1HG      PRO 115  -3.595  -4.789 -12.883
  895    HG3  PRO 115           2HG      PRO 115  -2.791  -5.981 -11.806
  896    HD2  PRO 115           1HD      PRO 115  -1.377  -4.350 -13.477
  897    HD3  PRO 115           2HD      PRO 115  -0.865  -6.039 -13.152
  898    H    ASP 116           H        ASP 116  -5.220  -7.156 -16.379
  899    HA   ASP 116           HA       ASP 116  -6.053  -4.506 -17.343
  900    HB2  ASP 116           1HB      ASP 116  -6.334  -6.425 -18.799
  901    HB3  ASP 116           2HB      ASP 116  -7.271  -7.275 -17.567
  902    H    ILE 117           H        ILE 117  -7.641  -3.322 -16.590
  903    HA   ILE 117           HA       ILE 117  -9.287  -4.158 -14.225
  904    HB   ILE 117           HB       ILE 117  -9.066  -1.904 -13.315
  905   HG12  ILE 117          1HG1      ILE 117  -6.993  -1.350 -15.490
  906   HG13  ILE 117          2HG1      ILE 117  -8.654  -0.775 -15.558
  907   HG21  ILE 117          1HG2      ILE 117  -7.488  -3.706 -12.603
  908   HG22  ILE 117          2HG2      ILE 117  -6.295  -3.097 -13.769
  909   HG23  ILE 117          3HG2      ILE 117  -6.822  -2.083 -12.413
  910   HD11  ILE 117          3HD1      ILE 117  -7.264   0.980 -14.757
  911   HD12  ILE 117          1HD1      ILE 117  -8.357   0.451 -13.457
  912   HD13  ILE 117          2HD1      ILE 117  -6.639  -0.040 -13.440
  913    H    SER 118           H        SER 118  -9.449  -3.264 -17.415
  914    HA   SER 118           HA       SER 118 -11.403  -1.182 -17.376
  915    HB2  SER 118           1HB      SER 118 -11.692  -1.627 -19.749
  916    HB3  SER 118           2HB      SER 118  -9.985  -1.582 -19.301
  917    HG   SER 118           HG       SER 118  -9.896  -3.829 -19.424
  918    H    SER 119           H        SER 119 -11.927  -4.545 -16.768
  919    HA   SER 119           HA       SER 119 -14.826  -4.457 -17.236
  920    HB2  SER 119           1HB      SER 119 -13.057  -6.473 -15.802
  921    HB3  SER 119           2HB      SER 119 -14.770  -6.683 -16.186
  922    HG   SER 119           HG       SER 119 -13.398  -7.684 -17.752
  923    H    CYS 120           H        CYS 120 -12.864  -3.133 -14.786
  924    HA   CYS 120           HA       CYS 120 -14.712  -3.689 -12.548
  925    HB2  CYS 120           1HB      CYS 120 -12.094  -2.169 -12.604
  926    HB3  CYS 120           2HB      CYS 120 -12.956  -2.739 -11.180
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  -8.344  -8.716  10.704
    2    H2   GLY   1           2H       GLY   1  -6.980  -9.240   9.948
    3    H3   GLY   1           3H       GLY   1  -6.950  -7.850  10.816
    4    HA2  GLY   1           1HA      GLY   1  -8.383  -6.738   9.288
    5    HA3  GLY   1           2HA      GLY   1  -6.968  -7.412   8.460
    6    H    LYS   2           H        LYS   2  -7.790  -7.742   6.490
    7    HA   LYS   2           HA       LYS   2  -9.724  -9.865   5.933
    8    HB2  LYS   2           1HB      LYS   2 -11.337  -8.459   4.828
    9    HB3  LYS   2           2HB      LYS   2 -11.148  -7.882   6.480
   10    HG2  LYS   2           1HG      LYS   2  -9.664  -6.054   5.702
   11    HG3  LYS   2           2HG      LYS   2  -9.813  -6.618   4.036
   12    HD2  LYS   2           1HD      LYS   2 -12.138  -5.672   5.753
   13    HD3  LYS   2           2HD      LYS   2 -11.252  -4.673   4.591
   14    HE2  LYS   2           1HE      LYS   2 -11.911  -6.194   2.748
   15    HE3  LYS   2           2HE      LYS   2 -12.809  -7.202   3.893
   16    HZ1  LYS   2           3HZ      LYS   2 -14.267  -5.630   2.765
   17    HZ2  LYS   2           1HZ      LYS   2 -14.237  -5.298   4.366
   18    HZ3  LYS   2           2HZ      LYS   2 -13.409  -4.353   3.321
   19    H    THR   3           H        THR   3 -10.208  -9.719   3.407
   20    HA   THR   3           HA       THR   3  -7.707  -9.113   1.913
   21    HB   THR   3           HB       THR   3  -9.121 -11.776   1.669
   22    HG1  THR   3           1HG      THR   3  -6.719 -11.918   2.852
   23   HG21  THR   3          3HG2      THR   3  -6.950 -12.462   0.667
   24   HG22  THR   3          1HG2      THR   3  -7.722 -11.175  -0.262
   25   HG23  THR   3          2HG2      THR   3  -6.365 -10.792   0.821
   26    H    PHE   4           H        PHE   4  -7.930  -8.613  -0.190
   27    HA   PHE   4           HA       PHE   4 -10.703  -8.194  -1.240
   28    HB2  PHE   4           1HB      PHE   4  -8.135  -6.618  -1.721
   29    HB3  PHE   4           2HB      PHE   4  -9.641  -6.296  -2.521
   30    HD1  PHE   4           1HD      PHE   4  -8.024  -6.293   0.877
   31    HD2  PHE   4           2HD      PHE   4 -11.333  -4.921  -1.546
   32    HE1  PHE   4           1HE      PHE   4  -8.798  -4.844   2.724
   33    HE2  PHE   4           2HE      PHE   4 -12.107  -3.511   0.319
   34    HZ   PHE   4           HZ       PHE   4 -10.845  -3.458   2.459
   35    H    THR   5           H        THR   5 -11.006  -8.258  -3.488
   36    HA   THR   5           HA       THR   5  -9.102  -9.887  -5.133
   37    HB   THR   5           HB       THR   5 -11.352 -10.894  -4.900
   38    HG1  THR   5           1HG      THR   5 -11.480 -11.238  -7.114
   39   HG21  THR   5          3HG2      THR   5 -13.275  -9.934  -6.039
   40   HG22  THR   5          1HG2      THR   5 -12.737  -8.788  -4.805
   41   HG23  THR   5          2HG2      THR   5 -12.351  -8.501  -6.519
   42    H    ARG   6           H        ARG   6  -8.982  -9.061  -7.458
   43    HA   ARG   6           HA       ARG   6  -7.959  -6.427  -7.330
   44    HB2  ARG   6           1HB      ARG   6  -7.321  -8.218  -8.953
   45    HB3  ARG   6           2HB      ARG   6  -8.795  -7.883  -9.868
   46    HG2  ARG   6           1HG      ARG   6  -8.052  -5.546 -10.240
   47    HG3  ARG   6           2HG      ARG   6  -6.616  -5.822  -9.242
   48    HD2  ARG   6           1HD      ARG   6  -7.276  -7.249 -11.848
   49    HD3  ARG   6           2HD      ARG   6  -6.133  -5.913 -11.670
   50    HE   ARG   6           HE       ARG   6  -5.001  -7.528  -9.922
   51   HH11  ARG   6          1HH1      ARG   6  -6.507  -8.742 -12.900
   52   HH12  ARG   6          2HH1      ARG   6  -5.429 -10.104 -12.970
   53   HH21  ARG   6          1HH2      ARG   6  -3.563  -9.126 -10.185
   54   HH22  ARG   6          2HH2      ARG   6  -3.785 -10.344 -11.427
   55    H    CYS   7           H        CYS   7 -11.093  -7.502  -8.717
   56    HA   CYS   7           HA       CYS   7 -12.042  -4.918  -9.484
   57    HB2  CYS   7           1HB      CYS   7 -13.642  -7.346  -8.597
   58    HB3  CYS   7           2HB      CYS   7 -14.252  -5.972  -9.516
   59    H    GLY   8           H        GLY   8 -11.983  -6.425  -6.304
   60    HA2  GLY   8           1HA      GLY   8 -13.739  -4.454  -5.015
   61    HA3  GLY   8           2HA      GLY   8 -12.708  -5.675  -4.222
   62    H    LEU   9           H        LEU   9 -10.183  -5.098  -5.092
   63    HA   LEU   9           HA       LEU   9  -9.424  -2.831  -3.579
   64    HB2  LEU   9           1HB      LEU   9  -8.027  -4.850  -4.022
   65    HB3  LEU   9           2HB      LEU   9  -7.891  -4.379  -5.720
   66    HG   LEU   9           HG       LEU   9  -6.770  -2.269  -5.025
   67   HD11  LEU   9          1HD1      LEU   9  -7.643  -1.909  -2.793
   68   HD12  LEU   9          2HD1      LEU   9  -7.005  -3.468  -2.242
   69   HD13  LEU   9          3HD1      LEU   9  -5.897  -2.129  -2.653
   70   HD21  LEU   9          3HD2      LEU   9  -4.633  -3.211  -4.529
   71   HD22  LEU   9          1HD2      LEU   9  -5.361  -4.677  -3.838
   72   HD23  LEU   9          2HD2      LEU   9  -5.476  -4.351  -5.587
   73    H    VAL  10           H        VAL  10  -9.602  -3.159  -7.171
   74    HA   VAL  10           HA       VAL  10  -8.754  -0.565  -7.880
   75    HB   VAL  10           HB       VAL  10 -10.865  -2.367  -9.125
   76   HG11  VAL  10          1HG1      VAL  10 -11.561  -0.229  -9.911
   77   HG12  VAL  10          2HG1      VAL  10  -9.902   0.334 -10.116
   78   HG13  VAL  10          3HG1      VAL  10 -10.563  -0.892 -11.207
   79   HG21  VAL  10          3HG2      VAL  10  -9.153  -2.752 -10.837
   80   HG22  VAL  10          1HG2      VAL  10  -8.056  -1.607 -10.043
   81   HG23  VAL  10          2HG2      VAL  10  -8.488  -3.126  -9.248
   82    H    HIS  11           H        HIS  11 -12.010  -1.604  -6.863
   83    HA   HIS  11           HA       HIS  11 -13.254   1.014  -7.022
   84    HB2  HIS  11           1HB      HIS  11 -14.005  -1.585  -5.637
   85    HB3  HIS  11           2HB      HIS  11 -14.978  -0.135  -5.531
   86    HD2  HIS  11           2HD      HIS  11 -13.520  -0.586  -9.016
   87    HE1  HIS  11           1HE      HIS  11 -17.523  -2.024  -9.188
   88    HE2  HIS  11           2HE      HIS  11 -15.500  -1.384 -10.577
   89    H    GLU  12           H        GLU  12 -11.874  -0.834  -4.284
   90    HA   GLU  12           HA       GLU  12 -12.543   0.969  -2.207
   91    HB2  GLU  12           1HB      GLU  12 -11.484  -1.490  -2.284
   92    HB3  GLU  12           2HB      GLU  12  -9.972  -0.619  -2.161
   93    HG2  GLU  12           1HG      GLU  12 -10.775  -1.370   0.006
   94    HG3  GLU  12           2HG      GLU  12 -10.738   0.401  -0.057
   95    H    LEU  13           H        LEU  13  -9.632   0.863  -4.283
   96    HA   LEU  13           HA       LEU  13  -8.381   3.189  -3.083
   97    HB2  LEU  13           1HB      LEU  13  -7.989   1.846  -5.770
   98    HB3  LEU  13           2HB      LEU  13  -6.871   2.994  -5.046
   99    HG   LEU  13           HG       LEU  13  -7.557   0.294  -3.867
  100   HD11  LEU  13          1HD1      LEU  13  -6.361   0.077  -5.965
  101   HD12  LEU  13          2HD1      LEU  13  -5.145   1.269  -5.430
  102   HD13  LEU  13          3HD1      LEU  13  -5.263  -0.313  -4.622
  103   HD21  LEU  13          3HD2      LEU  13  -5.658   0.628  -2.386
  104   HD22  LEU  13          1HD2      LEU  13  -5.401   2.262  -3.051
  105   HD23  LEU  13          2HD2      LEU  13  -6.869   1.883  -2.121
  106    H    ARG  14           H        ARG  14 -10.382   2.752  -6.023
  107    HA   ARG  14           HA       ARG  14 -10.358   5.455  -6.936
  108    HB2  ARG  14           1HB      ARG  14 -12.450   3.271  -7.086
  109    HB3  ARG  14           2HB      ARG  14 -12.774   4.880  -7.722
  110    HG2  ARG  14           1HG      ARG  14 -11.027   4.752  -9.339
  111    HG3  ARG  14           2HG      ARG  14 -10.364   3.274  -8.619
  112    HD2  ARG  14           1HD      ARG  14 -12.376   2.025  -9.168
  113    HD3  ARG  14           2HD      ARG  14 -13.157   3.491  -9.812
  114    HE   ARG  14           HE       ARG  14 -10.747   3.120 -11.221
  115   HH11  ARG  14          1HH1      ARG  14 -13.882   1.486 -10.919
  116   HH12  ARG  14          2HH1      ARG  14 -13.686   0.638 -12.437
  117   HH21  ARG  14          1HH2      ARG  14 -10.637   2.016 -13.240
  118   HH22  ARG  14          2HH2      ARG  14 -11.941   0.947 -13.690
  119    H    LYS  15           H        LYS  15 -12.418   3.951  -4.409
  120    HA   LYS  15           HA       LYS  15 -13.859   6.389  -3.747
  121    HB2  LYS  15           1HB      LYS  15 -13.451   3.722  -2.339
  122    HB3  LYS  15           2HB      LYS  15 -14.469   5.012  -1.692
  123    HG2  LYS  15           1HG      LYS  15 -15.939   4.948  -3.613
  124    HG3  LYS  15           2HG      LYS  15 -14.900   3.789  -4.454
  125    HD2  LYS  15           1HD      LYS  15 -15.273   2.131  -2.642
  126    HD3  LYS  15           2HD      LYS  15 -16.374   3.251  -1.833
  127    HE2  LYS  15           1HE      LYS  15 -16.747   2.154  -4.664
  128    HE3  LYS  15           2HE      LYS  15 -17.487   1.457  -3.221
  129    HZ1  LYS  15           3HZ      LYS  15 -19.024   2.939  -4.330
  130    HZ2  LYS  15           1HZ      LYS  15 -18.652   3.563  -2.867
  131    HZ3  LYS  15           2HZ      LYS  15 -17.996   4.202  -4.225
  132    H    HIS  16           H        HIS  16 -10.783   5.063  -2.676
  133    HA   HIS  16           HA       HIS  16 -10.536   6.981  -0.461
  134    HB2  HIS  16           1HB      HIS  16  -8.785   4.700  -1.465
  135    HB3  HIS  16           2HB      HIS  16  -8.377   5.737  -0.100
  136    HD2  HIS  16           2HD      HIS  16  -8.471   3.060   0.915
  137    HE1  HIS  16           1HE      HIS  16 -12.561   3.409   1.962
  138    HE2  HIS  16           2HE      HIS  16 -10.451   2.115   2.404
  139    H    GLY  17           H        GLY  17 -10.072   7.425  -3.683
  140    HA2  GLY  17           1HA      GLY  17  -9.411   9.489  -4.584
  141    HA3  GLY  17           2HA      GLY  17  -8.425   9.831  -3.144
  142    H    PHE  18           H        PHE  18  -8.187   6.843  -5.092
  143    HA   PHE  18           HA       PHE  18  -5.406   7.546  -5.846
  144    HB2  PHE  18           1HB      PHE  18  -7.035   5.020  -5.950
  145    HB3  PHE  18           2HB      PHE  18  -5.492   5.169  -6.767
  146    HD1  PHE  18           2HD      PHE  18  -6.956   5.808  -3.324
  147    HD2  PHE  18           1HD      PHE  18  -3.570   4.524  -5.654
  148    HE1  PHE  18           2HE      PHE  18  -5.705   5.399  -1.267
  149    HE2  PHE  18           1HE      PHE  18  -2.339   3.990  -3.563
  150    HZ   PHE  18           HZ       PHE  18  -3.400   4.415  -1.367
  151    H    GLU  19           H        GLU  19  -4.651   7.624  -7.869
  152    HA   GLU  19           HA       GLU  19  -6.294   8.936  -9.798
  153    HB2  GLU  19           1HB      GLU  19  -3.467   7.832  -9.979
  154    HB3  GLU  19           2HB      GLU  19  -4.207   8.945 -11.112
  155    HG2  GLU  19           1HG      GLU  19  -2.731  10.171  -9.746
  156    HG3  GLU  19           2HG      GLU  19  -4.378  10.652  -9.344
  157    H    GLU  20           H        GLU  20  -7.556   8.031 -11.349
  158    HA   GLU  20           HA       GLU  20  -7.807   5.252 -11.672
  159    HB2  GLU  20           1HB      GLU  20  -9.388   5.726 -13.432
  160    HB3  GLU  20           2HB      GLU  20  -9.616   6.829 -12.078
  161    HG2  GLU  20           1HG      GLU  20  -8.376   8.606 -13.351
  162    HG3  GLU  20           2HG      GLU  20  -8.222   7.494 -14.714
  163    H    ASN  21           H        ASN  21  -5.674   7.426 -13.450
  164    HA   ASN  21           HA       ASN  21  -5.050   5.443 -15.513
  165    HB2  ASN  21           1HB      ASN  21  -3.558   7.063 -16.389
  166    HB3  ASN  21           2HB      ASN  21  -5.043   7.900 -15.957
  167   HD21  ASN  21          2HD2      ASN  21  -1.787   8.351 -15.957
  168   HD22  ASN  21          1HD2      ASN  21  -1.637   9.367 -14.535
  169    H    LEU  22           H        LEU  22  -3.949   6.051 -12.267
  170    HA   LEU  22           HA       LEU  22  -1.440   4.477 -12.685
  171    HB2  LEU  22           1HB      LEU  22  -2.487   5.899 -10.219
  172    HB3  LEU  22           2HB      LEU  22  -0.933   5.122 -10.383
  173    HG   LEU  22           HG       LEU  22  -1.857   7.657 -11.786
  174   HD11  LEU  22          1HD1      LEU  22  -1.180   7.801  -9.375
  175   HD12  LEU  22          2HD1      LEU  22   0.403   7.133  -9.803
  176   HD13  LEU  22          3HD1      LEU  22  -0.106   8.710 -10.456
  177   HD21  LEU  22          3HD2      LEU  22   0.444   7.810 -12.723
  178   HD22  LEU  22          1HD2      LEU  22   0.777   6.161 -12.158
  179   HD23  LEU  22          2HD2      LEU  22  -0.461   6.452 -13.398
  180    H    MET  23           H        MET  23  -4.687   3.988 -11.706
  181    HA   MET  23           HA       MET  23  -4.671   2.236  -9.641
  182    HB2  MET  23           1HB      MET  23  -6.590   3.173 -11.052
  183    HB3  MET  23           2HB      MET  23  -6.382   1.793 -12.102
  184    HG2  MET  23           1HG      MET  23  -8.184   1.433 -10.459
  185    HG3  MET  23           2HG      MET  23  -6.893   0.260 -10.235
  186    HE1  MET  23           3HE      MET  23  -7.908   3.860  -7.573
  187    HE2  MET  23           1HE      MET  23  -6.653   4.110  -8.812
  188    HE3  MET  23           2HE      MET  23  -8.295   3.635  -9.285
  189    H    ARG  24           H        ARG  24  -3.989   1.182 -13.017
  190    HA   ARG  24           HA       ARG  24  -3.597  -1.563 -12.558
  191    HB2  ARG  24           1HB      ARG  24  -2.003   0.225 -14.459
  192    HB3  ARG  24           2HB      ARG  24  -2.152  -1.533 -14.536
  193    HG2  ARG  24           1HG      ARG  24  -4.620  -1.264 -14.902
  194    HG3  ARG  24           2HG      ARG  24  -4.377   0.495 -14.946
  195    HD2  ARG  24           1HD      ARG  24  -4.467  -0.233 -17.204
  196    HD3  ARG  24           2HD      ARG  24  -2.777   0.176 -16.855
  197    HE   ARG  24           HE       ARG  24  -3.372  -2.631 -16.388
  198   HH11  ARG  24          1HH1      ARG  24  -2.676  -0.409 -19.057
  199   HH12  ARG  24          2HH1      ARG  24  -2.097  -1.688 -20.081
  200   HH21  ARG  24          1HH2      ARG  24  -2.577  -4.214 -17.737
  201   HH22  ARG  24          2HH2      ARG  24  -2.056  -3.815 -19.345
  202    H    ASN  25           H        ASN  25  -1.127   1.053 -12.290
  203    HA   ASN  25           HA       ASN  25   1.033  -0.687 -11.448
  204    HB2  ASN  25           1HB      ASN  25   0.592   2.319 -11.236
  205    HB3  ASN  25           2HB      ASN  25   2.016   1.509 -10.596
  206   HD21  ASN  25          2HD2      ASN  25   0.505   2.674 -13.537
  207   HD22  ASN  25          1HD2      ASN  25   1.824   2.191 -14.583
  208    H    TRP  26           H        TRP  26  -1.402   1.277  -9.643
  209    HA   TRP  26           HA       TRP  26  -0.347   0.715  -7.060
  210    HB2  TRP  26           1HB      TRP  26  -3.064   1.597  -8.075
  211    HB3  TRP  26           2HB      TRP  26  -2.777   1.275  -6.374
  212    HD1  TRP  26           HD       TRP  26  -2.768   4.091  -8.612
  213    HE1  TRP  26           1HE      TRP  26  -1.588   6.112  -7.552
  214    HE3  TRP  26           3HE      TRP  26  -0.232   1.663  -4.894
  215    HZ2  TRP  26           2HZ      TRP  26   0.192   6.606  -5.322
  216    HZ3  TRP  26           3HZ      TRP  26   1.161   2.921  -3.290
  217    HH2  TRP  26           HH       TRP  26   1.376   5.397  -3.480
  218    H    VAL  27           H        VAL  27  -3.065  -0.982  -8.779
  219    HA   VAL  27           HA       VAL  27  -3.289  -2.886  -6.627
  220    HB   VAL  27           HB       VAL  27  -4.709  -4.238  -7.912
  221   HG11  VAL  27          1HG1      VAL  27  -5.517  -1.978  -7.105
  222   HG12  VAL  27          2HG1      VAL  27  -5.359  -1.403  -8.778
  223   HG13  VAL  27          3HG1      VAL  27  -6.461  -2.730  -8.396
  224   HG21  VAL  27          3HG2      VAL  27  -5.206  -3.858 -10.316
  225   HG22  VAL  27          1HG2      VAL  27  -3.830  -2.740 -10.402
  226   HG23  VAL  27          2HG2      VAL  27  -3.569  -4.456 -10.020
  227    H    CYS  28           H        CYS  28  -1.260  -2.924  -9.565
  228    HA   CYS  28           HA       CYS  28  -0.348  -5.634  -9.219
  229    HB2  CYS  28           1HB      CYS  28  -0.371  -4.175 -11.271
  230    HB3  CYS  28           2HB      CYS  28   1.047  -3.344 -10.654
  231    H    LEU  29           H        LEU  29   0.930  -2.524  -8.050
  232    HA   LEU  29           HA       LEU  29   3.241  -3.473  -6.647
  233    HB2  LEU  29           1HB      LEU  29   2.793  -1.159  -7.223
  234    HB3  LEU  29           2HB      LEU  29   1.340  -1.112  -6.257
  235    HG   LEU  29           HG       LEU  29   4.136  -1.398  -5.091
  236   HD11  LEU  29          1HD1      LEU  29   3.789   0.743  -6.329
  237   HD12  LEU  29          2HD1      LEU  29   2.308   1.039  -5.399
  238   HD13  LEU  29          3HD1      LEU  29   3.885   1.017  -4.593
  239   HD21  LEU  29          3HD2      LEU  29   2.986  -0.512  -3.003
  240   HD22  LEU  29          1HD2      LEU  29   1.430  -0.792  -3.795
  241   HD23  LEU  29          2HD2      LEU  29   2.520  -2.150  -3.419
  242    H    VAL  30           H        VAL  30  -0.076  -2.806  -5.469
  243    HA   VAL  30           HA       VAL  30   0.319  -3.760  -2.847
  244    HB   VAL  30           HB       VAL  30  -2.154  -3.425  -4.557
  245   HG11  VAL  30          1HG1      VAL  30  -2.828  -5.177  -3.027
  246   HG12  VAL  30          2HG1      VAL  30  -2.064  -4.331  -1.667
  247   HG13  VAL  30          3HG1      VAL  30  -3.504  -3.653  -2.462
  248   HG21  VAL  30          3HG2      VAL  30  -2.548  -1.505  -3.072
  249   HG22  VAL  30          1HG2      VAL  30  -1.138  -1.945  -2.082
  250   HG23  VAL  30          2HG2      VAL  30  -0.918  -1.387  -3.747
  251    H    GLU  31           H        GLU  31  -0.917  -5.609  -5.692
  252    HA   GLU  31           HA       GLU  31  -1.409  -8.032  -4.287
  253    HB2  GLU  31           1HB      GLU  31  -0.735  -7.382  -7.185
  254    HB3  GLU  31           2HB      GLU  31  -0.987  -9.051  -6.653
  255    HG2  GLU  31           1HG      GLU  31  -3.213  -8.619  -5.923
  256    HG3  GLU  31           2HG      GLU  31  -3.057  -6.880  -6.154
  257    H    HIS  32           H        HIS  32   1.712  -6.901  -5.810
  258    HA   HIS  32           HA       HIS  32   3.023  -9.390  -5.085
  259    HB2  HIS  32           1HB      HIS  32   3.568  -7.784  -6.993
  260    HB3  HIS  32           2HB      HIS  32   4.375  -6.785  -5.781
  261    HD2  HIS  32           2HD      HIS  32   4.566 -10.099  -7.657
  262    HE1  HIS  32           1HE      HIS  32   8.255  -9.775  -5.551
  263    HE2  HIS  32           2HE      HIS  32   6.959 -11.143  -7.275
  264    H    GLU  33           H        GLU  33   2.487  -6.359  -3.381
  265    HA   GLU  33           HA       GLU  33   4.560  -6.869  -1.368
  266    HB2  GLU  33           1HB      GLU  33   2.365  -4.790  -1.623
  267    HB3  GLU  33           2HB      GLU  33   3.384  -4.895  -0.203
  268    HG2  GLU  33           1HG      GLU  33   4.416  -4.434  -3.023
  269    HG3  GLU  33           2HG      GLU  33   4.106  -3.178  -1.835
  270    H    SER  34           H        SER  34   0.919  -6.814  -1.201
  271    HA   SER  34           HA       SER  34   1.105  -8.417   1.340
  272    HB2  SER  34           1HB      SER  34  -0.915  -7.288   1.997
  273    HB3  SER  34           2HB      SER  34   0.301  -6.082   1.560
  274    HG   SER  34           HG       SER  34  -0.971  -5.406   0.033
  275    H    SER  35           H        SER  35   0.205  -8.831  -1.906
  276    HA   SER  35           HA       SER  35  -1.273 -10.085  -3.062
  277    HB2  SER  35           1HB      SER  35  -1.937 -11.783  -0.698
  278    HB3  SER  35           2HB      SER  35  -1.835 -12.221  -2.395
  279    HG   SER  35           HG       SER  35   0.483 -11.973  -2.216
  280    H    ARG  36           H        ARG  36  -2.211  -7.806  -1.326
  281    HA   ARG  36           HA       ARG  36  -4.056  -6.631  -0.950
  282    HB2  ARG  36           1HB      ARG  36  -5.979  -8.642  -2.053
  283    HB3  ARG  36           2HB      ARG  36  -6.033  -6.875  -2.031
  284    HG2  ARG  36           1HG      ARG  36  -4.223  -6.910  -3.822
  285    HG3  ARG  36           2HG      ARG  36  -4.426  -8.658  -3.876
  286    HD2  ARG  36           1HD      ARG  36  -7.058  -7.925  -4.037
  287    HD3  ARG  36           2HD      ARG  36  -6.331  -6.510  -4.759
  288    HE   ARG  36           HE       ARG  36  -5.692  -7.750  -6.601
  289   HH11  ARG  36          1HH1      ARG  36  -6.819 -10.090  -4.161
  290   HH12  ARG  36          2HH1      ARG  36  -6.616 -11.418  -5.269
  291   HH21  ARG  36          1HH2      ARG  36  -5.461  -9.408  -7.880
  292   HH22  ARG  36          2HH2      ARG  36  -5.927 -11.041  -7.418
  293    H    ASP  37           H        ASP  37  -3.069  -8.387   1.020
  294    HA   ASP  37           HA       ASP  37  -5.519  -9.029   2.658
  295    HB2  ASP  37           1HB      ASP  37  -2.734 -10.190   3.018
  296    HB3  ASP  37           2HB      ASP  37  -4.142 -10.444   4.049
  297    H    THR  38           H        THR  38  -5.866  -7.450   4.202
  298    HA   THR  38           HA       THR  38  -3.828  -5.475   4.837
  299    HB   THR  38           HB       THR  38  -5.326  -4.625   6.551
  300    HG1  THR  38           1HG      THR  38  -7.262  -5.556   6.928
  301   HG21  THR  38          3HG2      THR  38  -7.306  -4.067   5.175
  302   HG22  THR  38          1HG2      THR  38  -5.784  -3.852   4.307
  303   HG23  THR  38          2HG2      THR  38  -6.815  -5.272   3.969
  304    H    SER  39           H        SER  39  -4.769  -8.503   6.291
  305    HA   SER  39           HA       SER  39  -3.513  -8.149   8.830
  306    HB2  SER  39           1HB      SER  39  -4.080 -10.722   7.317
  307    HB3  SER  39           2HB      SER  39  -3.868 -10.547   9.064
  308    HG   SER  39           HG       SER  39  -6.095 -10.680   8.245
  309    H    LYS  40           H        LYS  40  -1.921  -8.467   5.831
  310    HA   LYS  40           HA       LYS  40   0.065 -10.409   6.613
  311    HB2  LYS  40           1HB      LYS  40  -0.845  -9.988   4.308
  312    HB3  LYS  40           2HB      LYS  40   0.107  -8.515   4.227
  313    HG2  LYS  40           1HG      LYS  40   2.152  -9.654   4.136
  314    HG3  LYS  40           2HG      LYS  40   1.530 -11.084   4.939
  315    HD2  LYS  40           1HD      LYS  40   0.846 -10.302   2.119
  316    HD3  LYS  40           2HD      LYS  40   2.056 -11.490   2.559
  317    HE2  LYS  40           1HE      LYS  40   0.481 -13.072   3.251
  318    HE3  LYS  40           2HE      LYS  40  -0.749 -11.859   3.612
  319    HZ1  LYS  40           3HZ      LYS  40  -1.313 -13.048   1.597
  320    HZ2  LYS  40           1HZ      LYS  40  -1.047 -11.476   1.260
  321    HZ3  LYS  40           2HZ      LYS  40   0.080 -12.588   0.857
  322    H    THR  41           H        THR  41   2.139 -10.215   7.225
  323    HA   THR  41           HA       THR  41   3.483  -7.588   7.369
  324    HB   THR  41           HB       THR  41   4.514  -8.242   9.561
  325    HG1  THR  41           1HG      THR  41   2.282  -9.974   9.800
  326   HG21  THR  41          3HG2      THR  41   2.782  -7.474  11.025
  327   HG22  THR  41          1HG2      THR  41   2.798  -6.516   9.553
  328   HG23  THR  41          2HG2      THR  41   1.531  -7.746   9.774
  329    H    ASN  42           H        ASN  42   5.704  -7.656   7.526
  330    HA   ASN  42           HA       ASN  42   7.106 -10.211   7.045
  331    HB2  ASN  42           1HB      ASN  42   6.997  -7.867   5.100
  332    HB3  ASN  42           2HB      ASN  42   8.346  -8.988   5.125
  333   HD21  ASN  42          2HD2      ASN  42   5.063  -8.535   4.061
  334   HD22  ASN  42          1HD2      ASN  42   4.928 -10.103   3.268
  335    H    THR  43           H        THR  43   8.933 -10.266   8.226
  336    HA   THR  43           HA       THR  43   9.919  -7.808   9.563
  337    HB   THR  43           HB       THR  43  10.745 -10.694  10.025
  338    HG1  THR  43           1HG      THR  43   9.202 -10.667  11.625
  339   HG21  THR  43          3HG2      THR  43  11.368  -9.789  12.281
  340   HG22  THR  43          1HG2      THR  43  12.325  -9.057  10.991
  341   HG23  THR  43          2HG2      THR  43  10.981  -8.149  11.716
  342    H    ASN  44           H        ASN  44  11.884  -6.950   9.289
  343    HA   ASN  44           HA       ASN  44  13.445  -7.779   6.900
  344    HB2  ASN  44           1HB      ASN  44  13.439  -5.193   8.515
  345    HB3  ASN  44           2HB      ASN  44  14.370  -5.487   7.051
  346   HD21  ASN  44          2HD2      ASN  44  11.139  -4.989   8.337
  347   HD22  ASN  44          1HD2      ASN  44  10.382  -4.581   6.784
  348    H    ARG  45           H        ARG  45  15.747  -7.720   6.948
  349    HA   ARG  45           HA       ARG  45  16.991  -9.101   9.121
  350    HB2  ARG  45           1HB      ARG  45  18.321  -7.537   6.866
  351    HB3  ARG  45           2HB      ARG  45  19.093  -8.738   7.911
  352    HG2  ARG  45           1HG      ARG  45  17.444 -10.458   7.055
  353    HG3  ARG  45           2HG      ARG  45  16.824  -9.231   5.942
  354    HD2  ARG  45           1HD      ARG  45  18.347 -10.602   4.713
  355    HD3  ARG  45           2HD      ARG  45  19.106  -9.018   4.942
  356    HE   ARG  45           HE       ARG  45  19.848 -10.867   7.041
  357   HH11  ARG  45          1HH1      ARG  45  20.610 -10.163   3.658
  358   HH12  ARG  45          2HH1      ARG  45  22.202 -10.852   3.780
  359   HH21  ARG  45          1HH2      ARG  45  21.915 -11.729   7.132
  360   HH22  ARG  45          2HH2      ARG  45  22.924 -11.730   5.719
  361    H    ASN  46           H        ASN  46  16.605  -5.706   8.535
  362    HA   ASN  46           HA       ASN  46  18.550  -4.839  10.536
  363    HB2  ASN  46           1HB      ASN  46  17.934  -3.691   8.318
  364    HB3  ASN  46           2HB      ASN  46  16.451  -3.165   9.111
  365   HD21  ASN  46          2HD2      ASN  46  17.344  -0.982   8.541
  366   HD22  ASN  46          1HD2      ASN  46  18.553  -0.271   9.595
  367    H    GLY  47           H        GLY  47  15.629  -6.281  11.015
  368    HA2  GLY  47           1HA      GLY  47  14.630  -6.680  13.049
  369    HA3  GLY  47           2HA      GLY  47  15.453  -5.274  13.758
  370    H    SER  48           H        SER  48  13.917  -4.116  11.036
  371    HA   SER  48           HA       SER  48  11.508  -3.193  12.508
  372    HB2  SER  48           1HB      SER  48  11.210  -1.760  10.518
  373    HB3  SER  48           2HB      SER  48  12.755  -1.509  11.328
  374    HG   SER  48           HG       SER  48  13.213  -1.656   9.153
  375    H    LYS  49           H        LYS  49   9.419  -3.254  11.342
  376    HA   LYS  49           HA       LYS  49   9.078  -5.667   9.616
  377    HB2  LYS  49           1HB      LYS  49   8.550  -6.032  12.098
  378    HB3  LYS  49           2HB      LYS  49   7.171  -4.964  11.863
  379    HG2  LYS  49           1HG      LYS  49   6.317  -6.493  10.073
  380    HG3  LYS  49           2HG      LYS  49   7.671  -7.578  10.401
  381    HD2  LYS  49           1HD      LYS  49   5.434  -6.828  12.324
  382    HD3  LYS  49           2HD      LYS  49   5.633  -8.367  11.475
  383    HE2  LYS  49           1HE      LYS  49   7.819  -8.700  12.652
  384    HE3  LYS  49           2HE      LYS  49   7.504  -7.231  13.590
  385    HZ1  LYS  49           3HZ      LYS  49   6.816  -9.215  14.796
  386    HZ2  LYS  49           1HZ      LYS  49   5.502  -8.303  14.465
  387    HZ3  LYS  49           2HZ      LYS  49   5.800  -9.661  13.600
  388    H    ASP  50           H        ASP  50   7.436  -5.648   8.197
  389    HA   ASP  50           HA       ASP  50   6.380  -3.005   7.356
  390    HB2  ASP  50           1HB      ASP  50   6.440  -5.660   5.873
  391    HB3  ASP  50           2HB      ASP  50   6.061  -4.079   5.214
  392    H    TYR  51           H        TYR  51   4.181  -2.657   7.188
  393    HA   TYR  51           HA       TYR  51   2.277  -4.802   8.074
  394    HB2  TYR  51           1HB      TYR  51   2.552  -1.913   8.986
  395    HB3  TYR  51           2HB      TYR  51   1.242  -2.986   9.452
  396    HD1  TYR  51           2HD      TYR  51   4.862  -2.272   9.807
  397    HD2  TYR  51           1HD      TYR  51   1.522  -4.582  11.231
  398    HE1  TYR  51           2HE      TYR  51   6.153  -2.882  11.826
  399    HE2  TYR  51           1HE      TYR  51   2.797  -5.183  13.278
  400    HH   TYR  51           HH       TYR  51   4.760  -4.908  14.456
  401    H    GLY  52           H        GLY  52   0.171  -4.730   7.347
  402    HA2  GLY  52           1HA      GLY  52  -1.768  -3.926   6.353
  403    HA3  GLY  52           2HA      GLY  52  -0.983  -2.351   6.154
  404    H    LEU  53           H        LEU  53  -2.502  -2.706   4.203
  405    HA   LEU  53           HA       LEU  53  -1.817  -4.637   2.299
  406    HB2  LEU  53           1HB      LEU  53  -3.918  -2.845   2.651
  407    HB3  LEU  53           2HB      LEU  53  -3.071  -2.064   1.326
  408    HG   LEU  53           HG       LEU  53  -3.101  -4.472   0.231
  409   HD11  LEU  53          1HD1      LEU  53  -3.855  -5.703   2.157
  410   HD12  LEU  53          2HD1      LEU  53  -5.301  -4.676   2.306
  411   HD13  LEU  53          3HD1      LEU  53  -5.144  -5.742   0.933
  412   HD21  LEU  53          3HD2      LEU  53  -5.239  -4.140  -0.773
  413   HD22  LEU  53          1HD2      LEU  53  -5.714  -2.969   0.484
  414   HD23  LEU  53          2HD2      LEU  53  -4.407  -2.566  -0.649
  415    H    PHE  54           H        PHE  54  -0.297  -1.566   2.686
  416    HA   PHE  54           HA       PHE  54   1.161  -1.886   0.103
  417    HB2  PHE  54           1HB      PHE  54   0.977   0.478   1.999
  418    HB3  PHE  54           2HB      PHE  54   1.841   0.455   0.475
  419    HD1  PHE  54           2HD      PHE  54  -1.549   0.293   2.004
  420    HD2  PHE  54           1HD      PHE  54   0.711   0.811  -1.627
  421    HE1  PHE  54           2HE      PHE  54  -3.602   1.015   0.844
  422    HE2  PHE  54           1HE      PHE  54  -1.352   1.565  -2.785
  423    HZ   PHE  54           HZ       PHE  54  -3.509   1.665  -1.563
  424    H    GLN  55           H        GLN  55   1.560  -3.149   3.077
  425    HA   GLN  55           HA       GLN  55   3.251  -3.732   4.436
  426    HB2  GLN  55           1HB      GLN  55   4.600  -3.912   1.716
  427    HB3  GLN  55           2HB      GLN  55   5.333  -4.546   3.182
  428    HG2  GLN  55           1HG      GLN  55   2.683  -5.449   2.002
  429    HG3  GLN  55           2HG      GLN  55   4.227  -6.303   1.947
  430   HE21  GLN  55          2HE2      GLN  55   1.384  -5.635   3.926
  431   HE22  GLN  55          1HE2      GLN  55   1.911  -6.570   5.297
  432    H    ILE  56           H        ILE  56   2.997  -1.421   5.164
  433    HA   ILE  56           HA       ILE  56   5.187   0.440   4.522
  434    HB   ILE  56           HB       ILE  56   2.897   0.846   6.506
  435   HG12  ILE  56          1HG1      ILE  56   3.029   1.408   3.489
  436   HG13  ILE  56          2HG1      ILE  56   1.938   0.235   4.259
  437   HG21  ILE  56          1HG2      ILE  56   4.789   2.400   6.632
  438   HG22  ILE  56          2HG2      ILE  56   4.576   2.803   4.911
  439   HG23  ILE  56          3HG2      ILE  56   3.316   3.198   6.106
  440   HD11  ILE  56          3HD1      ILE  56   0.579   2.060   3.719
  441   HD12  ILE  56          1HD1      ILE  56   0.863   2.220   5.465
  442   HD13  ILE  56          2HD1      ILE  56   1.757   3.235   4.299
  443    H    ASN  57           H        ASN  57   6.883   0.966   5.886
  444    HA   ASN  57           HA       ASN  57   7.330  -1.009   8.017
  445    HB2  ASN  57           1HB      ASN  57   8.888  -0.738   6.127
  446    HB3  ASN  57           2HB      ASN  57   9.252   0.903   6.684
  447   HD21  ASN  57          2HD2      ASN  57   9.869  -2.501   7.161
  448   HD22  ASN  57          1HD2      ASN  57  11.083  -2.275   8.427
  449    H    ASP  58           H        ASP  58   7.686  -0.640  10.075
  450    HA   ASP  58           HA       ASP  58   6.702   1.655  11.346
  451    HB2  ASP  58           1HB      ASP  58   7.146   0.628  13.363
  452    HB3  ASP  58           2HB      ASP  58   6.775  -0.675  12.244
  453    H    ARG  59           H        ARG  59   9.836   1.331  10.077
  454    HA   ARG  59           HA       ARG  59  11.028   3.369  11.878
  455    HB2  ARG  59           1HB      ARG  59  12.046   1.106  11.296
  456    HB3  ARG  59           2HB      ARG  59  12.405   1.755   9.703
  457    HG2  ARG  59           1HG      ARG  59  13.864   3.449  10.622
  458    HG3  ARG  59           2HG      ARG  59  13.331   3.101  12.273
  459    HD2  ARG  59           1HD      ARG  59  14.808   1.137  10.474
  460    HD3  ARG  59           2HD      ARG  59  15.590   2.173  11.681
  461    HE   ARG  59           HE       ARG  59  13.626   0.846  13.111
  462   HH11  ARG  59          1HH1      ARG  59  16.450  -0.212  11.254
  463   HH12  ARG  59          2HH1      ARG  59  16.582  -1.701  12.156
  464   HH21  ARG  59          1HH2      ARG  59  13.915  -1.084  14.254
  465   HH22  ARG  59          2HH2      ARG  59  15.223  -2.150  13.823
  466    H    TYR  60           H        TYR  60   9.295   3.351   9.042
  467    HA   TYR  60           HA       TYR  60  10.717   5.740   7.879
  468    HB2  TYR  60           1HB      TYR  60   9.384   3.358   6.555
  469    HB3  TYR  60           2HB      TYR  60   9.743   4.854   5.713
  470    HD1  TYR  60           2HD      TYR  60  11.438   2.144   7.670
  471    HD2  TYR  60           1HD      TYR  60  11.785   5.234   4.698
  472    HE1  TYR  60           2HE      TYR  60  13.746   1.374   7.162
  473    HE2  TYR  60           1HE      TYR  60  14.106   4.480   4.182
  474    HH   TYR  60           HH       TYR  60  15.635   1.710   5.884
  475    H    TRP  61           H        TRP  61   7.425   4.266   8.163
  476    HA   TRP  61           HA       TRP  61   6.269   7.001   7.668
  477    HB2  TRP  61           1HB      TRP  61   5.514   4.451   6.287
  478    HB3  TRP  61           2HB      TRP  61   4.780   6.005   5.985
  479    HD1  TRP  61           HD       TRP  61   7.197   3.665   4.661
  480    HE1  TRP  61           1HE      TRP  61   8.676   4.689   2.843
  481    HE3  TRP  61           3HE      TRP  61   6.138   8.617   5.455
  482    HZ2  TRP  61           2HZ      TRP  61   9.248   7.317   1.786
  483    HZ3  TRP  61           3HZ      TRP  61   7.075  10.350   3.951
  484    HH2  TRP  61           HH       TRP  61   8.640   9.718   2.124
  485    H    CYS  62           H        CYS  62   5.619   3.726   9.028
  486    HA   CYS  62           HA       CYS  62   3.422   5.003  10.621
  487    HB2  CYS  62           1HB      CYS  62   2.706   2.603  11.009
  488    HB3  CYS  62           2HB      CYS  62   2.450   3.275   9.416
  489    H    SER  63           H        SER  63   3.170   4.200  12.827
  490    HA   SER  63           HA       SER  63   5.769   3.814  14.270
  491    HB2  SER  63           1HB      SER  63   4.428   5.862  14.773
  492    HB3  SER  63           2HB      SER  63   3.086   4.826  15.279
  493    HG   SER  63           HG       SER  63   4.210   5.319  17.111
  494    H    LYS  64           H        LYS  64   6.143   1.988  15.400
  495    HA   LYS  64           HA       LYS  64   4.074  -0.111  15.589
  496    HB2  LYS  64           1HB      LYS  64   5.917  -1.488  16.476
  497    HB3  LYS  64           2HB      LYS  64   6.268  -0.817  14.894
  498    HG2  LYS  64           1HG      LYS  64   7.829   0.758  15.761
  499    HG3  LYS  64           2HG      LYS  64   7.215   0.617  17.414
  500    HD2  LYS  64           1HD      LYS  64   8.089  -1.594  17.673
  501    HD3  LYS  64           2HD      LYS  64   8.588  -1.667  15.958
  502    HE2  LYS  64           1HE      LYS  64  10.111   0.243  16.317
  503    HE3  LYS  64           2HE      LYS  64   9.609   0.346  18.012
  504    HZ1  LYS  64           3HZ      LYS  64  11.693  -0.878  17.780
  505    HZ2  LYS  64           1HZ      LYS  64  10.537  -1.881  18.352
  506    HZ3  LYS  64           2HZ      LYS  64  11.000  -1.974  16.785
  507    H    GLY  65           H        GLY  65   4.948   2.448  17.591
  508    HA2  GLY  65           1HA      GLY  65   4.976   1.069  20.168
  509    HA3  GLY  65           2HA      GLY  65   5.078   2.807  19.877
  510    H    ALA  66           H        ALA  66   3.683   3.005  21.743
  511    HA   ALA  66           HA       ALA  66   0.961   1.955  21.689
  512    HB1  ALA  66           1HB      ALA  66   2.298   2.174  23.763
  513    HB2  ALA  66           2HB      ALA  66   2.323   3.944  23.562
  514    HB3  ALA  66           3HB      ALA  66   0.790   3.097  23.856
  515    H    SER  67           H        SER  67   2.193   4.423  19.886
  516    HA   SER  67           HA       SER  67  -0.354   5.868  19.616
  517    HB2  SER  67           1HB      SER  67   0.783   6.842  21.632
  518    HB3  SER  67           2HB      SER  67   2.152   7.285  20.603
  519    HG   SER  67           HG       SER  67   0.647   9.017  20.899
  520    HA   PRO  68           HA       PRO  68   1.495   6.461  15.497
  521    HB2  PRO  68           1HB      PRO  68  -0.055   8.491  14.523
  522    HB3  PRO  68           2HB      PRO  68  -0.656   6.812  14.709
  523    HG2  PRO  68           1HG      PRO  68  -1.015   9.133  16.629
  524    HG3  PRO  68           2HG      PRO  68  -2.271   8.026  15.980
  525    HD2  PRO  68           1HD      PRO  68  -1.156   7.603  18.399
  526    HD3  PRO  68           2HD      PRO  68  -1.505   6.228  17.316
  527    H    GLY  69           H        GLY  69   2.800   8.084  14.355
  528    HA2  GLY  69           1HA      GLY  69   3.526  10.635  15.250
  529    HA3  GLY  69           2HA      GLY  69   4.434   9.541  16.279
  530    H    LYS  70           H        LYS  70   3.753  10.400  12.948
  531    HA   LYS  70           HA       LYS  70   6.496  10.026  11.984
  532    HB2  LYS  70           1HB      LYS  70   4.152   8.247  11.158
  533    HB3  LYS  70           2HB      LYS  70   5.471   8.548  10.049
  534    HG2  LYS  70           1HG      LYS  70   5.771   7.182  12.737
  535    HG3  LYS  70           2HG      LYS  70   5.698   6.431  11.156
  536    HD2  LYS  70           1HD      LYS  70   7.712   7.816  10.484
  537    HD3  LYS  70           2HD      LYS  70   7.910   8.202  12.205
  538    HE2  LYS  70           1HE      LYS  70   7.834   5.392  11.013
  539    HE3  LYS  70           2HE      LYS  70   9.322   6.283  11.358
  540    HZ1  LYS  70           3HZ      LYS  70   8.644   4.706  13.115
  541    HZ2  LYS  70           1HZ      LYS  70   8.780   6.248  13.692
  542    HZ3  LYS  70           2HZ      LYS  70   7.304   5.582  13.405
  543    H    ASP  71           H        ASP  71   6.507  10.508   9.537
  544    HA   ASP  71           HA       ASP  71   5.291  13.003   8.881
  545    HB2  ASP  71           1HB      ASP  71   6.484  10.821   7.122
  546    HB3  ASP  71           2HB      ASP  71   6.028  12.422   6.546
  547    H    CYS  72           H        CYS  72   3.993   9.758   8.597
  548    HA   CYS  72           HA       CYS  72   1.585  10.780   7.144
  549    HB2  CYS  72           1HB      CYS  72   2.461   7.933   7.684
  550    HB3  CYS  72           2HB      CYS  72   1.105   8.450   6.691
  551    H    ASN  73           H        ASN  73   2.509  10.423  10.323
  552    HA   ASN  73           HA       ASN  73   1.457  10.217  12.303
  553    HB2  ASN  73           1HB      ASN  73   0.777  12.402  11.311
  554    HB3  ASN  73           2HB      ASN  73  -0.723  11.659  10.754
  555   HD21  ASN  73          2HD2      ASN  73  -1.981  13.140  12.069
  556   HD22  ASN  73          1HD2      ASN  73  -2.043  12.950  13.813
  557    H    VAL  74           H        VAL  74   1.349   7.771  11.500
  558    HA   VAL  74           HA       VAL  74  -1.307   6.724  12.242
  559    HB   VAL  74           HB       VAL  74  -1.336   7.083   9.786
  560   HG11  VAL  74          1HG1      VAL  74   1.061   6.655   9.269
  561   HG12  VAL  74          2HG1      VAL  74   0.819   4.931   9.630
  562   HG13  VAL  74          3HG1      VAL  74  -0.034   5.683   8.275
  563   HG21  VAL  74          3HG2      VAL  74  -2.262   4.940   9.204
  564   HG22  VAL  74          1HG2      VAL  74  -1.424   4.149  10.552
  565   HG23  VAL  74          2HG2      VAL  74  -2.708   5.339  10.871
  566    H    LYS  75           H        LYS  75  -1.334   4.723  13.084
  567    HA   LYS  75           HA       LYS  75   1.237   3.623  14.041
  568    HB2  LYS  75           1HB      LYS  75  -0.863   4.372  15.413
  569    HB3  LYS  75           2HB      LYS  75  -1.532   2.810  14.938
  570    HG2  LYS  75           1HG      LYS  75   0.356   1.663  16.055
  571    HG3  LYS  75           2HG      LYS  75   1.119   3.227  16.372
  572    HD2  LYS  75           1HD      LYS  75   0.158   2.605  18.397
  573    HD3  LYS  75           2HD      LYS  75  -0.877   3.872  17.789
  574    HE2  LYS  75           1HE      LYS  75  -1.571   0.954  17.277
  575    HE3  LYS  75           2HE      LYS  75  -1.792   1.626  18.889
  576    HZ1  LYS  75           3HZ      LYS  75  -3.821   1.847  17.683
  577    HZ2  LYS  75           1HZ      LYS  75  -3.232   3.347  17.913
  578    HZ3  LYS  75           2HZ      LYS  75  -3.141   2.631  16.436
  579    H    CYS  76           H        CYS  76   1.985   1.617  13.489
  580    HA   CYS  76           HA       CYS  76   1.362   0.217  11.170
  581    HB2  CYS  76           1HB      CYS  76   2.476  -0.899  13.778
  582    HB3  CYS  76           2HB      CYS  76   2.643  -1.623  12.185
  583    H    SER  77           H        SER  77  -0.054  -0.399  14.405
  584    HA   SER  77           HA       SER  77  -1.441  -2.811  13.671
  585    HB2  SER  77           1HB      SER  77  -0.833  -2.035  15.991
  586    HB3  SER  77           2HB      SER  77  -2.171  -0.875  15.890
  587    HG   SER  77           HG       SER  77  -2.764  -2.880  16.911
  588    H    ASP  78           H        ASP  78  -2.434   0.636  13.366
  589    HA   ASP  78           HA       ASP  78  -5.202   0.009  12.715
  590    HB2  ASP  78           1HB      ASP  78  -3.497   2.511  12.404
  591    HB3  ASP  78           2HB      ASP  78  -5.180   2.414  11.911
  592    H    LEU  79           H        LEU  79  -2.289  -0.414  10.989
  593    HA   LEU  79           HA       LEU  79  -3.519  -0.116   8.321
  594    HB2  LEU  79           1HB      LEU  79  -0.865  -1.430   8.955
  595    HB3  LEU  79           2HB      LEU  79  -1.421  -0.727   7.443
  596    HG   LEU  79           HG       LEU  79  -0.609   0.792   9.948
  597   HD11  LEU  79          1HD1      LEU  79   1.257  -0.098   8.659
  598   HD12  LEU  79          2HD1      LEU  79   0.574   0.543   7.152
  599   HD13  LEU  79          3HD1      LEU  79   1.161   1.652   8.406
  600   HD21  LEU  79          3HD2      LEU  79  -0.904   2.845   8.555
  601   HD22  LEU  79          1HD2      LEU  79  -1.687   1.851   7.319
  602   HD23  LEU  79          2HD2      LEU  79  -2.442   2.044   8.913
  603    H    LEU  80           H        LEU  80  -3.471  -2.509  10.762
  604    HA   LEU  80           HA       LEU  80  -3.767  -4.795   8.911
  605    HB2  LEU  80           1HB      LEU  80  -3.684  -4.746  11.944
  606    HB3  LEU  80           2HB      LEU  80  -3.569  -6.166  10.914
  607    HG   LEU  80           HG       LEU  80  -1.499  -3.951  11.116
  608   HD11  LEU  80          1HD1      LEU  80  -1.650  -5.400  13.112
  609   HD12  LEU  80          2HD1      LEU  80  -1.488  -6.844  12.088
  610   HD13  LEU  80          3HD1      LEU  80  -0.143  -5.699  12.236
  611   HD21  LEU  80          3HD2      LEU  80  -0.050  -5.471   9.765
  612   HD22  LEU  80          1HD2      LEU  80  -1.449  -6.528   9.491
  613   HD23  LEU  80          2HD2      LEU  80  -1.438  -4.862   8.862
  614    H    THR  81           H        THR  81  -5.890  -2.587   9.649
  615    HA   THR  81           HA       THR  81  -8.024  -4.166  10.913
  616    HB   THR  81           HB       THR  81  -7.293  -1.895  11.642
  617    HG1  THR  81           1HG      THR  81  -9.413  -1.354  12.139
  618   HG21  THR  81          3HG2      THR  81  -7.972   0.071  10.559
  619   HG22  THR  81          1HG2      THR  81  -7.269  -0.896   9.258
  620   HG23  THR  81          2HG2      THR  81  -9.032  -0.786   9.416
  621    H    ASP  82           H        ASP  82 -10.283  -3.064   9.978
  622    HA   ASP  82           HA       ASP  82 -10.666  -4.689   7.552
  623    HB2  ASP  82           1HB      ASP  82 -12.902  -4.854   8.184
  624    HB3  ASP  82           2HB      ASP  82 -11.984  -4.960   9.683
  625    H    ASP  83           H        ASP  83  -9.937  -1.636   7.871
  626    HA   ASP  83           HA       ASP  83 -11.042  -0.973   5.202
  627    HB2  ASP  83           1HB      ASP  83 -12.401   0.263   6.918
  628    HB3  ASP  83           2HB      ASP  83 -10.938   1.125   7.394
  629    H    ILE  84           H        ILE  84  -9.491  -0.528   3.872
  630    HA   ILE  84           HA       ILE  84  -6.720  -0.589   4.673
  631    HB   ILE  84           HB       ILE  84  -6.211  -0.604   2.350
  632   HG12  ILE  84          1HG1      ILE  84  -9.053   0.343   1.763
  633   HG13  ILE  84          2HG1      ILE  84  -7.598   1.338   1.690
  634   HG21  ILE  84          1HG2      ILE  84  -7.419  -2.612   3.300
  635   HG22  ILE  84          2HG2      ILE  84  -8.914  -2.004   2.587
  636   HG23  ILE  84          3HG2      ILE  84  -7.564  -2.463   1.546
  637   HD11  ILE  84          3HD1      ILE  84  -8.237   0.718  -0.519
  638   HD12  ILE  84          1HD1      ILE  84  -6.671  -0.025  -0.102
  639   HD13  ILE  84          2HD1      ILE  84  -8.165  -1.009  -0.126
  640    H    THR  85           H        THR  85  -8.879   2.037   4.488
  641    HA   THR  85           HA       THR  85  -7.468   4.068   3.236
  642    HB   THR  85           HB       THR  85  -9.809   4.117   3.904
  643    HG1  THR  85           1HG      THR  85  -9.800   6.320   4.303
  644   HG21  THR  85          3HG2      THR  85 -10.519   4.837   6.083
  645   HG22  THR  85          1HG2      THR  85  -9.508   3.402   6.309
  646   HG23  THR  85          2HG2      THR  85  -8.842   5.015   6.647
  647    H    LYS  86           H        LYS  86  -6.940   2.994   6.565
  648    HA   LYS  86           HA       LYS  86  -5.232   5.156   7.373
  649    HB2  LYS  86           1HB      LYS  86  -5.158   2.234   8.238
  650    HB3  LYS  86           2HB      LYS  86  -4.504   3.602   9.133
  651    HG2  LYS  86           1HG      LYS  86  -7.455   3.041   8.585
  652    HG3  LYS  86           2HG      LYS  86  -6.604   2.824  10.107
  653    HD2  LYS  86           1HD      LYS  86  -6.155   5.286  10.196
  654    HD3  LYS  86           2HD      LYS  86  -7.115   5.486   8.710
  655    HE2  LYS  86           1HE      LYS  86  -9.080   4.471   9.840
  656    HE3  LYS  86           2HE      LYS  86  -8.131   4.269  11.319
  657    HZ1  LYS  86           3HZ      LYS  86  -9.485   6.274  11.406
  658    HZ2  LYS  86           1HZ      LYS  86  -7.907   6.690  11.429
  659    HZ3  LYS  86           2HZ      LYS  86  -8.785   6.880  10.060
  660    H    ALA  87           H        ALA  87  -4.587   2.258   5.468
  661    HA   ALA  87           HA       ALA  87  -1.670   2.809   5.319
  662    HB1  ALA  87           1HB      ALA  87  -2.626   0.460   5.594
  663    HB2  ALA  87           2HB      ALA  87  -3.314   0.620   3.965
  664    HB3  ALA  87           3HB      ALA  87  -1.551   0.681   4.208
  665    H    ALA  88           H        ALA  88  -4.600   2.900   3.269
  666    HA   ALA  88           HA       ALA  88  -3.239   3.524   0.863
  667    HB1  ALA  88           1HB      ALA  88  -5.600   2.572   1.252
  668    HB2  ALA  88           2HB      ALA  88  -6.119   4.263   1.488
  669    HB3  ALA  88           3HB      ALA  88  -5.397   3.738  -0.044
  670    H    LYS  89           H        LYS  89  -4.728   5.799   3.253
  671    HA   LYS  89           HA       LYS  89  -3.986   8.157   1.714
  672    HB2  LYS  89           1HB      LYS  89  -4.729   7.710   4.622
  673    HB3  LYS  89           2HB      LYS  89  -4.400   9.305   3.921
  674    HG2  LYS  89           1HG      LYS  89  -6.200   9.000   2.269
  675    HG3  LYS  89           2HG      LYS  89  -6.571   7.397   2.928
  676    HD2  LYS  89           1HD      LYS  89  -7.148   8.377   5.099
  677    HD3  LYS  89           2HD      LYS  89  -6.747  10.001   4.521
  678    HE2  LYS  89           1HE      LYS  89  -8.896   8.203   3.302
  679    HE3  LYS  89           2HE      LYS  89  -9.216   9.417   4.544
  680    HZ1  LYS  89           3HZ      LYS  89  -9.663  10.308   2.357
  681    HZ2  LYS  89           1HZ      LYS  89  -8.400  11.118   3.000
  682    HZ3  LYS  89           2HZ      LYS  89  -8.149   9.992   1.836
  683    H    CYS  90           H        CYS  90  -2.291   6.202   4.107
  684    HA   CYS  90           HA       CYS  90   0.037   7.937   4.380
  685    HB2  CYS  90           1HB      CYS  90  -0.518   6.246   6.029
  686    HB3  CYS  90           2HB      CYS  90  -0.395   4.959   4.832
  687    H    ALA  91           H        ALA  91  -0.806   5.214   2.183
  688    HA   ALA  91           HA       ALA  91   1.560   5.241   0.645
  689    HB1  ALA  91           1HB      ALA  91  -0.173   3.468   0.647
  690    HB2  ALA  91           2HB      ALA  91  -1.266   4.548  -0.228
  691    HB3  ALA  91           3HB      ALA  91   0.239   4.018  -0.993
  692    H    LYS  92           H        LYS  92  -1.415   7.334   0.170
  693    HA   LYS  92           HA       LYS  92  -0.325   8.679  -2.102
  694    HB2  LYS  92           1HB      LYS  92  -2.062   9.992   0.008
  695    HB3  LYS  92           2HB      LYS  92  -1.882  10.445  -1.679
  696    HG2  LYS  92           1HG      LYS  92  -3.369   8.117  -0.489
  697    HG3  LYS  92           2HG      LYS  92  -4.000   9.441  -1.406
  698    HD2  LYS  92           1HD      LYS  92  -2.443   7.040  -2.403
  699    HD3  LYS  92           2HD      LYS  92  -4.112   7.443  -2.713
  700    HE2  LYS  92           1HE      LYS  92  -1.694   8.956  -3.813
  701    HE3  LYS  92           2HE      LYS  92  -2.687   7.799  -4.694
  702    HZ1  LYS  92           3HZ      LYS  92  -3.407   9.965  -5.264
  703    HZ2  LYS  92           1HZ      LYS  92  -4.596   9.333  -4.350
  704    HZ3  LYS  92           2HZ      LYS  92  -3.578  10.442  -3.702
  705    H    LYS  93           H        LYS  93   0.107   9.384   1.388
  706    HA   LYS  93           HA       LYS  93   1.758  11.706   0.961
  707    HB2  LYS  93           1HB      LYS  93   0.486  11.258   3.030
  708    HB3  LYS  93           2HB      LYS  93   1.516   9.876   3.380
  709    HG2  LYS  93           1HG      LYS  93   2.101  11.819   4.740
  710    HG3  LYS  93           2HG      LYS  93   3.454  11.340   3.720
  711    HD2  LYS  93           1HD      LYS  93   2.965  13.176   2.150
  712    HD3  LYS  93           2HD      LYS  93   1.541  13.644   3.087
  713    HE2  LYS  93           1HE      LYS  93   4.419  13.649   4.126
  714    HE3  LYS  93           2HE      LYS  93   3.611  15.053   3.420
  715    HZ1  LYS  93           3HZ      LYS  93   3.430  15.167   5.786
  716    HZ2  LYS  93           1HZ      LYS  93   1.931  14.866   5.213
  717    HZ3  LYS  93           2HZ      LYS  93   2.811  13.668   5.918
  718    H    ILE  94           H        ILE  94   2.553   8.287   0.941
  719    HA   ILE  94           HA       ILE  94   5.461   8.739   0.764
  720    HB   ILE  94           HB       ILE  94   3.735   6.342   0.029
  721   HG12  ILE  94          1HG1      ILE  94   5.624   6.709   2.370
  722   HG13  ILE  94          2HG1      ILE  94   3.919   7.034   2.511
  723   HG21  ILE  94          1HG2      ILE  94   5.806   6.327  -1.303
  724   HG22  ILE  94          2HG2      ILE  94   6.771   6.656   0.149
  725   HG23  ILE  94          3HG2      ILE  94   5.921   5.106  -0.044
  726   HD11  ILE  94          3HD1      ILE  94   4.320   4.843   3.385
  727   HD12  ILE  94          1HD1      ILE  94   3.418   4.661   1.873
  728   HD13  ILE  94          2HD1      ILE  94   5.166   4.325   1.920
  729    H    TYR  95           H        TYR  95   2.885   8.049  -1.664
  730    HA   TYR  95           HA       TYR  95   4.474   8.227  -3.950
  731    HB2  TYR  95           1HB      TYR  95   2.504   7.323  -4.443
  732    HB3  TYR  95           2HB      TYR  95   1.596   8.308  -3.311
  733    HD1  TYR  95           2HD      TYR  95   0.939  10.683  -3.930
  734    HD2  TYR  95           1HD      TYR  95   2.392   7.793  -6.779
  735    HE1  TYR  95           2HE      TYR  95  -0.058  12.008  -5.780
  736    HE2  TYR  95           1HE      TYR  95   1.450   9.145  -8.635
  737    HH   TYR  95           HH       TYR  95  -0.374  12.182  -8.055
  738    H    LYS  96           H        LYS  96   3.201  10.953  -2.069
  739    HA   LYS  96           HA       LYS  96   3.646  13.106  -3.776
  740    HB2  LYS  96           1HB      LYS  96   2.391  12.971  -1.650
  741    HB3  LYS  96           2HB      LYS  96   3.859  12.531  -0.791
  742    HG2  LYS  96           1HG      LYS  96   3.239  14.760  -0.303
  743    HG3  LYS  96           2HG      LYS  96   4.806  14.695  -1.104
  744    HD2  LYS  96           1HD      LYS  96   3.563  16.604  -1.955
  745    HD3  LYS  96           2HD      LYS  96   3.716  15.408  -3.250
  746    HE2  LYS  96           1HE      LYS  96   1.405  14.611  -2.795
  747    HE3  LYS  96           2HE      LYS  96   1.265  15.757  -1.456
  748    HZ1  LYS  96           3HZ      LYS  96   0.240  16.622  -3.474
  749    HZ2  LYS  96           1HZ      LYS  96   1.507  17.567  -3.064
  750    HZ3  LYS  96           2HZ      LYS  96   1.642  16.510  -4.305
  751    H    ARG  97           H        ARG  97   6.004  11.075  -2.131
  752    HA   ARG  97           HA       ARG  97   8.261  12.875  -2.963
  753    HB2  ARG  97           1HB      ARG  97   8.187  10.806  -0.728
  754    HB3  ARG  97           2HB      ARG  97   9.549  11.839  -1.151
  755    HG2  ARG  97           1HG      ARG  97   6.870  12.738   0.002
  756    HG3  ARG  97           2HG      ARG  97   8.417  12.670   0.843
  757    HD2  ARG  97           1HD      ARG  97   9.334  14.415  -0.651
  758    HD3  ARG  97           2HD      ARG  97   7.801  14.468  -1.534
  759    HE   ARG  97           HE       ARG  97   7.769  14.981   1.387
  760   HH11  ARG  97          1HH1      ARG  97   7.471  16.397  -1.848
  761   HH12  ARG  97          2HH1      ARG  97   6.799  17.877  -1.231
  762   HH21  ARG  97          1HH2      ARG  97   6.894  16.910   2.104
  763   HH22  ARG  97          2HH2      ARG  97   6.468  18.154   0.971
  764    H    HIS  98           H        HIS  98   7.066   9.565  -2.880
  765    HA   HIS  98           HA       HIS  98   8.972   8.689  -5.008
  766    HB2  HIS  98           1HB      HIS  98   8.414   7.334  -2.333
  767    HB3  HIS  98           2HB      HIS  98   9.298   6.602  -3.666
  768    HD2  HIS  98           2HD      HIS  98   9.787   8.754  -0.649
  769    HE1  HIS  98           1HE      HIS  98  13.448   9.036  -2.803
  770    HE2  HIS  98           2HE      HIS  98  12.297   9.545  -0.589
  771    H    ARG  99           H        ARG  99   7.079   8.964  -6.339
  772    HA   ARG  99           HA       ARG  99   4.573   8.241  -6.110
  773    HB2  ARG  99           1HB      ARG  99   4.252   7.904  -8.446
  774    HB3  ARG  99           2HB      ARG  99   5.166   9.344  -8.043
  775    HG2  ARG  99           1HG      ARG  99   6.572   6.782  -8.891
  776    HG3  ARG  99           2HG      ARG  99   5.871   7.874 -10.075
  777    HD2  ARG  99           1HD      ARG  99   7.260   9.668  -9.479
  778    HD3  ARG  99           2HD      ARG  99   7.755   8.972  -7.977
  779    HE   ARG  99           HE       ARG  99   9.229   7.521  -8.862
  780   HH11  ARG  99          1HH1      ARG  99   7.761   9.195 -11.627
  781   HH12  ARG  99          2HH1      ARG  99   8.962   8.573 -12.721
  782   HH21  ARG  99          1HH2      ARG  99  10.652   6.787 -10.219
  783   HH22  ARG  99          2HH2      ARG  99  10.632   7.200 -11.927
  784    H    PHE 100           H        PHE 100   6.945   5.841  -7.204
  785    HA   PHE 100           HA       PHE 100   5.379   3.658  -5.927
  786    HB2  PHE 100           1HB      PHE 100   6.637   3.415  -8.673
  787    HB3  PHE 100           2HB      PHE 100   5.736   2.192  -7.780
  788    HD1  PHE 100           1HD      PHE 100   3.264   2.921  -7.055
  789    HD2  PHE 100           2HD      PHE 100   5.486   4.541 -10.381
  790    HE1  PHE 100           1HE      PHE 100   1.153   3.606  -8.127
  791    HE2  PHE 100           2HE      PHE 100   3.358   5.228 -11.458
  792    HZ   PHE 100           HZ       PHE 100   1.193   4.756 -10.340
  793    H    ASP 101           H        ASP 101   8.307   5.285  -6.222
  794    HA   ASP 101           HA       ASP 101  10.201   3.225  -6.543
  795    HB2  ASP 101           1HB      ASP 101  10.829   5.876  -5.243
  796    HB3  ASP 101           2HB      ASP 101  11.796   4.937  -6.368
  797    H    ALA 102           H        ALA 102   8.499   4.166  -3.718
  798    HA   ALA 102           HA       ALA 102  10.458   3.264  -1.744
  799    HB1  ALA 102           1HB      ALA 102   8.822   5.053  -1.267
  800    HB2  ALA 102           2HB      ALA 102   7.484   3.909  -1.535
  801    HB3  ALA 102           3HB      ALA 102   8.597   3.678  -0.173
  802    H    TRP 103           H        TRP 103   8.410   1.583  -3.882
  803    HA   TRP 103           HA       TRP 103   8.181  -0.814  -2.083
  804    HB2  TRP 103           1HB      TRP 103   6.413   0.202  -4.329
  805    HB3  TRP 103           2HB      TRP 103   6.227  -1.349  -3.526
  806    HD1  TRP 103           HD       TRP 103   5.516  -1.339  -0.944
  807    HE1  TRP 103           1HE      TRP 103   4.011   0.234   0.358
  808    HE3  TRP 103           3HE      TRP 103   5.912   2.765  -3.947
  809    HZ2  TRP 103           2HZ      TRP 103   2.879   2.910  -0.003
  810    HZ3  TRP 103           3HZ      TRP 103   4.581   4.802  -3.489
  811    HH2  TRP 103           HH       TRP 103   3.010   4.862  -1.561
  812    H    TYR 104           H        TYR 104   9.429  -2.357  -2.489
  813    HA   TYR 104           HA       TYR 104  10.835  -3.029  -4.896
  814    HB2  TYR 104           1HB      TYR 104  11.623  -3.876  -2.844
  815    HB3  TYR 104           2HB      TYR 104  10.033  -4.408  -2.329
  816    HD1  TYR 104           1HD      TYR 104  12.722  -5.157  -4.836
  817    HD2  TYR 104           2HD      TYR 104   9.247  -6.558  -2.716
  818    HE1  TYR 104           1HE      TYR 104  13.155  -7.475  -5.669
  819    HE2  TYR 104           2HE      TYR 104   9.667  -8.879  -3.540
  820    HH   TYR 104           HH       TYR 104  11.048 -10.245  -4.779
  821    H    GLY 105           H        GLY 105   7.649  -4.015  -3.597
  822    HA2  GLY 105           1HA      GLY 105   7.070  -6.003  -5.568
  823    HA3  GLY 105           2HA      GLY 105   5.891  -5.207  -4.504
  824    H    TRP 106           H        TRP 106   7.211  -2.660  -6.086
  825    HA   TRP 106           HA       TRP 106   5.396  -2.849  -8.454
  826    HB2  TRP 106           1HB      TRP 106   5.098  -0.847  -7.203
  827    HB3  TRP 106           2HB      TRP 106   6.819  -0.522  -7.140
  828    HD1  TRP 106           HD       TRP 106   3.866  -0.455  -9.607
  829    HE1  TRP 106           1HE      TRP 106   4.491   0.963 -11.650
  830    HE3  TRP 106           3HE      TRP 106   8.694   0.597  -8.361
  831    HZ2  TRP 106           2HZ      TRP 106   6.848   2.360 -12.634
  832    HZ3  TRP 106           3HZ      TRP 106  10.153   1.868  -9.878
  833    HH2  TRP 106           HH       TRP 106   9.239   2.792 -12.025
  834    H    LYS 107           H        LYS 107   8.734  -1.656  -7.799
  835    HA   LYS 107           HA       LYS 107   9.530  -1.727 -10.483
  836    HB2  LYS 107           1HB      LYS 107  11.839  -1.470  -9.637
  837    HB3  LYS 107           2HB      LYS 107  10.695  -0.388  -8.858
  838    HG2  LYS 107           1HG      LYS 107  10.581  -1.960  -6.916
  839    HG3  LYS 107           2HG      LYS 107  11.817  -2.961  -7.692
  840    HD2  LYS 107           1HD      LYS 107  12.955  -1.663  -6.091
  841    HD3  LYS 107           2HD      LYS 107  13.329  -0.892  -7.642
  842    HE2  LYS 107           1HE      LYS 107  11.591   0.830  -7.211
  843    HE3  LYS 107           2HE      LYS 107  11.113  -0.002  -5.726
  844    HZ1  LYS 107           3HZ      LYS 107  12.558   1.810  -5.180
  845    HZ2  LYS 107           1HZ      LYS 107  13.374   0.432  -4.868
  846    HZ3  LYS 107           2HZ      LYS 107  13.734   1.302  -6.210
  847    H    ASN 108           H        ASN 108   9.579  -4.460  -8.255
  848    HA   ASN 108           HA       ASN 108  11.427  -6.071  -9.703
  849    HB2  ASN 108           1HB      ASN 108  10.797  -6.371  -7.336
  850    HB3  ASN 108           2HB      ASN 108   9.172  -6.864  -7.818
  851   HD21  ASN 108          2HD2      ASN 108   8.888  -9.074  -7.917
  852   HD22  ASN 108          1HD2      ASN 108  10.184 -10.228  -8.185
  853    H    HIS 109           H        HIS 109   8.064  -5.409 -10.467
  854    HA   HIS 109           HA       HIS 109   8.201  -7.346 -12.701
  855    HB2  HIS 109           1HB      HIS 109   6.498  -8.754 -12.059
  856    HB3  HIS 109           2HB      HIS 109   7.391  -8.532 -10.561
  857    HD2  HIS 109           2HD      HIS 109   6.076  -5.872  -9.439
  858    HE1  HIS 109           1HE      HIS 109   2.425  -8.033  -9.640
  859    HE2  HIS 109           2HE      HIS 109   3.598  -6.029  -8.603
  860    H    CYS 110           H        CYS 110   6.618  -4.494 -11.391
  861    HA   CYS 110           HA       CYS 110   4.556  -4.252 -13.368
  862    HB2  CYS 110           1HB      CYS 110   5.993  -2.198 -11.645
  863    HB3  CYS 110           2HB      CYS 110   4.580  -1.843 -12.613
  864    H    GLN 111           H        GLN 111   7.982  -3.615 -13.636
  865    HA   GLN 111           HA       GLN 111   7.767  -1.914 -15.987
  866    HB2  GLN 111           1HB      GLN 111  10.105  -2.055 -16.161
  867    HB3  GLN 111           2HB      GLN 111   9.694  -1.862 -14.460
  868    HG2  GLN 111           1HG      GLN 111  10.082  -4.332 -14.128
  869    HG3  GLN 111           2HG      GLN 111  10.538  -4.467 -15.834
  870   HE21  GLN 111          2HE2      GLN 111  11.441  -3.013 -12.711
  871   HE22  GLN 111          1HE2      GLN 111  13.108  -2.659 -13.170
  872    H    GLY 112           H        GLY 112   7.431  -5.327 -15.510
  873    HA2  GLY 112           1HA      GLY 112   8.022  -6.046 -18.334
  874    HA3  GLY 112           2HA      GLY 112   7.595  -7.141 -16.996
  875    H    SER 113           H        SER 113   5.289  -6.345 -16.003
  876    HA   SER 113           HA       SER 113   3.284  -5.941 -18.159
  877    HB2  SER 113           1HB      SER 113   3.520  -8.486 -16.501
  878    HB3  SER 113           2HB      SER 113   2.112  -8.039 -17.473
  879    HG   SER 113           HG       SER 113   3.532  -9.481 -18.585
  880    H    LEU 114           H        LEU 114   1.391  -5.059 -17.427
  881    HA   LEU 114           HA       LEU 114   0.813  -5.036 -14.502
  882    HB2  LEU 114           1HB      LEU 114   0.101  -3.072 -16.722
  883    HB3  LEU 114           2HB      LEU 114  -0.563  -3.002 -15.096
  884    HG   LEU 114           HG       LEU 114   2.412  -2.751 -15.731
  885   HD11  LEU 114          1HD1      LEU 114   1.060  -0.911 -16.666
  886   HD12  LEU 114          2HD1      LEU 114   0.354  -0.611 -15.056
  887   HD13  LEU 114          3HD1      LEU 114   2.095  -0.363 -15.334
  888   HD21  LEU 114          3HD2      LEU 114   2.471  -1.803 -13.386
  889   HD22  LEU 114          1HD2      LEU 114   0.802  -2.361 -13.165
  890   HD23  LEU 114          2HD2      LEU 114   2.111  -3.531 -13.451
  891    HA   PRO 115           HA       PRO 115  -2.891  -7.311 -15.581
  892    HB2  PRO 115           1HB      PRO 115  -4.494  -6.821 -13.451
  893    HB3  PRO 115           2HB      PRO 115  -2.980  -7.772 -13.293
  894    HG2  PRO 115           1HG      PRO 115  -3.405  -4.822 -12.698
  895    HG3  PRO 115           2HG      PRO 115  -2.623  -6.060 -11.659
  896    HD2  PRO 115           1HD      PRO 115  -1.188  -4.393 -13.287
  897    HD3  PRO 115           2HD      PRO 115  -0.686  -6.089 -12.990
  898    H    ASP 116           H        ASP 116  -5.138  -7.002 -16.176
  899    HA   ASP 116           HA       ASP 116  -5.801  -4.318 -17.160
  900    HB2  ASP 116           1HB      ASP 116  -6.209  -6.299 -18.549
  901    HB3  ASP 116           2HB      ASP 116  -7.284  -6.964 -17.315
  902    H    ILE 117           H        ILE 117  -7.589  -3.170 -16.635
  903    HA   ILE 117           HA       ILE 117  -9.108  -3.747 -14.125
  904    HB   ILE 117           HB       ILE 117  -8.911  -1.388 -13.466
  905   HG12  ILE 117          1HG1      ILE 117  -6.803  -1.111 -15.663
  906   HG13  ILE 117          2HG1      ILE 117  -8.455  -0.513 -15.805
  907   HG21  ILE 117          1HG2      ILE 117  -7.375  -3.124 -12.535
  908   HG22  ILE 117          2HG2      ILE 117  -6.157  -2.667 -13.738
  909   HG23  ILE 117          3HG2      ILE 117  -6.686  -1.499 -12.510
  910   HD11  ILE 117          3HD1      ILE 117  -7.016   1.294 -15.193
  911   HD12  ILE 117          1HD1      ILE 117  -8.105   0.937 -13.833
  912   HD13  ILE 117          2HD1      ILE 117  -6.404   0.397 -13.790
  913    H    SER 118           H        SER 118  -9.336  -3.032 -17.434
  914    HA   SER 118           HA       SER 118 -11.485  -1.135 -17.390
  915    HB2  SER 118           1HB      SER 118 -10.626  -3.113 -19.528
  916    HB3  SER 118           2HB      SER 118 -11.776  -1.785 -19.766
  917    HG   SER 118           HG       SER 118  -9.597  -1.233 -20.378
  918    H    SER 119           H        SER 119 -11.605  -4.416 -16.497
  919    HA   SER 119           HA       SER 119 -14.477  -4.811 -17.048
  920    HB2  SER 119           1HB      SER 119 -14.043  -6.917 -15.756
  921    HB3  SER 119           2HB      SER 119 -13.054  -6.728 -17.214
  922    HG   SER 119           HG       SER 119 -11.815  -7.434 -15.388
  923    H    CYS 120           H        CYS 120 -12.653  -3.155 -14.688
  924    HA   CYS 120           HA       CYS 120 -14.445  -3.727 -12.415
  925    HB2  CYS 120           1HB      CYS 120 -11.974  -1.989 -12.585
  926    HB3  CYS 120           2HB      CYS 120 -12.771  -2.548 -11.120
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  -8.291  -8.700  10.475
    2    H2   GLY   1           2H       GLY   1  -6.841  -9.186   9.868
    3    H3   GLY   1           3H       GLY   1  -6.970  -7.724  10.604
    4    HA2  GLY   1           1HA      GLY   1  -8.349  -6.856   8.886
    5    HA3  GLY   1           2HA      GLY   1  -6.833  -7.495   8.225
    6    H    LYS   2           H        LYS   2  -7.783  -7.744   6.200
    7    HA   LYS   2           HA       LYS   2  -9.266 -10.205   5.675
    8    HB2  LYS   2           1HB      LYS   2 -11.179  -9.130   4.652
    9    HB3  LYS   2           2HB      LYS   2 -11.050  -8.593   6.326
   10    HG2  LYS   2           1HG      LYS   2 -10.009  -6.465   5.589
   11    HG3  LYS   2           2HG      LYS   2 -10.110  -6.987   3.905
   12    HD2  LYS   2           1HD      LYS   2 -12.518  -6.596   5.721
   13    HD3  LYS   2           2HD      LYS   2 -11.882  -5.391   4.591
   14    HE2  LYS   2           1HE      LYS   2 -12.229  -6.958   2.695
   15    HE3  LYS   2           2HE      LYS   2 -12.930  -8.144   3.807
   16    HZ1  LYS   2           3HZ      LYS   2 -14.647  -6.830   2.712
   17    HZ2  LYS   2           1HZ      LYS   2 -14.679  -6.533   4.318
   18    HZ3  LYS   2           2HZ      LYS   2 -14.029  -5.434   3.295
   19    H    THR   3           H        THR   3  -9.565 -10.591   3.358
   20    HA   THR   3           HA       THR   3  -7.457  -9.298   1.689
   21    HB   THR   3           HB       THR   3  -8.636 -12.041   1.204
   22    HG1  THR   3           1HG      THR   3  -6.828 -12.815   2.298
   23   HG21  THR   3          3HG2      THR   3  -6.459 -12.313  -0.016
   24   HG22  THR   3          1HG2      THR   3  -7.432 -11.002  -0.698
   25   HG23  THR   3          2HG2      THR   3  -6.059 -10.621   0.361
   26    H    PHE   4           H        PHE   4  -7.950  -8.322  -0.102
   27    HA   PHE   4           HA       PHE   4 -10.774  -8.118  -1.008
   28    HB2  PHE   4           1HB      PHE   4  -8.288  -6.442  -1.529
   29    HB3  PHE   4           2HB      PHE   4  -9.818  -6.132  -2.297
   30    HD1  PHE   4           1HD      PHE   4  -8.164  -6.305   1.082
   31    HD2  PHE   4           2HD      PHE   4 -11.481  -4.776  -1.226
   32    HE1  PHE   4           1HE      PHE   4  -8.930  -4.993   3.034
   33    HE2  PHE   4           2HE      PHE   4 -12.243  -3.490   0.739
   34    HZ   PHE   4           HZ       PHE   4 -10.981  -3.598   2.879
   35    H    THR   5           H        THR   5 -11.243  -8.187  -3.229
   36    HA   THR   5           HA       THR   5  -9.497  -9.909  -4.948
   37    HB   THR   5           HB       THR   5 -11.828 -10.668  -4.655
   38    HG1  THR   5           1HG      THR   5 -12.017 -11.045  -6.862
   39   HG21  THR   5          3HG2      THR   5 -13.663  -9.550  -5.762
   40   HG22  THR   5          1HG2      THR   5 -12.968  -8.402  -4.610
   41   HG23  THR   5          2HG2      THR   5 -12.611  -8.253  -6.350
   42    H    ARG   6           H        ARG   6  -9.292  -9.127  -7.279
   43    HA   ARG   6           HA       ARG   6  -8.044  -6.588  -7.207
   44    HB2  ARG   6           1HB      ARG   6  -7.542  -8.410  -8.823
   45    HB3  ARG   6           2HB      ARG   6  -9.020  -8.017  -9.710
   46    HG2  ARG   6           1HG      ARG   6  -8.180  -5.732 -10.144
   47    HG3  ARG   6           2HG      ARG   6  -6.741  -6.042  -9.161
   48    HD2  ARG   6           1HD      ARG   6  -7.486  -7.533 -11.709
   49    HD3  ARG   6           2HD      ARG   6  -6.350  -6.182 -11.618
   50    HE   ARG   6           HE       ARG   6  -5.147  -7.725  -9.849
   51   HH11  ARG   6          1HH1      ARG   6  -6.683  -9.015 -12.782
   52   HH12  ARG   6          2HH1      ARG   6  -5.553 -10.331 -12.877
   53   HH21  ARG   6          1HH2      ARG   6  -3.656  -9.275 -10.143
   54   HH22  ARG   6          2HH2      ARG   6  -3.866 -10.503 -11.374
   55    H    CYS   7           H        CYS   7 -11.273  -7.393  -8.591
   56    HA   CYS   7           HA       CYS   7 -11.963  -4.718  -9.348
   57    HB2  CYS   7           1HB      CYS   7 -13.120  -6.779 -10.106
   58    HB3  CYS   7           2HB      CYS   7 -13.785  -6.999  -8.488
   59    H    GLY   8           H        GLY   8 -12.378  -6.379  -6.221
   60    HA2  GLY   8           1HA      GLY   8 -13.834  -4.274  -4.893
   61    HA3  GLY   8           2HA      GLY   8 -12.894  -5.570  -4.112
   62    H    LEU   9           H        LEU   9 -10.317  -5.054  -5.035
   63    HA   LEU   9           HA       LEU   9  -9.420  -2.821  -3.511
   64    HB2  LEU   9           1HB      LEU   9  -8.138  -4.908  -3.980
   65    HB3  LEU   9           2HB      LEU   9  -8.038  -4.473  -5.687
   66    HG   LEU   9           HG       LEU   9  -6.780  -2.427  -5.089
   67   HD11  LEU   9          1HD1      LEU   9  -7.574  -1.948  -2.855
   68   HD12  LEU   9          2HD1      LEU   9  -7.011  -3.524  -2.266
   69   HD13  LEU   9          3HD1      LEU   9  -5.839  -2.263  -2.748
   70   HD21  LEU   9          3HD2      LEU   9  -4.690  -3.515  -4.599
   71   HD22  LEU   9          1HD2      LEU   9  -5.523  -4.911  -3.875
   72   HD23  LEU   9          2HD2      LEU   9  -5.638  -4.601  -5.623
   73    H    VAL  10           H        VAL  10  -9.673  -3.181  -7.099
   74    HA   VAL  10           HA       VAL  10  -8.869  -0.597  -7.862
   75    HB   VAL  10           HB       VAL  10 -11.025  -2.408  -9.015
   76   HG11  VAL  10          1HG1      VAL  10 -11.739  -0.244  -9.762
   77   HG12  VAL  10          2HG1      VAL  10 -10.084   0.266 -10.106
   78   HG13  VAL  10          3HG1      VAL  10 -10.863  -0.970 -11.107
   79   HG21  VAL  10          3HG2      VAL  10  -9.420  -2.821 -10.791
   80   HG22  VAL  10          1HG2      VAL  10  -8.282  -1.648 -10.096
   81   HG23  VAL  10          2HG2      VAL  10  -8.643  -3.152  -9.242
   82    H    HIS  11           H        HIS  11 -12.111  -1.627  -6.763
   83    HA   HIS  11           HA       HIS  11 -13.330   0.989  -6.892
   84    HB2  HIS  11           1HB      HIS  11 -14.079  -1.551  -5.401
   85    HB3  HIS  11           2HB      HIS  11 -15.067  -0.104  -5.426
   86    HD2  HIS  11           2HD      HIS  11 -13.712  -0.392  -8.866
   87    HE1  HIS  11           1HE      HIS  11 -17.381  -2.546  -8.963
   88    HE2  HIS  11           2HE      HIS  11 -15.573  -1.482 -10.391
   89    H    GLU  12           H        GLU  12 -11.876  -0.795  -4.136
   90    HA   GLU  12           HA       GLU  12 -12.528   1.115  -2.132
   91    HB2  GLU  12           1HB      GLU  12 -11.501  -1.383  -2.107
   92    HB3  GLU  12           2HB      GLU  12  -9.999  -0.509  -1.931
   93    HG2  GLU  12           1HG      GLU  12 -10.926  -1.200   0.219
   94    HG3  GLU  12           2HG      GLU  12 -10.895   0.568   0.111
   95    H    LEU  13           H        LEU  13  -9.663   0.866  -4.245
   96    HA   LEU  13           HA       LEU  13  -8.338   3.204  -3.135
   97    HB2  LEU  13           1HB      LEU  13  -8.047   1.763  -5.784
   98    HB3  LEU  13           2HB      LEU  13  -6.889   2.922  -5.141
   99    HG   LEU  13           HG       LEU  13  -7.580   0.287  -3.833
  100   HD11  LEU  13          1HD1      LEU  13  -6.437  -0.020  -5.963
  101   HD12  LEU  13          2HD1      LEU  13  -5.183   1.154  -5.484
  102   HD13  LEU  13          3HD1      LEU  13  -5.328  -0.400  -4.628
  103   HD21  LEU  13          3HD2      LEU  13  -5.615   0.665  -2.438
  104   HD22  LEU  13          1HD2      LEU  13  -5.385   2.279  -3.176
  105   HD23  LEU  13          2HD2      LEU  13  -6.817   1.931  -2.178
  106    H    ARG  14           H        ARG  14 -10.482   2.715  -5.950
  107    HA   ARG  14           HA       ARG  14 -10.443   5.415  -6.914
  108    HB2  ARG  14           1HB      ARG  14 -12.557   3.252  -6.995
  109    HB3  ARG  14           2HB      ARG  14 -12.878   4.862  -7.634
  110    HG2  ARG  14           1HG      ARG  14 -11.177   4.701  -9.294
  111    HG3  ARG  14           2HG      ARG  14 -10.502   3.230  -8.573
  112    HD2  ARG  14           1HD      ARG  14 -12.507   1.972  -9.064
  113    HD3  ARG  14           2HD      ARG  14 -13.324   3.427  -9.688
  114    HE   ARG  14           HE       ARG  14 -10.945   3.044 -11.164
  115   HH11  ARG  14          1HH1      ARG  14 -14.111   1.478 -10.789
  116   HH12  ARG  14          2HH1      ARG  14 -13.948   0.610 -12.302
  117   HH21  ARG  14          1HH2      ARG  14 -10.901   1.913 -13.180
  118   HH22  ARG  14          2HH2      ARG  14 -12.243   0.875 -13.587
  119    H    LYS  15           H        LYS  15 -12.430   3.969  -4.286
  120    HA   LYS  15           HA       LYS  15 -13.836   6.400  -3.573
  121    HB2  LYS  15           1HB      LYS  15 -13.113   3.885  -2.020
  122    HB3  LYS  15           2HB      LYS  15 -14.114   5.177  -1.368
  123    HG2  LYS  15           1HG      LYS  15 -15.886   4.765  -2.905
  124    HG3  LYS  15           2HG      LYS  15 -14.872   3.771  -3.954
  125    HD2  LYS  15           1HD      LYS  15 -16.356   2.328  -2.674
  126    HD3  LYS  15           2HD      LYS  15 -14.676   2.051  -2.205
  127    HE2  LYS  15           1HE      LYS  15 -15.086   3.665  -0.246
  128    HE3  LYS  15           2HE      LYS  15 -16.804   3.608  -0.670
  129    HZ1  LYS  15           3HZ      LYS  15 -16.297   1.980   1.025
  130    HZ2  LYS  15           1HZ      LYS  15 -16.647   1.152  -0.344
  131    HZ3  LYS  15           2HZ      LYS  15 -15.083   1.328   0.148
  132    H    HIS  16           H        HIS  16 -10.706   5.055  -2.573
  133    HA   HIS  16           HA       HIS  16 -10.280   7.116  -0.555
  134    HB2  HIS  16           1HB      HIS  16  -8.621   4.734  -1.468
  135    HB3  HIS  16           2HB      HIS  16  -8.210   5.797  -0.121
  136    HD2  HIS  16           2HD      HIS  16  -8.396   3.130   0.941
  137    HE1  HIS  16           1HE      HIS  16 -12.516   3.557   1.838
  138    HE2  HIS  16           2HE      HIS  16 -10.447   2.221   2.356
  139    H    GLY  17           H        GLY  17  -9.939   7.443  -3.781
  140    HA2  GLY  17           1HA      GLY  17  -9.226   9.447  -4.763
  141    HA3  GLY  17           2HA      GLY  17  -8.180   9.786  -3.366
  142    H    PHE  18           H        PHE  18  -8.123   6.781  -5.288
  143    HA   PHE  18           HA       PHE  18  -5.378   7.416  -6.266
  144    HB2  PHE  18           1HB      PHE  18  -6.968   4.868  -6.067
  145    HB3  PHE  18           2HB      PHE  18  -5.420   4.980  -6.878
  146    HD1  PHE  18           2HD      PHE  18  -6.933   5.821  -3.485
  147    HD2  PHE  18           1HD      PHE  18  -3.529   4.368  -5.679
  148    HE1  PHE  18           2HE      PHE  18  -5.732   5.499  -1.387
  149    HE2  PHE  18           1HE      PHE  18  -2.331   3.965  -3.545
  150    HZ   PHE  18           HZ       PHE  18  -3.424   4.523  -1.389
  151    H    GLU  19           H        GLU  19  -4.977   7.649  -8.452
  152    HA   GLU  19           HA       GLU  19  -7.237   8.428 -10.081
  153    HB2  GLU  19           1HB      GLU  19  -4.303   8.203 -10.832
  154    HB3  GLU  19           2HB      GLU  19  -5.557   9.043 -11.745
  155    HG2  GLU  19           1HG      GLU  19  -4.549   9.816  -8.981
  156    HG3  GLU  19           2HG      GLU  19  -4.127  10.586 -10.503
  157    H    GLU  20           H        GLU  20  -8.143   7.468 -11.858
  158    HA   GLU  20           HA       GLU  20  -8.056   4.672 -12.100
  159    HB2  GLU  20           1HB      GLU  20  -9.522   4.919 -13.999
  160    HB3  GLU  20           2HB      GLU  20  -9.985   6.022 -12.705
  161    HG2  GLU  20           1HG      GLU  20  -8.848   7.897 -13.931
  162    HG3  GLU  20           2HG      GLU  20  -8.451   6.778 -15.238
  163    H    ASN  21           H        ASN  21  -6.016   7.018 -13.780
  164    HA   ASN  21           HA       ASN  21  -5.046   5.048 -15.721
  165    HB2  ASN  21           1HB      ASN  21  -3.709   6.776 -16.592
  166    HB3  ASN  21           2HB      ASN  21  -5.282   7.485 -16.257
  167   HD21  ASN  21          2HD2      ASN  21  -2.327   8.547 -16.386
  168   HD22  ASN  21          1HD2      ASN  21  -2.218   9.503 -14.918
  169    H    LEU  22           H        LEU  22  -4.253   5.889 -12.455
  170    HA   LEU  22           HA       LEU  22  -1.585   4.540 -12.605
  171    HB2  LEU  22           1HB      LEU  22  -2.948   5.993 -10.306
  172    HB3  LEU  22           2HB      LEU  22  -1.312   5.337 -10.309
  173    HG   LEU  22           HG       LEU  22  -2.323   7.674 -11.960
  174   HD11  LEU  22          1HD1      LEU  22  -1.999   8.146  -9.562
  175   HD12  LEU  22          2HD1      LEU  22  -0.339   7.516  -9.656
  176   HD13  LEU  22          3HD1      LEU  22  -0.790   8.988 -10.546
  177   HD21  LEU  22          3HD2      LEU  22   0.042   8.003 -12.648
  178   HD22  LEU  22          1HD2      LEU  22   0.472   6.456 -11.892
  179   HD23  LEU  22          2HD2      LEU  22  -0.626   6.502 -13.291
  180    H    MET  23           H        MET  23  -4.870   3.959 -11.677
  181    HA   MET  23           HA       MET  23  -4.808   2.193  -9.640
  182    HB2  MET  23           1HB      MET  23  -6.742   3.128 -11.033
  183    HB3  MET  23           2HB      MET  23  -6.531   1.772 -12.104
  184    HG2  MET  23           1HG      MET  23  -8.342   1.374 -10.459
  185    HG3  MET  23           2HG      MET  23  -7.043   0.209 -10.231
  186    HE1  MET  23           3HE      MET  23  -8.105   3.820  -7.603
  187    HE2  MET  23           1HE      MET  23  -6.840   4.077  -8.830
  188    HE3  MET  23           2HE      MET  23  -8.469   3.579  -9.317
  189    H    ARG  24           H        ARG  24  -4.216   1.135 -13.043
  190    HA   ARG  24           HA       ARG  24  -3.791  -1.602 -12.561
  191    HB2  ARG  24           1HB      ARG  24  -2.382   0.192 -14.593
  192    HB3  ARG  24           2HB      ARG  24  -2.442  -1.575 -14.622
  193    HG2  ARG  24           1HG      ARG  24  -4.943  -1.453 -14.775
  194    HG3  ARG  24           2HG      ARG  24  -4.813   0.312 -14.889
  195    HD2  ARG  24           1HD      ARG  24  -5.049  -0.493 -17.112
  196    HD3  ARG  24           2HD      ARG  24  -3.360   0.018 -16.925
  197    HE   ARG  24           HE       ARG  24  -3.762  -2.796 -16.315
  198   HH11  ARG  24          1HH1      ARG  24  -3.409  -0.640 -19.102
  199   HH12  ARG  24          2HH1      ARG  24  -2.823  -1.915 -20.126
  200   HH21  ARG  24          1HH2      ARG  24  -2.937  -4.382 -17.682
  201   HH22  ARG  24          2HH2      ARG  24  -2.593  -4.002 -19.338
  202    H    ASN  25           H        ASN  25  -1.370   1.053 -12.338
  203    HA   ASN  25           HA       ASN  25   0.862  -0.662 -11.616
  204    HB2  ASN  25           1HB      ASN  25   0.355   2.330 -11.336
  205    HB3  ASN  25           2HB      ASN  25   1.783   1.547 -10.684
  206   HD21  ASN  25          2HD2      ASN  25   0.284   2.698 -13.641
  207   HD22  ASN  25          1HD2      ASN  25   1.632   2.262 -14.671
  208    H    TRP  26           H        TRP  26  -1.517   1.260  -9.706
  209    HA   TRP  26           HA       TRP  26  -0.384   0.652  -7.171
  210    HB2  TRP  26           1HB      TRP  26  -3.110   1.606  -8.082
  211    HB3  TRP  26           2HB      TRP  26  -2.779   1.253  -6.395
  212    HD1  TRP  26           HD       TRP  26  -2.679   4.071  -8.677
  213    HE1  TRP  26           1HE      TRP  26  -1.425   6.049  -7.638
  214    HE3  TRP  26           3HE      TRP  26  -0.234   1.594  -4.918
  215    HZ2  TRP  26           2HZ      TRP  26   0.221   6.538  -5.312
  216    HZ3  TRP  26           3HZ      TRP  26   1.160   2.845  -3.296
  217    HH2  TRP  26           HH       TRP  26   1.372   5.314  -3.460
  218    H    VAL  27           H        VAL  27  -3.184  -0.994  -8.810
  219    HA   VAL  27           HA       VAL  27  -3.434  -2.862  -6.641
  220    HB   VAL  27           HB       VAL  27  -4.848  -4.245  -7.925
  221   HG11  VAL  27          1HG1      VAL  27  -5.677  -2.040  -7.101
  222   HG12  VAL  27          2HG1      VAL  27  -5.455  -1.386  -8.734
  223   HG13  VAL  27          3HG1      VAL  27  -6.588  -2.717  -8.456
  224   HG21  VAL  27          3HG2      VAL  27  -5.340  -3.864 -10.332
  225   HG22  VAL  27          1HG2      VAL  27  -3.952  -2.755 -10.415
  226   HG23  VAL  27          2HG2      VAL  27  -3.709  -4.474 -10.027
  227    H    CYS  28           H        CYS  28  -1.413  -3.008  -9.589
  228    HA   CYS  28           HA       CYS  28  -0.575  -5.736  -9.160
  229    HB2  CYS  28           1HB      CYS  28  -0.508  -4.265 -11.254
  230    HB3  CYS  28           2HB      CYS  28   0.994  -3.597 -10.622
  231    H    LEU  29           H        LEU  29   0.917  -2.596  -8.259
  232    HA   LEU  29           HA       LEU  29   3.139  -3.543  -6.776
  233    HB2  LEU  29           1HB      LEU  29   2.756  -1.248  -7.483
  234    HB3  LEU  29           2HB      LEU  29   1.357  -1.082  -6.440
  235    HG   LEU  29           HG       LEU  29   4.185  -1.531  -5.397
  236   HD11  LEU  29          1HD1      LEU  29   3.975   0.573  -6.742
  237   HD12  LEU  29          2HD1      LEU  29   2.610   1.068  -5.719
  238   HD13  LEU  29          3HD1      LEU  29   4.237   0.897  -5.029
  239   HD21  LEU  29          3HD2      LEU  29   3.212  -0.439  -3.320
  240   HD22  LEU  29          1HD2      LEU  29   1.602  -0.607  -4.045
  241   HD23  LEU  29          2HD2      LEU  29   2.574  -2.041  -3.641
  242    H    VAL  30           H        VAL  30  -0.172  -2.782  -5.567
  243    HA   VAL  30           HA       VAL  30   0.254  -3.717  -2.929
  244    HB   VAL  30           HB       VAL  30  -2.245  -3.441  -4.612
  245   HG11  VAL  30          1HG1      VAL  30  -2.859  -5.198  -3.075
  246   HG12  VAL  30          2HG1      VAL  30  -2.082  -4.353  -1.722
  247   HG13  VAL  30          3HG1      VAL  30  -3.553  -3.694  -2.482
  248   HG21  VAL  30          3HG2      VAL  30  -2.662  -1.521  -3.153
  249   HG22  VAL  30          1HG2      VAL  30  -1.245  -1.924  -2.157
  250   HG23  VAL  30          2HG2      VAL  30  -1.031  -1.381  -3.828
  251    H    GLU  31           H        GLU  31  -0.883  -5.592  -5.792
  252    HA   GLU  31           HA       GLU  31  -1.256  -8.052  -4.392
  253    HB2  GLU  31           1HB      GLU  31  -0.678  -7.379  -7.292
  254    HB3  GLU  31           2HB      GLU  31  -0.818  -9.055  -6.737
  255    HG2  GLU  31           1HG      GLU  31  -3.053  -8.761  -5.994
  256    HG3  GLU  31           2HG      GLU  31  -3.004  -7.010  -6.200
  257    H    HIS  32           H        HIS  32   1.710  -6.754  -5.943
  258    HA   HIS  32           HA       HIS  32   3.243  -9.114  -5.166
  259    HB2  HIS  32           1HB      HIS  32   3.828  -6.487  -6.525
  260    HB3  HIS  32           2HB      HIS  32   5.119  -7.622  -6.099
  261    HD2  HIS  32           2HD      HIS  32   4.475 -10.328  -6.993
  262    HE1  HIS  32           1HE      HIS  32   2.882  -8.848 -10.652
  263    HE2  HIS  32           2HE      HIS  32   3.757 -10.923  -9.451
  264    H    GLU  33           H        GLU  33   2.524  -6.139  -3.516
  265    HA   GLU  33           HA       GLU  33   4.749  -6.493  -1.585
  266    HB2  GLU  33           1HB      GLU  33   2.510  -4.456  -1.815
  267    HB3  GLU  33           2HB      GLU  33   3.613  -4.518  -0.449
  268    HG2  GLU  33           1HG      GLU  33   4.439  -4.085  -3.347
  269    HG3  GLU  33           2HG      GLU  33   4.285  -2.840  -2.114
  270    H    SER  34           H        SER  34   1.116  -6.431  -1.332
  271    HA   SER  34           HA       SER  34   1.366  -8.013   1.209
  272    HB2  SER  34           1HB      SER  34  -0.735  -5.928   0.617
  273    HB3  SER  34           2HB      SER  34  -0.342  -6.698   2.165
  274    HG   SER  34           HG       SER  34   1.022  -4.699   0.740
  275    H    SER  35           H        SER  35   0.363  -8.467  -1.879
  276    HA   SER  35           HA       SER  35  -1.082  -9.846  -2.933
  277    HB2  SER  35           1HB      SER  35  -1.550 -11.253  -0.311
  278    HB3  SER  35           2HB      SER  35  -1.625 -11.913  -1.950
  279    HG   SER  35           HG       SER  35   0.682 -11.559  -2.091
  280    H    ARG  36           H        ARG  36  -2.253  -7.461  -1.595
  281    HA   ARG  36           HA       ARG  36  -4.225  -6.430  -1.341
  282    HB2  ARG  36           1HB      ARG  36  -5.798  -8.832  -2.294
  283    HB3  ARG  36           2HB      ARG  36  -6.199  -7.120  -2.401
  284    HG2  ARG  36           1HG      ARG  36  -4.189  -6.906  -3.999
  285    HG3  ARG  36           2HG      ARG  36  -4.159  -8.660  -4.039
  286    HD2  ARG  36           1HD      ARG  36  -6.629  -7.028  -4.748
  287    HD3  ARG  36           2HD      ARG  36  -5.460  -7.600  -5.928
  288    HE   ARG  36           HE       ARG  36  -7.104  -9.343  -4.127
  289   HH11  ARG  36          1HH1      ARG  36  -5.509  -9.018  -7.319
  290   HH12  ARG  36          2HH1      ARG  36  -5.957 -10.644  -7.747
  291   HH21  ARG  36          1HH2      ARG  36  -7.559 -11.396  -4.769
  292   HH22  ARG  36          2HH2      ARG  36  -7.136 -11.943  -6.362
  293    H    ASP  37           H        ASP  37  -3.114  -8.118   0.811
  294    HA   ASP  37           HA       ASP  37  -5.544  -8.711   2.468
  295    HB2  ASP  37           1HB      ASP  37  -4.272 -10.728   1.896
  296    HB3  ASP  37           2HB      ASP  37  -2.795  -9.978   2.494
  297    H    THR  38           H        THR  38  -5.855  -7.303   4.070
  298    HA   THR  38           HA       THR  38  -3.827  -5.358   4.815
  299    HB   THR  38           HB       THR  38  -5.346  -4.627   6.605
  300    HG1  THR  38           1HG      THR  38  -7.333  -5.528   6.779
  301   HG21  THR  38          3HG2      THR  38  -7.201  -3.841   5.206
  302   HG22  THR  38          1HG2      THR  38  -5.648  -3.667   4.380
  303   HG23  THR  38          2HG2      THR  38  -6.756  -4.995   3.936
  304    H    SER  39           H        SER  39  -4.620  -8.552   6.074
  305    HA   SER  39           HA       SER  39  -3.362  -8.152   8.660
  306    HB2  SER  39           1HB      SER  39  -4.025 -10.689   7.125
  307    HB3  SER  39           2HB      SER  39  -3.570 -10.596   8.823
  308    HG   SER  39           HG       SER  39  -5.875 -10.738   8.364
  309    H    LYS  40           H        LYS  40  -1.912  -8.397   5.567
  310    HA   LYS  40           HA       LYS  40   0.158 -10.269   6.254
  311    HB2  LYS  40           1HB      LYS  40  -0.754  -9.822   3.950
  312    HB3  LYS  40           2HB      LYS  40   0.140  -8.304   3.936
  313    HG2  LYS  40           1HG      LYS  40   2.227  -9.323   3.852
  314    HG3  LYS  40           2HG      LYS  40   1.686 -10.789   4.650
  315    HD2  LYS  40           1HD      LYS  40   1.064 -10.098   1.763
  316    HD3  LYS  40           2HD      LYS  40   2.329 -11.185   2.335
  317    HE2  LYS  40           1HE      LYS  40   0.483 -12.528   3.502
  318    HE3  LYS  40           2HE      LYS  40  -0.685 -11.534   2.618
  319    HZ1  LYS  40           3HZ      LYS  40  -0.222 -13.564   1.408
  320    HZ2  LYS  40           1HZ      LYS  40   0.386 -12.312   0.540
  321    HZ3  LYS  40           2HZ      LYS  40   1.386 -13.279   1.399
  322    H    THR  41           H        THR  41   2.169 -10.058   6.932
  323    HA   THR  41           HA       THR  41   3.487  -7.435   7.337
  324    HB   THR  41           HB       THR  41   4.294  -8.357   9.592
  325    HG1  THR  41           1HG      THR  41   2.885  -9.879  10.549
  326   HG21  THR  41          3HG2      THR  41   2.347  -7.633  10.881
  327   HG22  THR  41          1HG2      THR  41   2.739  -6.513   9.590
  328   HG23  THR  41          2HG2      THR  41   1.354  -7.620   9.398
  329    H    ASN  42           H        ASN  42   5.694  -7.493   7.598
  330    HA   ASN  42           HA       ASN  42   7.161 -10.011   7.111
  331    HB2  ASN  42           1HB      ASN  42   7.093  -7.633   5.202
  332    HB3  ASN  42           2HB      ASN  42   8.439  -8.756   5.245
  333   HD21  ASN  42          2HD2      ASN  42   5.163  -8.295   4.148
  334   HD22  ASN  42          1HD2      ASN  42   5.061  -9.829   3.286
  335    H    THR  43           H        THR  43   9.011 -10.058   8.274
  336    HA   THR  43           HA       THR  43   9.927  -7.653   9.736
  337    HB   THR  43           HB       THR  43  10.936 -10.516   9.901
  338    HG1  THR  43           1HG      THR  43   9.408 -10.833  11.371
  339   HG21  THR  43          3HG2      THR  43  11.572  -9.792  12.226
  340   HG22  THR  43          1HG2      THR  43  12.481  -8.942  10.976
  341   HG23  THR  43          2HG2      THR  43  11.135  -8.124  11.800
  342    H    ASN  44           H        ASN  44  11.927  -6.747   9.591
  343    HA   ASN  44           HA       ASN  44  13.518  -7.313   7.125
  344    HB2  ASN  44           1HB      ASN  44  13.277  -4.776   8.798
  345    HB3  ASN  44           2HB      ASN  44  14.224  -4.957   7.326
  346   HD21  ASN  44          2HD2      ASN  44  10.966  -4.761   8.634
  347   HD22  ASN  44          1HD2      ASN  44  10.182  -4.353   7.091
  348    H    ARG  45           H        ARG  45  15.816  -7.000   7.226
  349    HA   ARG  45           HA       ARG  45  17.146  -8.353   9.353
  350    HB2  ARG  45           1HB      ARG  45  18.352  -6.529   7.228
  351    HB3  ARG  45           2HB      ARG  45  19.224  -7.712   8.217
  352    HG2  ARG  45           1HG      ARG  45  17.784  -9.526   7.236
  353    HG3  ARG  45           2HG      ARG  45  17.058  -8.313   6.163
  354    HD2  ARG  45           1HD      ARG  45  19.290  -7.810   5.214
  355    HD3  ARG  45           2HD      ARG  45  20.027  -9.025   6.257
  356    HE   ARG  45           HE       ARG  45  18.439  -9.449   3.829
  357   HH11  ARG  45          1HH1      ARG  45  19.678 -11.090   6.712
  358   HH12  ARG  45          2HH1      ARG  45  19.536 -12.662   5.984
  359   HH21  ARG  45          1HH2      ARG  45  18.278 -11.501   2.960
  360   HH22  ARG  45          2HH2      ARG  45  18.752 -12.888   3.893
  361    H    ASN  46           H        ASN  46  16.443  -4.978   8.941
  362    HA   ASN  46           HA       ASN  46  18.253  -3.951  10.964
  363    HB2  ASN  46           1HB      ASN  46  15.781  -2.728   9.663
  364    HB3  ASN  46           2HB      ASN  46  16.954  -1.856  10.647
  365   HD21  ASN  46          2HD2      ASN  46  19.045  -1.346   9.756
  366   HD22  ASN  46          1HD2      ASN  46  19.365  -1.566   8.045
  367    H    GLY  47           H        GLY  47  15.439  -5.802  11.363
  368    HA2  GLY  47           1HA      GLY  47  14.467  -6.470  13.367
  369    HA3  GLY  47           2HA      GLY  47  15.176  -5.075  14.213
  370    H    SER  48           H        SER  48  13.728  -3.785  11.519
  371    HA   SER  48           HA       SER  48  11.209  -3.063  12.890
  372    HB2  SER  48           1HB      SER  48  10.940  -1.566  10.935
  373    HB3  SER  48           2HB      SER  48  12.441  -1.285  11.821
  374    HG   SER  48           HG       SER  48  12.983  -1.337   9.659
  375    H    LYS  49           H        LYS  49   9.185  -3.178  11.651
  376    HA   LYS  49           HA       LYS  49   9.007  -5.518   9.806
  377    HB2  LYS  49           1HB      LYS  49   8.342  -5.932  12.299
  378    HB3  LYS  49           2HB      LYS  49   6.908  -4.984  11.903
  379    HG2  LYS  49           1HG      LYS  49   6.439  -6.614  10.023
  380    HG3  LYS  49           2HG      LYS  49   7.756  -7.608  10.649
  381    HD2  LYS  49           1HD      LYS  49   5.205  -6.799  12.098
  382    HD3  LYS  49           2HD      LYS  49   5.556  -8.395  11.448
  383    HE2  LYS  49           1HE      LYS  49   7.171  -7.069  13.669
  384    HE3  LYS  49           2HE      LYS  49   5.805  -8.145  13.952
  385    HZ1  LYS  49           3HZ      LYS  49   7.951  -9.314  14.028
  386    HZ2  LYS  49           1HZ      LYS  49   6.982  -9.923  12.865
  387    HZ3  LYS  49           2HZ      LYS  49   8.235  -8.968  12.450
  388    H    ASP  50           H        ASP  50   7.365  -5.498   8.366
  389    HA   ASP  50           HA       ASP  50   6.268  -2.860   7.559
  390    HB2  ASP  50           1HB      ASP  50   6.496  -5.526   6.101
  391    HB3  ASP  50           2HB      ASP  50   5.905  -4.028   5.416
  392    H    TYR  51           H        TYR  51   4.054  -2.561   7.364
  393    HA   TYR  51           HA       TYR  51   2.187  -4.769   8.150
  394    HB2  TYR  51           1HB      TYR  51   2.338  -1.915   9.195
  395    HB3  TYR  51           2HB      TYR  51   1.089  -3.077   9.607
  396    HD1  TYR  51           2HD      TYR  51   4.661  -2.174  10.019
  397    HD2  TYR  51           1HD      TYR  51   1.456  -4.736  11.324
  398    HE1  TYR  51           2HE      TYR  51   5.964  -2.766  12.028
  399    HE2  TYR  51           1HE      TYR  51   2.753  -5.330  13.363
  400    HH   TYR  51           HH       TYR  51   5.992  -3.933  14.029
  401    H    GLY  52           H        GLY  52   0.086  -4.667   7.406
  402    HA2  GLY  52           1HA      GLY  52  -1.818  -3.861   6.356
  403    HA3  GLY  52           2HA      GLY  52  -1.048  -2.271   6.219
  404    H    LEU  53           H        LEU  53  -2.451  -2.603   4.217
  405    HA   LEU  53           HA       LEU  53  -1.724  -4.458   2.237
  406    HB2  LEU  53           1HB      LEU  53  -3.824  -2.668   2.706
  407    HB3  LEU  53           2HB      LEU  53  -2.999  -1.850   1.397
  408    HG   LEU  53           HG       LEU  53  -3.045  -4.266   0.252
  409   HD11  LEU  53          1HD1      LEU  53  -3.905  -5.421   2.206
  410   HD12  LEU  53          2HD1      LEU  53  -5.351  -4.378   2.222
  411   HD13  LEU  53          3HD1      LEU  53  -5.098  -5.487   0.887
  412   HD21  LEU  53          3HD2      LEU  53  -5.222  -3.765  -0.729
  413   HD22  LEU  53          1HD2      LEU  53  -5.505  -2.517   0.517
  414   HD23  LEU  53          2HD2      LEU  53  -4.189  -2.309  -0.658
  415    H    PHE  54           H        PHE  54  -0.106  -1.560   2.850
  416    HA   PHE  54           HA       PHE  54   1.323  -1.728   0.222
  417    HB2  PHE  54           1HB      PHE  54   0.997   0.638   2.093
  418    HB3  PHE  54           2HB      PHE  54   1.895   0.642   0.590
  419    HD1  PHE  54           2HD      PHE  54  -1.514   0.387   2.052
  420    HD2  PHE  54           1HD      PHE  54   0.791   0.890  -1.551
  421    HE1  PHE  54           2HE      PHE  54  -3.573   1.012   0.836
  422    HE2  PHE  54           1HE      PHE  54  -1.271   1.560  -2.759
  423    HZ   PHE  54           HZ       PHE  54  -3.454   1.620  -1.576
  424    H    GLN  55           H        GLN  55   1.720  -3.198   2.942
  425    HA   GLN  55           HA       GLN  55   3.340  -3.719   4.436
  426    HB2  GLN  55           1HB      GLN  55   4.781  -3.693   1.761
  427    HB3  GLN  55           2HB      GLN  55   5.608  -4.226   3.222
  428    HG2  GLN  55           1HG      GLN  55   3.350  -5.531   1.770
  429    HG3  GLN  55           2HG      GLN  55   4.920  -6.173   2.167
  430   HE21  GLN  55          2HE2      GLN  55   1.626  -5.737   3.325
  431   HE22  GLN  55          1HE2      GLN  55   1.876  -6.507   4.888
  432    H    ILE  56           H        ILE  56   2.922  -1.396   5.244
  433    HA   ILE  56           HA       ILE  56   5.063   0.543   4.736
  434    HB   ILE  56           HB       ILE  56   2.718   0.830   6.663
  435   HG12  ILE  56          1HG1      ILE  56   2.897   1.417   3.664
  436   HG13  ILE  56          2HG1      ILE  56   1.808   0.238   4.428
  437   HG21  ILE  56          1HG2      ILE  56   4.616   2.434   6.826
  438   HG22  ILE  56          2HG2      ILE  56   4.325   2.909   5.138
  439   HG23  ILE  56          3HG2      ILE  56   3.092   3.186   6.395
  440   HD11  ILE  56          3HD1      ILE  56   0.436   2.051   3.890
  441   HD12  ILE  56          1HD1      ILE  56   0.741   2.255   5.629
  442   HD13  ILE  56          2HD1      ILE  56   1.625   3.233   4.425
  443    H    ASN  57           H        ASN  57   6.766   0.989   6.039
  444    HA   ASN  57           HA       ASN  57   7.251  -0.922   8.193
  445    HB2  ASN  57           1HB      ASN  57   8.822  -0.553   6.326
  446    HB3  ASN  57           2HB      ASN  57   9.084   1.103   6.901
  447   HD21  ASN  57          2HD2      ASN  57   9.774  -2.293   7.452
  448   HD22  ASN  57          1HD2      ASN  57  10.980  -2.018   8.718
  449    H    ASP  58           H        ASP  58   7.551  -0.547  10.264
  450    HA   ASP  58           HA       ASP  58   6.453   1.715  11.501
  451    HB2  ASP  58           1HB      ASP  58   6.891   0.727  13.547
  452    HB3  ASP  58           2HB      ASP  58   6.540  -0.579  12.427
  453    H    ARG  59           H        ARG  59   9.637   1.543  10.319
  454    HA   ARG  59           HA       ARG  59  10.902   3.221  12.350
  455    HB2  ARG  59           1HB      ARG  59  11.975   1.375  11.027
  456    HB3  ARG  59           2HB      ARG  59  11.943   2.436   9.609
  457    HG2  ARG  59           1HG      ARG  59  13.420   4.034  10.710
  458    HG3  ARG  59           2HG      ARG  59  13.240   3.188  12.257
  459    HD2  ARG  59           1HD      ARG  59  14.273   1.146  11.157
  460    HD3  ARG  59           2HD      ARG  59  14.634   2.151   9.754
  461    HE   ARG  59           HE       ARG  59  15.680   2.462  12.537
  462   HH11  ARG  59          1HH1      ARG  59  16.089   3.339   9.116
  463   HH12  ARG  59          2HH1      ARG  59  17.628   4.091   9.414
  464   HH21  ARG  59          1HH2      ARG  59  17.681   3.425  12.819
  465   HH22  ARG  59          2HH2      ARG  59  18.510   4.141  11.472
  466    H    TYR  60           H        TYR  60   9.012   3.849   9.508
  467    HA   TYR  60           HA       TYR  60  10.114   6.640   9.272
  468    HB2  TYR  60           1HB      TYR  60   9.209   4.755   7.073
  469    HB3  TYR  60           2HB      TYR  60   9.885   6.350   6.841
  470    HD1  TYR  60           1HD      TYR  60  12.314   6.531   8.323
  471    HD2  TYR  60           2HD      TYR  60  10.609   3.000   6.523
  472    HE1  TYR  60           1HE      TYR  60  14.565   5.481   8.250
  473    HE2  TYR  60           2HE      TYR  60  12.854   1.950   6.445
  474    HH   TYR  60           HH       TYR  60  15.095   2.198   6.889
  475    H    TRP  61           H        TRP  61   7.277   4.754   8.130
  476    HA   TRP  61           HA       TRP  61   5.799   7.307   7.844
  477    HB2  TRP  61           1HB      TRP  61   5.148   4.553   6.837
  478    HB3  TRP  61           2HB      TRP  61   4.487   6.048   6.240
  479    HD1  TRP  61           HD       TRP  61   6.908   3.510   5.430
  480    HE1  TRP  61           1HE      TRP  61   8.651   4.266   3.707
  481    HE3  TRP  61           3HE      TRP  61   6.004   8.557   5.511
  482    HZ2  TRP  61           2HZ      TRP  61   9.444   6.715   2.411
  483    HZ3  TRP  61           3HZ      TRP  61   7.235  10.068   3.984
  484    HH2  TRP  61           HH       TRP  61   8.950   9.167   2.427
  485    H    CYS  62           H        CYS  62   5.105   4.003   9.104
  486    HA   CYS  62           HA       CYS  62   2.988   5.126  10.868
  487    HB2  CYS  62           1HB      CYS  62   2.381   2.691  11.171
  488    HB3  CYS  62           2HB      CYS  62   2.089   3.373   9.590
  489    H    SER  63           H        SER  63   2.865   4.250  13.045
  490    HA   SER  63           HA       SER  63   5.515   3.935  14.399
  491    HB2  SER  63           1HB      SER  63   4.076   5.917  14.971
  492    HB3  SER  63           2HB      SER  63   2.809   4.806  15.490
  493    HG   SER  63           HG       SER  63   3.983   5.384  17.293
  494    H    LYS  64           H        LYS  64   5.958   2.136  15.590
  495    HA   LYS  64           HA       LYS  64   3.976  -0.049  15.788
  496    HB2  LYS  64           1HB      LYS  64   5.889  -1.314  16.748
  497    HB3  LYS  64           2HB      LYS  64   6.180  -0.712  15.130
  498    HG2  LYS  64           1HG      LYS  64   7.659   1.003  15.898
  499    HG3  LYS  64           2HG      LYS  64   7.106   0.868  17.574
  500    HD2  LYS  64           1HD      LYS  64   8.141  -1.256  17.875
  501    HD3  LYS  64           2HD      LYS  64   8.540  -1.388  16.137
  502    HE2  LYS  64           1HE      LYS  64   9.951   0.649  16.324
  503    HE3  LYS  64           2HE      LYS  64   9.590   0.743  18.055
  504    HZ1  LYS  64           3HZ      LYS  64  11.718  -0.354  17.652
  505    HZ2  LYS  64           1HZ      LYS  64  10.681  -1.426  18.320
  506    HZ3  LYS  64           2HZ      LYS  64  11.015  -1.495  16.717
  507    H    GLY  65           H        GLY  65   4.750   2.578  17.770
  508    HA2  GLY  65           1HA      GLY  65   4.868   1.230  20.350
  509    HA3  GLY  65           2HA      GLY  65   4.856   2.966  20.047
  510    H    ALA  66           H        ALA  66   3.502   3.059  21.960
  511    HA   ALA  66           HA       ALA  66   0.841   1.852  21.946
  512    HB1  ALA  66           1HB      ALA  66   2.208   2.090  23.995
  513    HB2  ALA  66           2HB      ALA  66   2.130   3.863  23.841
  514    HB3  ALA  66           3HB      ALA  66   0.652   2.925  24.140
  515    H    SER  67           H        SER  67   1.918   4.450  20.211
  516    HA   SER  67           HA       SER  67  -0.752   5.653  19.942
  517    HB2  SER  67           1HB      SER  67   0.304   6.758  21.933
  518    HB3  SER  67           2HB      SER  67   1.624   7.303  20.888
  519    HG   SER  67           HG       SER  67  -0.029   8.900  21.167
  520    HA   PRO  68           HA       PRO  68   0.997   6.378  15.793
  521    HB2  PRO  68           1HB      PRO  68  -0.682   8.349  14.881
  522    HB3  PRO  68           2HB      PRO  68  -1.161   6.627  14.995
  523    HG2  PRO  68           1HG      PRO  68  -1.709   8.840  16.992
  524    HG3  PRO  68           2HG      PRO  68  -2.864   7.648  16.309
  525    HD2  PRO  68           1HD      PRO  68  -1.722   7.258  18.720
  526    HD3  PRO  68           2HD      PRO  68  -1.952   5.887  17.600
  527    H    GLY  69           H        GLY  69   2.481   7.862  14.917
  528    HA2  GLY  69           1HA      GLY  69   3.015  10.509  15.785
  529    HA3  GLY  69           2HA      GLY  69   3.785   9.447  16.951
  530    H    LYS  70           H        LYS  70   3.490   8.905  13.472
  531    HA   LYS  70           HA       LYS  70   6.401   9.398  13.016
  532    HB2  LYS  70           1HB      LYS  70   4.721   6.970  12.342
  533    HB3  LYS  70           2HB      LYS  70   6.086   7.383  11.315
  534    HG2  LYS  70           1HG      LYS  70   6.502   7.235  14.318
  535    HG3  LYS  70           2HG      LYS  70   6.435   5.762  13.375
  536    HD2  LYS  70           1HD      LYS  70   8.241   6.494  11.930
  537    HD3  LYS  70           2HD      LYS  70   8.328   8.057  12.780
  538    HE2  LYS  70           1HE      LYS  70   8.797   6.763  14.915
  539    HE3  LYS  70           2HE      LYS  70   8.888   5.288  13.942
  540    HZ1  LYS  70           3HZ      LYS  70  11.085   6.239  14.311
  541    HZ2  LYS  70           1HZ      LYS  70  10.743   6.314  12.711
  542    HZ3  LYS  70           2HZ      LYS  70  10.653   7.661  13.638
  543    H    ASP  71           H        ASP  71   6.520   9.213  10.278
  544    HA   ASP  71           HA       ASP  71   5.783  11.829   9.688
  545    HB2  ASP  71           1HB      ASP  71   7.567  10.465   8.591
  546    HB3  ASP  71           2HB      ASP  71   6.318   9.647   7.650
  547    H    CYS  72           H        CYS  72   3.796   8.966   9.090
  548    HA   CYS  72           HA       CYS  72   1.744  10.645   7.700
  549    HB2  CYS  72           1HB      CYS  72   2.084   7.647   7.842
  550    HB3  CYS  72           2HB      CYS  72   0.822   8.506   6.960
  551    H    ASN  73           H        ASN  73   2.337  10.089  10.820
  552    HA   ASN  73           HA       ASN  73   1.133  10.113  12.714
  553    HB2  ASN  73           1HB      ASN  73   0.596  12.267  11.560
  554    HB3  ASN  73           2HB      ASN  73  -0.897  11.544  10.958
  555   HD21  ASN  73          2HD2      ASN  73  -2.185  13.122  12.108
  556   HD22  ASN  73          1HD2      ASN  73  -2.349  13.042  13.855
  557    H    VAL  74           H        VAL  74   0.982   7.657  11.827
  558    HA   VAL  74           HA       VAL  74  -1.686   6.634  12.553
  559    HB   VAL  74           HB       VAL  74  -1.732   7.054  10.105
  560   HG11  VAL  74          1HG1      VAL  74   0.679   6.646   9.582
  561   HG12  VAL  74          2HG1      VAL  74   0.419   4.910   9.861
  562   HG13  VAL  74          3HG1      VAL  74  -0.423   5.734   8.539
  563   HG21  VAL  74          3HG2      VAL  74  -2.620   4.912   9.437
  564   HG22  VAL  74          1HG2      VAL  74  -1.804   4.095  10.782
  565   HG23  VAL  74          2HG2      VAL  74  -3.105   5.265  11.104
  566    H    LYS  75           H        LYS  75  -1.655   4.588  13.396
  567    HA   LYS  75           HA       LYS  75   0.990   3.543  14.196
  568    HB2  LYS  75           1HB      LYS  75  -1.144   4.168  15.652
  569    HB3  LYS  75           2HB      LYS  75  -1.618   2.507  15.284
  570    HG2  LYS  75           1HG      LYS  75   0.562   1.730  16.267
  571    HG3  LYS  75           2HG      LYS  75   1.002   3.419  16.552
  572    HD2  LYS  75           1HD      LYS  75   0.194   2.932  18.628
  573    HD3  LYS  75           2HD      LYS  75  -1.272   3.526  17.890
  574    HE2  LYS  75           1HE      LYS  75  -1.858   1.584  19.111
  575    HE3  LYS  75           2HE      LYS  75  -1.933   1.119  17.405
  576    HZ1  LYS  75           3HZ      LYS  75  -0.768  -0.508  18.884
  577    HZ2  LYS  75           1HZ      LYS  75   0.212   0.019  17.680
  578    HZ3  LYS  75           2HZ      LYS  75   0.401   0.604  19.185
  579    H    CYS  76           H        CYS  76   1.773   1.575  13.630
  580    HA   CYS  76           HA       CYS  76   1.172   0.202  11.308
  581    HB2  CYS  76           1HB      CYS  76   2.332  -0.913  13.895
  582    HB3  CYS  76           2HB      CYS  76   2.504  -1.627  12.300
  583    H    SER  77           H        SER  77  -0.240  -0.522  14.517
  584    HA   SER  77           HA       SER  77  -1.536  -2.973  13.708
  585    HB2  SER  77           1HB      SER  77  -0.938  -2.268  16.052
  586    HB3  SER  77           2HB      SER  77  -2.321  -1.155  16.004
  587    HG   SER  77           HG       SER  77  -2.843  -3.214  16.944
  588    H    ASP  78           H        ASP  78  -2.614   0.447  13.528
  589    HA   ASP  78           HA       ASP  78  -5.384  -0.217  12.930
  590    HB2  ASP  78           1HB      ASP  78  -3.735   2.313  12.603
  591    HB3  ASP  78           2HB      ASP  78  -5.417   2.188  12.116
  592    H    LEU  79           H        LEU  79  -2.496  -0.423  11.090
  593    HA   LEU  79           HA       LEU  79  -3.755  -0.140   8.454
  594    HB2  LEU  79           1HB      LEU  79  -1.079  -1.449   9.047
  595    HB3  LEU  79           2HB      LEU  79  -1.649  -0.716   7.556
  596    HG   LEU  79           HG       LEU  79  -0.833   0.751  10.089
  597   HD11  LEU  79          1HD1      LEU  79   1.032  -0.110   8.772
  598   HD12  LEU  79          2HD1      LEU  79   0.344   0.568   7.284
  599   HD13  LEU  79          3HD1      LEU  79   0.934   1.645   8.565
  600   HD21  LEU  79          3HD2      LEU  79  -1.143   2.832   8.743
  601   HD22  LEU  79          1HD2      LEU  79  -1.921   1.859   7.482
  602   HD23  LEU  79          2HD2      LEU  79  -2.672   2.009   9.086
  603    H    LEU  80           H        LEU  80  -3.683  -2.580  10.832
  604    HA   LEU  80           HA       LEU  80  -3.943  -4.831   8.938
  605    HB2  LEU  80           1HB      LEU  80  -3.914  -4.866  11.968
  606    HB3  LEU  80           2HB      LEU  80  -3.736  -6.244  10.892
  607    HG   LEU  80           HG       LEU  80  -1.739  -3.975  11.209
  608   HD11  LEU  80          1HD1      LEU  80  -1.893  -5.485  13.163
  609   HD12  LEU  80          2HD1      LEU  80  -1.635  -6.889  12.104
  610   HD13  LEU  80          3HD1      LEU  80  -0.349  -5.685  12.323
  611   HD21  LEU  80          3HD2      LEU  80  -0.207  -5.411   9.857
  612   HD22  LEU  80          1HD2      LEU  80  -1.564  -6.504   9.519
  613   HD23  LEU  80          2HD2      LEU  80  -1.590  -4.822   8.935
  614    H    THR  81           H        THR  81  -6.088  -2.633   9.685
  615    HA   THR  81           HA       THR  81  -8.272  -4.267  10.803
  616    HB   THR  81           HB       THR  81  -9.527  -2.176  10.899
  617    HG1  THR  81           1HG      THR  81  -7.222  -0.810  10.041
  618   HG21  THR  81          3HG2      THR  81  -8.124  -0.967  12.507
  619   HG22  THR  81          1HG2      THR  81  -8.082  -2.717  12.784
  620   HG23  THR  81          2HG2      THR  81  -6.705  -1.913  12.009
  621    H    ASP  82           H        ASP  82 -10.517  -3.259   9.708
  622    HA   ASP  82           HA       ASP  82 -10.693  -4.877   7.273
  623    HB2  ASP  82           1HB      ASP  82 -13.047  -4.886   7.777
  624    HB3  ASP  82           2HB      ASP  82 -12.136  -5.245   9.241
  625    H    ASP  83           H        ASP  83 -10.092  -1.740   7.681
  626    HA   ASP  83           HA       ASP  83 -11.073  -1.121   4.949
  627    HB2  ASP  83           1HB      ASP  83 -12.589   0.046   6.567
  628    HB3  ASP  83           2HB      ASP  83 -11.202   0.970   7.143
  629    H    ILE  84           H        ILE  84  -9.480  -0.664   3.721
  630    HA   ILE  84           HA       ILE  84  -6.760  -0.655   4.595
  631    HB   ILE  84           HB       ILE  84  -6.206  -0.598   2.274
  632   HG12  ILE  84          1HG1      ILE  84  -9.047   0.359   1.689
  633   HG13  ILE  84          2HG1      ILE  84  -7.590   1.351   1.652
  634   HG21  ILE  84          1HG2      ILE  84  -7.422  -2.655   3.126
  635   HG22  ILE  84          2HG2      ILE  84  -8.906  -2.028   2.403
  636   HG23  ILE  84          3HG2      ILE  84  -7.532  -2.442   1.379
  637   HD11  ILE  84          3HD1      ILE  84  -8.216   0.798  -0.578
  638   HD12  ILE  84          1HD1      ILE  84  -6.660   0.028  -0.175
  639   HD13  ILE  84          2HD1      ILE  84  -8.161  -0.938  -0.234
  640    H    THR  85           H        THR  85  -8.934   1.954   4.445
  641    HA   THR  85           HA       THR  85  -7.562   4.049   3.290
  642    HB   THR  85           HB       THR  85  -9.884   4.066   3.931
  643    HG1  THR  85           1HG      THR  85  -9.924   6.220   4.397
  644   HG21  THR  85          3HG2      THR  85 -10.628   4.684   6.148
  645   HG22  THR  85          1HG2      THR  85  -9.689   3.190   6.262
  646   HG23  THR  85          2HG2      THR  85  -8.957   4.739   6.752
  647    H    LYS  86           H        LYS  86  -6.979   2.886   6.584
  648    HA   LYS  86           HA       LYS  86  -5.338   5.092   7.429
  649    HB2  LYS  86           1HB      LYS  86  -5.162   2.183   8.329
  650    HB3  LYS  86           2HB      LYS  86  -4.512   3.592   9.144
  651    HG2  LYS  86           1HG      LYS  86  -6.372   3.326  10.387
  652    HG3  LYS  86           2HG      LYS  86  -7.025   4.434   9.182
  653    HD2  LYS  86           1HD      LYS  86  -8.091   2.566   8.000
  654    HD3  LYS  86           2HD      LYS  86  -7.227   1.395   9.002
  655    HE2  LYS  86           1HE      LYS  86  -8.410   2.289  11.013
  656    HE3  LYS  86           2HE      LYS  86  -9.333   3.378   9.963
  657    HZ1  LYS  86           3HZ      LYS  86 -10.540   1.306  10.443
  658    HZ2  LYS  86           1HZ      LYS  86 -10.224   1.410   8.837
  659    HZ3  LYS  86           2HZ      LYS  86  -9.332   0.413   9.780
  660    H    ALA  87           H        ALA  87  -4.646   2.234   5.493
  661    HA   ALA  87           HA       ALA  87  -1.729   2.770   5.390
  662    HB1  ALA  87           1HB      ALA  87  -2.723   0.427   5.614
  663    HB2  ALA  87           2HB      ALA  87  -3.369   0.618   3.968
  664    HB3  ALA  87           3HB      ALA  87  -1.614   0.651   4.257
  665    H    ALA  88           H        ALA  88  -4.618   2.860   3.282
  666    HA   ALA  88           HA       ALA  88  -3.263   3.535   0.889
  667    HB1  ALA  88           1HB      ALA  88  -5.597   2.614   1.142
  668    HB2  ALA  88           2HB      ALA  88  -6.128   4.236   1.665
  669    HB3  ALA  88           3HB      ALA  88  -5.466   3.985   0.042
  670    H    LYS  89           H        LYS  89  -4.761   5.778   3.309
  671    HA   LYS  89           HA       LYS  89  -4.019   8.169   1.852
  672    HB2  LYS  89           1HB      LYS  89  -4.710   7.612   4.754
  673    HB3  LYS  89           2HB      LYS  89  -4.405   9.238   4.117
  674    HG2  LYS  89           1HG      LYS  89  -6.246   9.029   2.517
  675    HG3  LYS  89           2HG      LYS  89  -6.570   7.367   3.041
  676    HD2  LYS  89           1HD      LYS  89  -7.155   8.136   5.288
  677    HD3  LYS  89           2HD      LYS  89  -6.748   9.814   4.855
  678    HE2  LYS  89           1HE      LYS  89  -8.510   9.823   3.127
  679    HE3  LYS  89           2HE      LYS  89  -8.882   8.130   3.472
  680    HZ1  LYS  89           3HZ      LYS  89 -10.426   9.619   4.599
  681    HZ2  LYS  89           1HZ      LYS  89  -9.553   8.799   5.712
  682    HZ3  LYS  89           2HZ      LYS  89  -9.212  10.369   5.394
  683    H    CYS  90           H        CYS  90  -2.304   6.199   4.225
  684    HA   CYS  90           HA       CYS  90   0.005   7.951   4.536
  685    HB2  CYS  90           1HB      CYS  90  -0.547   6.306   6.195
  686    HB3  CYS  90           2HB      CYS  90  -0.505   4.993   5.018
  687    H    ALA  91           H        ALA  91  -0.759   5.210   2.339
  688    HA   ALA  91           HA       ALA  91   1.638   5.246   0.847
  689    HB1  ALA  91           1HB      ALA  91  -0.063   3.450   0.840
  690    HB2  ALA  91           2HB      ALA  91  -1.174   4.505  -0.045
  691    HB3  ALA  91           3HB      ALA  91   0.343   3.994  -0.804
  692    H    LYS  92           H        LYS  92  -1.348   7.302   0.308
  693    HA   LYS  92           HA       LYS  92  -0.314   8.598  -2.003
  694    HB2  LYS  92           1HB      LYS  92  -1.952   9.953   0.175
  695    HB3  LYS  92           2HB      LYS  92  -1.805  10.433  -1.505
  696    HG2  LYS  92           1HG      LYS  92  -3.310   8.083  -0.355
  697    HG3  LYS  92           2HG      LYS  92  -3.947   9.470  -1.164
  698    HD2  LYS  92           1HD      LYS  92  -2.445   7.132  -2.377
  699    HD3  LYS  92           2HD      LYS  92  -4.124   7.570  -2.616
  700    HE2  LYS  92           1HE      LYS  92  -1.720   9.181  -3.604
  701    HE3  LYS  92           2HE      LYS  92  -2.700   8.094  -4.586
  702    HZ1  LYS  92           3HZ      LYS  92  -3.376  10.412  -4.849
  703    HZ2  LYS  92           1HZ      LYS  92  -4.608   9.544  -4.229
  704    HZ3  LYS  92           2HZ      LYS  92  -3.741  10.542  -3.262
  705    H    LYS  93           H        LYS  93   0.269   9.400   1.453
  706    HA   LYS  93           HA       LYS  93   1.914  11.689   0.848
  707    HB2  LYS  93           1HB      LYS  93   0.699  11.295   2.995
  708    HB3  LYS  93           2HB      LYS  93   1.887  10.047   3.408
  709    HG2  LYS  93           1HG      LYS  93   3.696  11.700   3.381
  710    HG3  LYS  93           2HG      LYS  93   2.606  12.936   2.728
  711    HD2  LYS  93           1HD      LYS  93   1.292  12.858   4.849
  712    HD3  LYS  93           2HD      LYS  93   2.457  11.674   5.497
  713    HE2  LYS  93           1HE      LYS  93   4.303  13.297   5.140
  714    HE3  LYS  93           2HE      LYS  93   3.156  14.475   4.489
  715    HZ1  LYS  93           3HZ      LYS  93   3.626  14.921   6.808
  716    HZ2  LYS  93           1HZ      LYS  93   2.056  14.477   6.679
  717    HZ3  LYS  93           2HZ      LYS  93   3.174  13.417   7.257
  718    H    ILE  94           H        ILE  94   2.667   8.289   0.843
  719    HA   ILE  94           HA       ILE  94   5.583   8.755   0.613
  720    HB   ILE  94           HB       ILE  94   3.906   6.270   0.071
  721   HG12  ILE  94          1HG1      ILE  94   5.740   6.870   2.425
  722   HG13  ILE  94          2HG1      ILE  94   4.010   7.115   2.505
  723   HG21  ILE  94          1HG2      ILE  94   5.981   6.270  -1.228
  724   HG22  ILE  94          2HG2      ILE  94   6.906   6.779   0.196
  725   HG23  ILE  94          3HG2      ILE  94   6.170   5.153   0.123
  726   HD11  ILE  94          3HD1      ILE  94   4.469   5.004   3.513
  727   HD12  ILE  94          1HD1      ILE  94   3.649   4.688   1.976
  728   HD13  ILE  94          2HD1      ILE  94   5.407   4.447   2.118
  729    H    TYR  95           H        TYR  95   2.898   8.010  -1.683
  730    HA   TYR  95           HA       TYR  95   4.480   8.059  -4.011
  731    HB2  TYR  95           1HB      TYR  95   2.508   7.189  -4.511
  732    HB3  TYR  95           2HB      TYR  95   1.609   8.160  -3.357
  733    HD1  TYR  95           2HD      TYR  95   1.009  10.581  -3.971
  734    HD2  TYR  95           1HD      TYR  95   2.329   7.638  -6.835
  735    HE1  TYR  95           2HE      TYR  95   0.024  11.931  -5.808
  736    HE2  TYR  95           1HE      TYR  95   1.367   8.999  -8.677
  737    HH   TYR  95           HH       TYR  95  -0.332  12.104  -8.079
  738    H    LYS  96           H        LYS  96   3.163  10.756  -2.192
  739    HA   LYS  96           HA       LYS  96   3.815  12.945  -3.879
  740    HB2  LYS  96           1HB      LYS  96   3.620  12.419  -0.907
  741    HB3  LYS  96           2HB      LYS  96   4.213  13.989  -1.459
  742    HG2  LYS  96           1HG      LYS  96   2.164  14.270  -2.874
  743    HG3  LYS  96           2HG      LYS  96   1.511  12.775  -2.190
  744    HD2  LYS  96           1HD      LYS  96   1.608  13.805   0.089
  745    HD3  LYS  96           2HD      LYS  96   2.260  15.291  -0.630
  746    HE2  LYS  96           1HE      LYS  96   0.207  15.487  -2.043
  747    HE3  LYS  96           2HE      LYS  96  -0.451  14.035  -1.279
  748    HZ1  LYS  96           3HZ      LYS  96  -1.302  16.054  -0.241
  749    HZ2  LYS  96           1HZ      LYS  96  -0.414  15.226   0.850
  750    HZ3  LYS  96           2HZ      LYS  96   0.199  16.566   0.137
  751    H    ARG  97           H        ARG  97   6.036  10.803  -2.262
  752    HA   ARG  97           HA       ARG  97   8.335  12.666  -2.754
  753    HB2  ARG  97           1HB      ARG  97   8.076  10.339  -0.809
  754    HB3  ARG  97           2HB      ARG  97   9.496  11.360  -1.011
  755    HG2  ARG  97           1HG      ARG  97   6.770  12.243   0.039
  756    HG3  ARG  97           2HG      ARG  97   8.232  11.969   0.987
  757    HD2  ARG  97           1HD      ARG  97   9.367  13.816  -0.245
  758    HD3  ARG  97           2HD      ARG  97   7.862  14.121  -1.138
  759    HE   ARG  97           HE       ARG  97   7.341  14.150   1.672
  760   HH11  ARG  97          1HH1      ARG  97   8.870  16.189  -0.785
  761   HH12  ARG  97          2HH1      ARG  97   8.569  17.649   0.108
  762   HH21  ARG  97          1HH2      ARG  97   6.990  16.073   2.775
  763   HH22  ARG  97          2HH2      ARG  97   7.519  17.582   2.093
  764    H    HIS  98           H        HIS  98   7.193   9.339  -3.224
  765    HA   HIS  98           HA       HIS  98   9.559   8.788  -5.006
  766    HB2  HIS  98           1HB      HIS  98   8.141   6.985  -3.006
  767    HB3  HIS  98           2HB      HIS  98   9.506   6.522  -4.020
  768    HD2  HIS  98           2HD      HIS  98   8.748   7.898  -0.660
  769    HE1  HIS  98           1HE      HIS  98  12.870   8.766  -1.264
  770    HE2  HIS  98           2HE      HIS  98  10.998   8.676   0.461
  771    H    ARG  99           H        ARG  99   6.284   9.065  -5.261
  772    HA   ARG  99           HA       ARG  99   4.509   8.121  -6.134
  773    HB2  ARG  99           1HB      ARG  99   4.450   7.822  -8.509
  774    HB3  ARG  99           2HB      ARG  99   5.120   9.344  -7.964
  775    HG2  ARG  99           1HG      ARG  99   7.026   7.109  -8.610
  776    HG3  ARG  99           2HG      ARG  99   6.176   7.903  -9.938
  777    HD2  ARG  99           1HD      ARG  99   7.017  10.112  -9.159
  778    HD3  ARG  99           2HD      ARG  99   7.910   9.324  -7.872
  779    HE   ARG  99           HE       ARG  99   9.492   8.526  -9.359
  780   HH11  ARG  99          1HH1      ARG  99   6.886   9.975 -11.274
  781   HH12  ARG  99          2HH1      ARG  99   7.830   9.949 -12.733
  782   HH21  ARG  99          1HH2      ARG  99  10.643   8.525 -11.273
  783   HH22  ARG  99          2HH2      ARG  99   9.921   9.137 -12.730
  784    H    PHE 100           H        PHE 100   6.997   5.778  -7.204
  785    HA   PHE 100           HA       PHE 100   5.351   3.567  -6.095
  786    HB2  PHE 100           1HB      PHE 100   6.535   3.547  -8.889
  787    HB3  PHE 100           2HB      PHE 100   5.682   2.237  -8.082
  788    HD1  PHE 100           1HD      PHE 100   3.238   2.835  -7.200
  789    HD2  PHE 100           2HD      PHE 100   5.280   4.825 -10.433
  790    HE1  PHE 100           1HE      PHE 100   1.065   3.518  -8.147
  791    HE2  PHE 100           2HE      PHE 100   3.093   5.529 -11.372
  792    HZ   PHE 100           HZ       PHE 100   0.978   4.869 -10.233
  793    H    ASP 101           H        ASP 101   8.441   5.034  -6.448
  794    HA   ASP 101           HA       ASP 101  10.083   2.674  -6.589
  795    HB2  ASP 101           1HB      ASP 101  10.657   4.879  -7.544
  796    HB3  ASP 101           2HB      ASP 101  10.724   5.572  -5.925
  797    H    ALA 102           H        ALA 102   8.503   4.121  -3.922
  798    HA   ALA 102           HA       ALA 102  10.364   3.322  -1.826
  799    HB1  ALA 102           1HB      ALA 102   8.765   5.161  -1.516
  800    HB2  ALA 102           2HB      ALA 102   7.402   4.039  -1.759
  801    HB3  ALA 102           3HB      ALA 102   8.459   3.871  -0.344
  802    H    TRP 103           H        TRP 103   8.435   1.491  -3.885
  803    HA   TRP 103           HA       TRP 103   8.295  -0.828  -1.994
  804    HB2  TRP 103           1HB      TRP 103   6.406  -0.021  -4.243
  805    HB3  TRP 103           2HB      TRP 103   6.291  -1.501  -3.304
  806    HD1  TRP 103           HD       TRP 103   5.599  -1.281  -0.720
  807    HE1  TRP 103           1HE      TRP 103   4.127   0.390   0.495
  808    HE3  TRP 103           3HE      TRP 103   5.833   2.564  -4.081
  809    HZ2  TRP 103           2HZ      TRP 103   3.031   3.046   0.004
  810    HZ3  TRP 103           3HZ      TRP 103   4.550   4.650  -3.698
  811    HH2  TRP 103           HH       TRP 103   3.108   4.885  -1.687
  812    H    TYR 104           H        TYR 104   8.818  -2.820  -2.711
  813    HA   TYR 104           HA       TYR 104  10.869  -2.747  -4.796
  814    HB2  TYR 104           1HB      TYR 104  11.170  -3.707  -2.489
  815    HB3  TYR 104           2HB      TYR 104  10.067  -5.008  -2.931
  816    HD1  TYR 104           2HD      TYR 104  13.193  -3.270  -4.006
  817    HD2  TYR 104           1HD      TYR 104  10.956  -6.947  -4.013
  818    HE1  TYR 104           2HE      TYR 104  15.133  -4.443  -5.073
  819    HE2  TYR 104           1HE      TYR 104  12.885  -8.132  -5.056
  820    HH   TYR 104           HH       TYR 104  15.031  -7.943  -5.868
  821    H    GLY 105           H        GLY 105   7.772  -4.481  -4.288
  822    HA2  GLY 105           1HA      GLY 105   8.009  -6.290  -6.473
  823    HA3  GLY 105           2HA      GLY 105   6.489  -5.757  -5.710
  824    H    TRP 106           H        TRP 106   6.957  -2.899  -6.444
  825    HA   TRP 106           HA       TRP 106   5.773  -2.868  -9.034
  826    HB2  TRP 106           1HB      TRP 106   5.412  -1.110  -7.441
  827    HB3  TRP 106           2HB      TRP 106   7.112  -0.642  -7.503
  828    HD1  TRP 106           HD       TRP 106   3.928  -0.646  -9.669
  829    HE1  TRP 106           1HE      TRP 106   4.211   0.973 -11.640
  830    HE3  TRP 106           3HE      TRP 106   8.824   0.639  -8.937
  831    HZ2  TRP 106           2HZ      TRP 106   6.293   2.680 -12.713
  832    HZ3  TRP 106           3HZ      TRP 106   9.949   2.230 -10.459
  833    HH2  TRP 106           HH       TRP 106   8.696   3.267 -12.349
  834    H    LYS 107           H        LYS 107   9.165  -2.426  -8.036
  835    HA   LYS 107           HA       LYS 107  10.009  -2.129 -10.867
  836    HB2  LYS 107           1HB      LYS 107  12.243  -1.588  -9.841
  837    HB3  LYS 107           2HB      LYS 107  10.922  -0.450  -9.620
  838    HG2  LYS 107           1HG      LYS 107  10.558  -1.229  -7.325
  839    HG3  LYS 107           2HG      LYS 107  11.865  -2.427  -7.497
  840    HD2  LYS 107           1HD      LYS 107  13.504  -0.635  -7.786
  841    HD3  LYS 107           2HD      LYS 107  12.213   0.583  -7.861
  842    HE2  LYS 107           1HE      LYS 107  11.532   0.002  -5.540
  843    HE3  LYS 107           2HE      LYS 107  12.881  -1.145  -5.435
  844    HZ1  LYS 107           3HZ      LYS 107  13.371   1.087  -4.496
  845    HZ2  LYS 107           1HZ      LYS 107  14.406   0.706  -5.714
  846    HZ3  LYS 107           2HZ      LYS 107  13.177   1.759  -5.974
  847    H    ASN 108           H        ASN 108   9.896  -4.647  -8.511
  848    HA   ASN 108           HA       ASN 108  11.888  -6.276  -9.964
  849    HB2  ASN 108           1HB      ASN 108  11.838  -6.084  -7.473
  850    HB3  ASN 108           2HB      ASN 108  10.282  -6.921  -7.469
  851   HD21  ASN 108          2HD2      ASN 108  13.702  -7.291  -8.620
  852   HD22  ASN 108          1HD2      ASN 108  13.728  -9.030  -8.396
  853    H    HIS 109           H        HIS 109   8.371  -6.048  -9.782
  854    HA   HIS 109           HA       HIS 109   8.149  -8.403 -11.639
  855    HB2  HIS 109           1HB      HIS 109   6.270  -7.655  -9.366
  856    HB3  HIS 109           2HB      HIS 109   6.027  -8.948 -10.534
  857    HD2  HIS 109           2HD      HIS 109   7.380  -8.380  -7.157
  858    HE1  HIS 109           1HE      HIS 109   9.145 -12.050  -8.388
  859    HE2  HIS 109           2HE      HIS 109   8.728 -10.509  -6.404
  860    H    CYS 110           H        CYS 110   6.401  -5.418 -10.563
  861    HA   CYS 110           HA       CYS 110   4.448  -5.618 -12.610
  862    HB2  CYS 110           1HB      CYS 110   5.220  -3.073 -11.167
  863    HB3  CYS 110           2HB      CYS 110   3.678  -3.472 -11.890
  864    H    GLN 111           H        GLN 111   7.651  -4.630 -13.121
  865    HA   GLN 111           HA       GLN 111   7.168  -2.776 -15.332
  866    HB2  GLN 111           1HB      GLN 111   9.648  -4.427 -14.678
  867    HB3  GLN 111           2HB      GLN 111   9.565  -3.059 -15.784
  868    HG2  GLN 111           1HG      GLN 111   9.193  -2.975 -12.771
  869    HG3  GLN 111           2HG      GLN 111  10.586  -2.399 -13.667
  870   HE21  GLN 111          2HE2      GLN 111   7.798  -1.322 -12.137
  871   HE22  GLN 111          1HE2      GLN 111   7.668   0.215 -12.979
  872    H    GLY 112           H        GLY 112   7.124  -6.281 -15.050
  873    HA2  GLY 112           1HA      GLY 112   7.754  -6.819 -17.849
  874    HA3  GLY 112           2HA      GLY 112   7.137  -7.968 -16.636
  875    H    SER 113           H        SER 113   4.771  -6.505 -15.969
  876    HA   SER 113           HA       SER 113   3.072  -5.818 -18.163
  877    HB2  SER 113           1HB      SER 113   3.027  -8.691 -17.181
  878    HB3  SER 113           2HB      SER 113   1.531  -7.893 -17.666
  879    HG   SER 113           HG       SER 113   3.843  -8.056 -19.323
  880    H    LEU 114           H        LEU 114   1.077  -5.029 -17.412
  881    HA   LEU 114           HA       LEU 114   0.544  -5.157 -14.479
  882    HB2  LEU 114           1HB      LEU 114  -0.251  -3.096 -16.584
  883    HB3  LEU 114           2HB      LEU 114  -0.787  -3.082 -14.909
  884    HG   LEU 114           HG       LEU 114   2.126  -2.821 -15.776
  885   HD11  LEU 114          1HD1      LEU 114   0.726  -0.922 -16.504
  886   HD12  LEU 114          2HD1      LEU 114   0.153  -0.698 -14.834
  887   HD13  LEU 114          3HD1      LEU 114   1.870  -0.451 -15.237
  888   HD21  LEU 114          3HD2      LEU 114   2.443  -2.032 -13.416
  889   HD22  LEU 114          1HD2      LEU 114   0.768  -2.504 -13.060
  890   HD23  LEU 114          2HD2      LEU 114   1.968  -3.733 -13.512
  891    HA   PRO 115           HA       PRO 115  -3.162  -7.398 -15.577
  892    HB2  PRO 115           1HB      PRO 115  -4.762  -6.963 -13.428
  893    HB3  PRO 115           2HB      PRO 115  -3.259  -7.936 -13.312
  894    HG2  PRO 115           1HG      PRO 115  -3.647  -5.008 -12.601
  895    HG3  PRO 115           2HG      PRO 115  -2.864  -6.292 -11.620
  896    HD2  PRO 115           1HD      PRO 115  -1.436  -4.570 -13.196
  897    HD3  PRO 115           2HD      PRO 115  -0.938  -6.278 -12.973
  898    H    ASP 116           H        ASP 116  -5.243  -7.039 -16.441
  899    HA   ASP 116           HA       ASP 116  -5.967  -4.272 -17.103
  900    HB2  ASP 116           1HB      ASP 116  -6.187  -6.029 -18.787
  901    HB3  ASP 116           2HB      ASP 116  -7.305  -6.916 -17.747
  902    H    ILE 117           H        ILE 117  -7.800  -3.275 -16.551
  903    HA   ILE 117           HA       ILE 117  -9.407  -4.167 -14.185
  904    HB   ILE 117           HB       ILE 117  -9.246  -1.903 -13.253
  905   HG12  ILE 117          1HG1      ILE 117  -7.141  -1.332 -15.396
  906   HG13  ILE 117          2HG1      ILE 117  -8.803  -0.751 -15.468
  907   HG21  ILE 117          1HG2      ILE 117  -7.670  -3.700 -12.517
  908   HG22  ILE 117          2HG2      ILE 117  -6.458  -3.074 -13.652
  909   HG23  ILE 117          3HG2      ILE 117  -7.021  -2.072 -12.302
  910   HD11  ILE 117          3HD1      ILE 117  -7.408   0.991 -14.647
  911   HD12  ILE 117          1HD1      ILE 117  -8.486   0.450 -13.339
  912   HD13  ILE 117          2HD1      ILE 117  -6.770  -0.051 -13.356
  913    H    SER 118           H        SER 118  -9.530  -3.242 -17.351
  914    HA   SER 118           HA       SER 118 -11.508  -1.241 -17.475
  915    HB2  SER 118           1HB      SER 118 -11.059  -3.462 -19.502
  916    HB3  SER 118           2HB      SER 118 -11.791  -1.878 -19.795
  917    HG   SER 118           HG       SER 118  -9.085  -2.544 -19.256
  918    H    SER 119           H        SER 119 -12.044  -4.496 -16.497
  919    HA   SER 119           HA       SER 119 -14.941  -4.514 -17.091
  920    HB2  SER 119           1HB      SER 119 -14.775  -6.732 -15.933
  921    HB3  SER 119           2HB      SER 119 -13.768  -6.577 -17.382
  922    HG   SER 119           HG       SER 119 -12.630  -7.545 -15.611
  923    H    CYS 120           H        CYS 120 -12.940  -3.246 -14.634
  924    HA   CYS 120           HA       CYS 120 -14.769  -3.744 -12.385
  925    HB2  CYS 120           1HB      CYS 120 -12.175  -2.188 -12.517
  926    HB3  CYS 120           2HB      CYS 120 -13.003  -2.732 -11.062